============================
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
Q2H-I6-J04.mira.i2b
2013-11-22T03:31:26Z
Task 0 of 4096 (0,0,0,0,0,0) R2E-M1-N08-J04
Task 1 of 4096 (0,0,0,0,0,1) R2E-M1-N08-J04
Task 2 of 4096 (0,0,0,0,0,2) R2E-M1-N08-J04
Task 3 of 4096 (0,0,0,0,0,3) R2E-M1-N08-J04
Task 4 of 4096 (0,0,0,0,0,4) R2E-M1-N08-J04
Task 5 of 4096 (0,0,0,0,0,5) R2E-M1-N08-J04
Task 6 of 4096 (0,0,0,0,0,6) R2E-M1-N08-J04
Task 7 of 4096 (0,0,0,0,0,7) R2E-M1-N08-J04
Task 8 of 4096 (0,0,0,0,0,8) R2E-M1-N08-J04
Task 9 of 4096 (0,0,0,0,0,9) R2E-M1-N08-J04
Task 10 of 4096 (0,0,0,0,0,10) R2E-M1-N08-J04
Task 11 of 4096 (0,0,0,0,0,11) R2E-M1-N08-J04
Task 12 of 4096 (0,0,0,0,0,12) R2E-M1-N08-J04
Task 13 of 4096 (0,0,0,0,0,13) R2E-M1-N08-J04
Task 14 of 4096 (0,0,0,0,0,14) R2E-M1-N08-J04
Task 15 of 4096 (0,0,0,0,0,15) R2E-M1-N08-J04
Task 16 of 4096 (0,0,0,0,1,0) R2E-M1-N08-J03
Task 17 of 4096 (0,0,0,0,1,1) R2E-M1-N08-J03
Task 18 of 4096 (0,0,0,0,1,2) R2E-M1-N08-J03
Task 19 of 4096 (0,0,0,0,1,3) R2E-M1-N08-J03
Task 20 of 4096 (0,0,0,0,1,4) R2E-M1-N08-J03
Task 21 of 4096 (0,0,0,0,1,5) R2E-M1-N08-J03
Task 22 of 4096 (0,0,0,0,1,6) R2E-M1-N08-J03
Task 23 of 4096 (0,0,0,0,1,7) R2E-M1-N08-J03
Task 24 of 4096 (0,0,0,0,1,8) R2E-M1-N08-J03
Task 25 of 4096 (0,0,0,0,1,9) R2E-M1-N08-J03
Task 26 of 4096 (0,0,0,0,1,10) R2E-M1-N08-J03
Task 27 of 4096 (0,0,0,0,1,11) R2E-M1-N08-J03
Task 28 of 4096 (0,0,0,0,1,12) R2E-M1-N08-J03
Task 29 of 4096 (0,0,0,0,1,13) R2E-M1-N08-J03
Task 30 of 4096 (0,0,0,0,1,14) R2E-M1-N08-J03
Task 31 of 4096 (0,0,0,0,1,15) R2E-M1-N08-J03
Task 32 of 4096 (0,0,0,1,0,0) R2E-M1-N08-J08
Task 33 of 4096 (0,0,0,1,0,1) R2E-M1-N08-J08
Task 34 of 4096 (0,0,0,1,0,2) R2E-M1-N08-J08
Task 35 of 4096 (0,0,0,1,0,3) R2E-M1-N08-J08
Task 36 of 4096 (0,0,0,1,0,4) R2E-M1-N08-J08
Task 37 of 4096 (0,0,0,1,0,5) R2E-M1-N08-J08
Task 38 of 4096 (0,0,0,1,0,6) R2E-M1-N08-J08
Task 39 of 4096 (0,0,0,1,0,7) R2E-M1-N08-J08
Task 40 of 4096 (0,0,0,1,0,8) R2E-M1-N08-J08
Task 41 of 4096 (0,0,0,1,0,9) R2E-M1-N08-J08
Task 42 of 4096 (0,0,0,1,0,10) R2E-M1-N08-J08
Task 43 of 4096 (0,0,0,1,0,11) R2E-M1-N08-J08
Task 44 of 4096 (0,0,0,1,0,12) R2E-M1-N08-J08
Task 45 of 4096 (0,0,0,1,0,13) R2E-M1-N08-J08
Task 46 of 4096 (0,0,0,1,0,14) R2E-M1-N08-J08
Task 47 of 4096 (0,0,0,1,0,15) R2E-M1-N08-J08
Task 48 of 4096 (0,0,0,1,1,0) R2E-M1-N08-J15
Task 49 of 4096 (0,0,0,1,1,1) R2E-M1-N08-J15
Task 50 of 4096 (0,0,0,1,1,2) R2E-M1-N08-J15
Task 51 of 4096 (0,0,0,1,1,3) R2E-M1-N08-J15
Task 52 of 4096 (0,0,0,1,1,4) R2E-M1-N08-J15
Task 53 of 4096 (0,0,0,1,1,5) R2E-M1-N08-J15
Task 54 of 4096 (0,0,0,1,1,6) R2E-M1-N08-J15
Task 55 of 4096 (0,0,0,1,1,7) R2E-M1-N08-J15
Task 56 of 4096 (0,0,0,1,1,8) R2E-M1-N08-J15
Task 57 of 4096 (0,0,0,1,1,9) R2E-M1-N08-J15
Task 58 of 4096 (0,0,0,1,1,10) R2E-M1-N08-J15
Task 59 of 4096 (0,0,0,1,1,11) R2E-M1-N08-J15
Task 60 of 4096 (0,0,0,1,1,12) R2E-M1-N08-J15
Task 61 of 4096 (0,0,0,1,1,13) R2E-M1-N08-J15
Task 62 of 4096 (0,0,0,1,1,14) R2E-M1-N08-J15
Task 63 of 4096 (0,0,0,1,1,15) R2E-M1-N08-J15
Task 64 of 4096 (0,0,0,2,0,0) R2E-M1-N10-J08
Task 65 of 4096 (0,0,0,2,0,1) R2E-M1-N10-J08
Task 66 of 4096 (0,0,0,2,0,2) R2E-M1-N10-J08
Task 67 of 4096 (0,0,0,2,0,3) R2E-M1-N10-J08
Task 68 of 4096 (0,0,0,2,0,4) R2E-M1-N10-J08
Task 69 of 4096 (0,0,0,2,0,5) R2E-M1-N10-J08
Task 70 of 4096 (0,0,0,2,0,6) R2E-M1-N10-J08
Task 71 of 4096 (0,0,0,2,0,7) R2E-M1-N10-J08
Task 72 of 4096 (0,0,0,2,0,8) R2E-M1-N10-J08
Task 73 of 4096 (0,0,0,2,0,9) R2E-M1-N10-J08
Task 74 of 4096 (0,0,0,2,0,10) R2E-M1-N10-J08
Task 75 of 4096 (0,0,0,2,0,11) R2E-M1-N10-J08
Task 76 of 4096 (0,0,0,2,0,12) R2E-M1-N10-J08
Task 77 of 4096 (0,0,0,2,0,13) R2E-M1-N10-J08
Task 78 of 4096 (0,0,0,2,0,14) R2E-M1-N10-J08
Task 79 of 4096 (0,0,0,2,0,15) R2E-M1-N10-J08
Task 80 of 4096 (0,0,0,2,1,0) R2E-M1-N10-J15
Task 81 of 4096 (0,0,0,2,1,1) R2E-M1-N10-J15
Task 82 of 4096 (0,0,0,2,1,2) R2E-M1-N10-J15
Task 83 of 4096 (0,0,0,2,1,3) R2E-M1-N10-J15
Task 84 of 4096 (0,0,0,2,1,4) R2E-M1-N10-J15
Task 85 of 4096 (0,0,0,2,1,5) R2E-M1-N10-J15
Task 86 of 4096 (0,0,0,2,1,6) R2E-M1-N10-J15
Task 87 of 4096 (0,0,0,2,1,7) R2E-M1-N10-J15
Task 88 of 4096 (0,0,0,2,1,8) R2E-M1-N10-J15
Task 89 of 4096 (0,0,0,2,1,9) R2E-M1-N10-J15
Task 90 of 4096 (0,0,0,2,1,10) R2E-M1-N10-J15
Task 91 of 4096 (0,0,0,2,1,11) R2E-M1-N10-J15
Task 92 of 4096 (0,0,0,2,1,12) R2E-M1-N10-J15
Task 93 of 4096 (0,0,0,2,1,13) R2E-M1-N10-J15
Task 94 of 4096 (0,0,0,2,1,14) R2E-M1-N10-J15
Task 95 of 4096 (0,0,0,2,1,15) R2E-M1-N10-J15
Task 96 of 4096 (0,0,0,3,0,0) R2E-M1-N10-J04
Task 97 of 4096 (0,0,0,3,0,1) R2E-M1-N10-J04
Task 98 of 4096 (0,0,0,3,0,2) R2E-M1-N10-J04
Task 99 of 4096 (0,0,0,3,0,3) R2E-M1-N10-J04
Task 100 of 4096 (0,0,0,3,0,4) R2E-M1-N10-J04
Task 101 of 4096 (0,0,0,3,0,5) R2E-M1-N10-J04
Task 102 of 4096 (0,0,0,3,0,6) R2E-M1-N10-J04
Task 103 of 4096 (0,0,0,3,0,7) R2E-M1-N10-J04
Task 104 of 4096 (0,0,0,3,0,8) R2E-M1-N10-J04
Task 105 of 4096 (0,0,0,3,0,9) R2E-M1-N10-J04
Task 106 of 4096 (0,0,0,3,0,10) R2E-M1-N10-J04
Task 107 of 4096 (0,0,0,3,0,11) R2E-M1-N10-J04
Task 108 of 4096 (0,0,0,3,0,12) R2E-M1-N10-J04
Task 109 of 4096 (0,0,0,3,0,13) R2E-M1-N10-J04
Task 110 of 4096 (0,0,0,3,0,14) R2E-M1-N10-J04
Task 111 of 4096 (0,0,0,3,0,15) R2E-M1-N10-J04
Task 112 of 4096 (0,0,0,3,1,0) R2E-M1-N10-J03
Task 113 of 4096 (0,0,0,3,1,1) R2E-M1-N10-J03
Task 114 of 4096 (0,0,0,3,1,2) R2E-M1-N10-J03
Task 115 of 4096 (0,0,0,3,1,3) R2E-M1-N10-J03
Task 116 of 4096 (0,0,0,3,1,4) R2E-M1-N10-J03
Task 117 of 4096 (0,0,0,3,1,5) R2E-M1-N10-J03
Task 118 of 4096 (0,0,0,3,1,6) R2E-M1-N10-J03
Task 119 of 4096 (0,0,0,3,1,7) R2E-M1-N10-J03
Task 120 of 4096 (0,0,0,3,1,8) R2E-M1-N10-J03
Task 121 of 4096 (0,0,0,3,1,9) R2E-M1-N10-J03
Task 122 of 4096 (0,0,0,3,1,10) R2E-M1-N10-J03
Task 123 of 4096 (0,0,0,3,1,11) R2E-M1-N10-J03
Task 124 of 4096 (0,0,0,3,1,12) R2E-M1-N10-J03
Task 125 of 4096 (0,0,0,3,1,13) R2E-M1-N10-J03
Task 126 of 4096 (0,0,0,3,1,14) R2E-M1-N10-J03
Task 127 of 4096 (0,0,0,3,1,15) R2E-M1-N10-J03
Task 128 of 4096 (0,0,1,0,0,0) R2E-M1-N08-J05
Task 129 of 4096 (0,0,1,0,0,1) R2E-M1-N08-J05
Task 130 of 4096 (0,0,1,0,0,2) R2E-M1-N08-J05
Task 131 of 4096 (0,0,1,0,0,3) R2E-M1-N08-J05
Task 132 of 4096 (0,0,1,0,0,4) R2E-M1-N08-J05
Task 133 of 4096 (0,0,1,0,0,5) R2E-M1-N08-J05
Task 134 of 4096 (0,0,1,0,0,6) R2E-M1-N08-J05
Task 135 of 4096 (0,0,1,0,0,7) R2E-M1-N08-J05
Task 136 of 4096 (0,0,1,0,0,8) R2E-M1-N08-J05
Task 137 of 4096 (0,0,1,0,0,9) R2E-M1-N08-J05
Task 138 of 4096 (0,0,1,0,0,10) R2E-M1-N08-J05
Task 139 of 4096 (0,0,1,0,0,11) R2E-M1-N08-J05
Task 140 of 4096 (0,0,1,0,0,12) R2E-M1-N08-J05
Task 141 of 4096 (0,0,1,0,0,13) R2E-M1-N08-J05
Task 142 of 4096 (0,0,1,0,0,14) R2E-M1-N08-J05
Task 143 of 4096 (0,0,1,0,0,15) R2E-M1-N08-J05
Task 144 of 4096 (0,0,1,0,1,0) R2E-M1-N08-J02
Task 145 of 4096 (0,0,1,0,1,1) R2E-M1-N08-J02
Task 146 of 4096 (0,0,1,0,1,2) R2E-M1-N08-J02
Task 147 of 4096 (0,0,1,0,1,3) R2E-M1-N08-J02
Task 148 of 4096 (0,0,1,0,1,4) R2E-M1-N08-J02
Task 149 of 4096 (0,0,1,0,1,5) R2E-M1-N08-J02
Task 150 of 4096 (0,0,1,0,1,6) R2E-M1-N08-J02
Task 151 of 4096 (0,0,1,0,1,7) R2E-M1-N08-J02
Task 152 of 4096 (0,0,1,0,1,8) R2E-M1-N08-J02
Task 153 of 4096 (0,0,1,0,1,9) R2E-M1-N08-J02
Task 154 of 4096 (0,0,1,0,1,10) R2E-M1-N08-J02
Task 155 of 4096 (0,0,1,0,1,11) R2E-M1-N08-J02
Task 156 of 4096 (0,0,1,0,1,12) R2E-M1-N08-J02
Task 157 of 4096 (0,0,1,0,1,13) R2E-M1-N08-J02
Task 158 of 4096 (0,0,1,0,1,14) R2E-M1-N08-J02
Task 159 of 4096 (0,0,1,0,1,15) R2E-M1-N08-J02
Task 160 of 4096 (0,0,1,1,0,0) R2E-M1-N08-J09
Task 161 of 4096 (0,0,1,1,0,1) R2E-M1-N08-J09
Task 162 of 4096 (0,0,1,1,0,2) R2E-M1-N08-J09
Task 163 of 4096 (0,0,1,1,0,3) R2E-M1-N08-J09
Task 164 of 4096 (0,0,1,1,0,4) R2E-M1-N08-J09
Task 165 of 4096 (0,0,1,1,0,5) R2E-M1-N08-J09
Task 166 of 4096 (0,0,1,1,0,6) R2E-M1-N08-J09
Task 167 of 4096 (0,0,1,1,0,7) R2E-M1-N08-J09
Task 168 of 4096 (0,0,1,1,0,8) R2E-M1-N08-J09
Task 169 of 4096 (0,0,1,1,0,9) R2E-M1-N08-J09
Task 170 of 4096 (0,0,1,1,0,10) R2E-M1-N08-J09
Task 171 of 4096 (0,0,1,1,0,11) R2E-M1-N08-J09
Task 172 of 4096 (0,0,1,1,0,12) R2E-M1-N08-J09
Task 173 of 4096 (0,0,1,1,0,13) R2E-M1-N08-J09
Task 174 of 4096 (0,0,1,1,0,14) R2E-M1-N08-J09
Task 175 of 4096 (0,0,1,1,0,15) R2E-M1-N08-J09
Task 176 of 4096 (0,0,1,1,1,0) R2E-M1-N08-J14
Task 177 of 4096 (0,0,1,1,1,1) R2E-M1-N08-J14
Task 178 of 4096 (0,0,1,1,1,2) R2E-M1-N08-J14
Task 179 of 4096 (0,0,1,1,1,3) R2E-M1-N08-J14
Task 180 of 4096 (0,0,1,1,1,4) R2E-M1-N08-J14
Task 181 of 4096 (0,0,1,1,1,5) R2E-M1-N08-J14
Task 182 of 4096 (0,0,1,1,1,6) R2E-M1-N08-J14
Task 183 of 4096 (0,0,1,1,1,7) R2E-M1-N08-J14
Task 184 of 4096 (0,0,1,1,1,8) R2E-M1-N08-J14
Task 185 of 4096 (0,0,1,1,1,9) R2E-M1-N08-J14
Task 186 of 4096 (0,0,1,1,1,10) R2E-M1-N08-J14
Task 187 of 4096 (0,0,1,1,1,11) R2E-M1-N08-J14
Task 188 of 4096 (0,0,1,1,1,12) R2E-M1-N08-J14
Task 189 of 4096 (0,0,1,1,1,13) R2E-M1-N08-J14
Task 190 of 4096 (0,0,1,1,1,14) R2E-M1-N08-J14
Task 191 of 4096 (0,0,1,1,1,15) R2E-M1-N08-J14
Task 192 of 4096 (0,0,1,2,0,0) R2E-M1-N10-J09
Task 193 of 4096 (0,0,1,2,0,1) R2E-M1-N10-J09
Task 194 of 4096 (0,0,1,2,0,2) R2E-M1-N10-J09
Task 195 of 4096 (0,0,1,2,0,3) R2E-M1-N10-J09
Task 196 of 4096 (0,0,1,2,0,4) R2E-M1-N10-J09
Task 197 of 4096 (0,0,1,2,0,5) R2E-M1-N10-J09
Task 198 of 4096 (0,0,1,2,0,6) R2E-M1-N10-J09
Task 199 of 4096 (0,0,1,2,0,7) R2E-M1-N10-J09
Task 200 of 4096 (0,0,1,2,0,8) R2E-M1-N10-J09
Task 201 of 4096 (0,0,1,2,0,9) R2E-M1-N10-J09
Task 202 of 4096 (0,0,1,2,0,10) R2E-M1-N10-J09
Task 203 of 4096 (0,0,1,2,0,11) R2E-M1-N10-J09
Task 204 of 4096 (0,0,1,2,0,12) R2E-M1-N10-J09
Task 205 of 4096 (0,0,1,2,0,13) R2E-M1-N10-J09
Task 206 of 4096 (0,0,1,2,0,14) R2E-M1-N10-J09
Task 207 of 4096 (0,0,1,2,0,15) R2E-M1-N10-J09
Task 208 of 4096 (0,0,1,2,1,0) R2E-M1-N10-J14
Task 209 of 4096 (0,0,1,2,1,1) R2E-M1-N10-J14
Task 210 of 4096 (0,0,1,2,1,2) R2E-M1-N10-J14
Task 211 of 4096 (0,0,1,2,1,3) R2E-M1-N10-J14
Task 212 of 4096 (0,0,1,2,1,4) R2E-M1-N10-J14
Task 213 of 4096 (0,0,1,2,1,5) R2E-M1-N10-J14
Task 214 of 4096 (0,0,1,2,1,6) R2E-M1-N10-J14
Task 215 of 4096 (0,0,1,2,1,7) R2E-M1-N10-J14
Task 216 of 4096 (0,0,1,2,1,8) R2E-M1-N10-J14
Task 217 of 4096 (0,0,1,2,1,9) R2E-M1-N10-J14
Task 218 of 4096 (0,0,1,2,1,10) R2E-M1-N10-J14
Task 219 of 4096 (0,0,1,2,1,11) R2E-M1-N10-J14
Task 220 of 4096 (0,0,1,2,1,12) R2E-M1-N10-J14
Task 221 of 4096 (0,0,1,2,1,13) R2E-M1-N10-J14
Task 222 of 4096 (0,0,1,2,1,14) R2E-M1-N10-J14
Task 223 of 4096 (0,0,1,2,1,15) R2E-M1-N10-J14
Task 224 of 4096 (0,0,1,3,0,0) R2E-M1-N10-J05
Task 225 of 4096 (0,0,1,3,0,1) R2E-M1-N10-J05
Task 226 of 4096 (0,0,1,3,0,2) R2E-M1-N10-J05
Task 227 of 4096 (0,0,1,3,0,3) R2E-M1-N10-J05
Task 228 of 4096 (0,0,1,3,0,4) R2E-M1-N10-J05
Task 229 of 4096 (0,0,1,3,0,5) R2E-M1-N10-J05
Task 230 of 4096 (0,0,1,3,0,6) R2E-M1-N10-J05
Task 231 of 4096 (0,0,1,3,0,7) R2E-M1-N10-J05
Task 232 of 4096 (0,0,1,3,0,8) R2E-M1-N10-J05
Task 233 of 4096 (0,0,1,3,0,9) R2E-M1-N10-J05
Task 234 of 4096 (0,0,1,3,0,10) R2E-M1-N10-J05
Task 235 of 4096 (0,0,1,3,0,11) R2E-M1-N10-J05
Task 236 of 4096 (0,0,1,3,0,12) R2E-M1-N10-J05
Task 237 of 4096 (0,0,1,3,0,13) R2E-M1-N10-J05
Task 238 of 4096 (0,0,1,3,0,14) R2E-M1-N10-J05
Task 239 of 4096 (0,0,1,3,0,15) R2E-M1-N10-J05
Task 240 of 4096 (0,0,1,3,1,0) R2E-M1-N10-J02
Task 241 of 4096 (0,0,1,3,1,1) R2E-M1-N10-J02
Task 242 of 4096 (0,0,1,3,1,2) R2E-M1-N10-J02
Task 243 of 4096 (0,0,1,3,1,3) R2E-M1-N10-J02
Task 244 of 4096 (0,0,1,3,1,4) R2E-M1-N10-J02
Task 245 of 4096 (0,0,1,3,1,5) R2E-M1-N10-J02
Task 246 of 4096 (0,0,1,3,1,6) R2E-M1-N10-J02
Task 247 of 4096 (0,0,1,3,1,7) R2E-M1-N10-J02
Task 248 of 4096 (0,0,1,3,1,8) R2E-M1-N10-J02
Task 249 of 4096 (0,0,1,3,1,9) R2E-M1-N10-J02
Task 250 of 4096 (0,0,1,3,1,10) R2E-M1-N10-J02
Task 251 of 4096 (0,0,1,3,1,11) R2E-M1-N10-J02
Task 252 of 4096 (0,0,1,3,1,12) R2E-M1-N10-J02
Task 253 of 4096 (0,0,1,3,1,13) R2E-M1-N10-J02
Task 254 of 4096 (0,0,1,3,1,14) R2E-M1-N10-J02
Task 255 of 4096 (0,0,1,3,1,15) R2E-M1-N10-J02
Task 256 of 4096 (0,0,2,0,0,0) R2E-M1-N09-J05
Task 257 of 4096 (0,0,2,0,0,1) R2E-M1-N09-J05
Task 258 of 4096 (0,0,2,0,0,2) R2E-M1-N09-J05
Task 259 of 4096 (0,0,2,0,0,3) R2E-M1-N09-J05
Task 260 of 4096 (0,0,2,0,0,4) R2E-M1-N09-J05
Task 261 of 4096 (0,0,2,0,0,5) R2E-M1-N09-J05
Task 262 of 4096 (0,0,2,0,0,6) R2E-M1-N09-J05
Task 263 of 4096 (0,0,2,0,0,7) R2E-M1-N09-J05
Task 264 of 4096 (0,0,2,0,0,8) R2E-M1-N09-J05
Task 265 of 4096 (0,0,2,0,0,9) R2E-M1-N09-J05
Task 266 of 4096 (0,0,2,0,0,10) R2E-M1-N09-J05
Task 267 of 4096 (0,0,2,0,0,11) R2E-M1-N09-J05
Task 268 of 4096 (0,0,2,0,0,12) R2E-M1-N09-J05
Task 269 of 4096 (0,0,2,0,0,13) R2E-M1-N09-J05
Task 270 of 4096 (0,0,2,0,0,14) R2E-M1-N09-J05
Task 271 of 4096 (0,0,2,0,0,15) R2E-M1-N09-J05
Task 272 of 4096 (0,0,2,0,1,0) R2E-M1-N09-J02
Task 273 of 4096 (0,0,2,0,1,1) R2E-M1-N09-J02
Task 274 of 4096 (0,0,2,0,1,2) R2E-M1-N09-J02
Task 275 of 4096 (0,0,2,0,1,3) R2E-M1-N09-J02
Task 276 of 4096 (0,0,2,0,1,4) R2E-M1-N09-J02
Task 277 of 4096 (0,0,2,0,1,5) R2E-M1-N09-J02
Task 278 of 4096 (0,0,2,0,1,6) R2E-M1-N09-J02
Task 279 of 4096 (0,0,2,0,1,7) R2E-M1-N09-J02
Task 280 of 4096 (0,0,2,0,1,8) R2E-M1-N09-J02
Task 281 of 4096 (0,0,2,0,1,9) R2E-M1-N09-J02
Task 282 of 4096 (0,0,2,0,1,10) R2E-M1-N09-J02
Task 283 of 4096 (0,0,2,0,1,11) R2E-M1-N09-J02
Task 284 of 4096 (0,0,2,0,1,12) R2E-M1-N09-J02
Task 285 of 4096 (0,0,2,0,1,13) R2E-M1-N09-J02
Task 286 of 4096 (0,0,2,0,1,14) R2E-M1-N09-J02
Task 287 of 4096 (0,0,2,0,1,15) R2E-M1-N09-J02
Task 288 of 4096 (0,0,2,1,0,0) R2E-M1-N09-J09
Task 289 of 4096 (0,0,2,1,0,1) R2E-M1-N09-J09
Task 290 of 4096 (0,0,2,1,0,2) R2E-M1-N09-J09
Task 291 of 4096 (0,0,2,1,0,3) R2E-M1-N09-J09
Task 292 of 4096 (0,0,2,1,0,4) R2E-M1-N09-J09
Task 293 of 4096 (0,0,2,1,0,5) R2E-M1-N09-J09
Task 294 of 4096 (0,0,2,1,0,6) R2E-M1-N09-J09
Task 295 of 4096 (0,0,2,1,0,7) R2E-M1-N09-J09
Task 296 of 4096 (0,0,2,1,0,8) R2E-M1-N09-J09
Task 297 of 4096 (0,0,2,1,0,9) R2E-M1-N09-J09
Task 298 of 4096 (0,0,2,1,0,10) R2E-M1-N09-J09
Task 299 of 4096 (0,0,2,1,0,11) R2E-M1-N09-J09
Task 300 of 4096 (0,0,2,1,0,12) R2E-M1-N09-J09
Task 301 of 4096 (0,0,2,1,0,13) R2E-M1-N09-J09
Task 302 of 4096 (0,0,2,1,0,14) R2E-M1-N09-J09
Task 303 of 4096 (0,0,2,1,0,15) R2E-M1-N09-J09
Task 304 of 4096 (0,0,2,1,1,0) R2E-M1-N09-J14
Task 305 of 4096 (0,0,2,1,1,1) R2E-M1-N09-J14
Task 306 of 4096 (0,0,2,1,1,2) R2E-M1-N09-J14
Task 307 of 4096 (0,0,2,1,1,3) R2E-M1-N09-J14
Task 308 of 4096 (0,0,2,1,1,4) R2E-M1-N09-J14
Task 309 of 4096 (0,0,2,1,1,5) R2E-M1-N09-J14
Task 310 of 4096 (0,0,2,1,1,6) R2E-M1-N09-J14
Task 311 of 4096 (0,0,2,1,1,7) R2E-M1-N09-J14
Task 312 of 4096 (0,0,2,1,1,8) R2E-M1-N09-J14
Task 313 of 4096 (0,0,2,1,1,9) R2E-M1-N09-J14
Task 314 of 4096 (0,0,2,1,1,10) R2E-M1-N09-J14
Task 315 of 4096 (0,0,2,1,1,11) R2E-M1-N09-J14
Task 316 of 4096 (0,0,2,1,1,12) R2E-M1-N09-J14
Task 317 of 4096 (0,0,2,1,1,13) R2E-M1-N09-J14
Task 318 of 4096 (0,0,2,1,1,14) R2E-M1-N09-J14
Task 319 of 4096 (0,0,2,1,1,15) R2E-M1-N09-J14
Task 320 of 4096 (0,0,2,2,0,0) R2E-M1-N11-J09
Task 321 of 4096 (0,0,2,2,0,1) R2E-M1-N11-J09
Task 322 of 4096 (0,0,2,2,0,2) R2E-M1-N11-J09
Task 323 of 4096 (0,0,2,2,0,3) R2E-M1-N11-J09
Task 324 of 4096 (0,0,2,2,0,4) R2E-M1-N11-J09
Task 325 of 4096 (0,0,2,2,0,5) R2E-M1-N11-J09
Task 326 of 4096 (0,0,2,2,0,6) R2E-M1-N11-J09
Task 327 of 4096 (0,0,2,2,0,7) R2E-M1-N11-J09
Task 328 of 4096 (0,0,2,2,0,8) R2E-M1-N11-J09
Task 329 of 4096 (0,0,2,2,0,9) R2E-M1-N11-J09
Task 330 of 4096 (0,0,2,2,0,10) R2E-M1-N11-J09
Task 331 of 4096 (0,0,2,2,0,11) R2E-M1-N11-J09
Task 332 of 4096 (0,0,2,2,0,12) R2E-M1-N11-J09
Task 333 of 4096 (0,0,2,2,0,13) R2E-M1-N11-J09
Task 334 of 4096 (0,0,2,2,0,14) R2E-M1-N11-J09
Task 335 of 4096 (0,0,2,2,0,15) R2E-M1-N11-J09
Task 336 of 4096 (0,0,2,2,1,0) R2E-M1-N11-J14
Task 337 of 4096 (0,0,2,2,1,1) R2E-M1-N11-J14
Task 338 of 4096 (0,0,2,2,1,2) R2E-M1-N11-J14
Task 339 of 4096 (0,0,2,2,1,3) R2E-M1-N11-J14
Task 340 of 4096 (0,0,2,2,1,4) R2E-M1-N11-J14
Task 341 of 4096 (0,0,2,2,1,5) R2E-M1-N11-J14
Task 342 of 4096 (0,0,2,2,1,6) R2E-M1-N11-J14
Task 343 of 4096 (0,0,2,2,1,7) R2E-M1-N11-J14
Task 344 of 4096 (0,0,2,2,1,8) R2E-M1-N11-J14
Task 345 of 4096 (0,0,2,2,1,9) R2E-M1-N11-J14
Task 346 of 4096 (0,0,2,2,1,10) R2E-M1-N11-J14
Task 347 of 4096 (0,0,2,2,1,11) R2E-M1-N11-J14
Task 348 of 4096 (0,0,2,2,1,12) R2E-M1-N11-J14
Task 349 of 4096 (0,0,2,2,1,13) R2E-M1-N11-J14
Task 350 of 4096 (0,0,2,2,1,14) R2E-M1-N11-J14
Task 351 of 4096 (0,0,2,2,1,15) R2E-M1-N11-J14
Task 352 of 4096 (0,0,2,3,0,0) R2E-M1-N11-J05
Task 353 of 4096 (0,0,2,3,0,1) R2E-M1-N11-J05
Task 354 of 4096 (0,0,2,3,0,2) R2E-M1-N11-J05
Task 355 of 4096 (0,0,2,3,0,3) R2E-M1-N11-J05
Task 356 of 4096 (0,0,2,3,0,4) R2E-M1-N11-J05
Task 357 of 4096 (0,0,2,3,0,5) R2E-M1-N11-J05
Task 358 of 4096 (0,0,2,3,0,6) R2E-M1-N11-J05
Task 359 of 4096 (0,0,2,3,0,7) R2E-M1-N11-J05
Task 360 of 4096 (0,0,2,3,0,8) R2E-M1-N11-J05
Task 361 of 4096 (0,0,2,3,0,9) R2E-M1-N11-J05
Task 362 of 4096 (0,0,2,3,0,10) R2E-M1-N11-J05
Task 363 of 4096 (0,0,2,3,0,11) R2E-M1-N11-J05
Task 364 of 4096 (0,0,2,3,0,12) R2E-M1-N11-J05
Task 365 of 4096 (0,0,2,3,0,13) R2E-M1-N11-J05
Task 366 of 4096 (0,0,2,3,0,14) R2E-M1-N11-J05
Task 367 of 4096 (0,0,2,3,0,15) R2E-M1-N11-J05
Task 368 of 4096 (0,0,2,3,1,0) R2E-M1-N11-J02
Task 369 of 4096 (0,0,2,3,1,1) R2E-M1-N11-J02
Task 370 of 4096 (0,0,2,3,1,2) R2E-M1-N11-J02
Task 371 of 4096 (0,0,2,3,1,3) R2E-M1-N11-J02
Task 372 of 4096 (0,0,2,3,1,4) R2E-M1-N11-J02
Task 373 of 4096 (0,0,2,3,1,5) R2E-M1-N11-J02
Task 374 of 4096 (0,0,2,3,1,6) R2E-M1-N11-J02
Task 375 of 4096 (0,0,2,3,1,7) R2E-M1-N11-J02
Task 376 of 4096 (0,0,2,3,1,8) R2E-M1-N11-J02
Task 377 of 4096 (0,0,2,3,1,9) R2E-M1-N11-J02
Task 378 of 4096 (0,0,2,3,1,10) R2E-M1-N11-J02
Task 379 of 4096 (0,0,2,3,1,11) R2E-M1-N11-J02
Task 380 of 4096 (0,0,2,3,1,12) R2E-M1-N11-J02
Task 381 of 4096 (0,0,2,3,1,13) R2E-M1-N11-J02
Task 382 of 4096 (0,0,2,3,1,14) R2E-M1-N11-J02
Task 383 of 4096 (0,0,2,3,1,15) R2E-M1-N11-J02
Task 384 of 4096 (0,0,3,0,0,0) R2E-M1-N09-J04
Task 385 of 4096 (0,0,3,0,0,1) R2E-M1-N09-J04
Task 386 of 4096 (0,0,3,0,0,2) R2E-M1-N09-J04
Task 387 of 4096 (0,0,3,0,0,3) R2E-M1-N09-J04
Task 388 of 4096 (0,0,3,0,0,4) R2E-M1-N09-J04
Task 389 of 4096 (0,0,3,0,0,5) R2E-M1-N09-J04
Task 390 of 4096 (0,0,3,0,0,6) R2E-M1-N09-J04
Task 391 of 4096 (0,0,3,0,0,7) R2E-M1-N09-J04
Task 392 of 4096 (0,0,3,0,0,8) R2E-M1-N09-J04
Task 393 of 4096 (0,0,3,0,0,9) R2E-M1-N09-J04
Task 394 of 4096 (0,0,3,0,0,10) R2E-M1-N09-J04
Task 395 of 4096 (0,0,3,0,0,11) R2E-M1-N09-J04
Task 396 of 4096 (0,0,3,0,0,12) R2E-M1-N09-J04
Task 397 of 4096 (0,0,3,0,0,13) R2E-M1-N09-J04
Task 398 of 4096 (0,0,3,0,0,14) R2E-M1-N09-J04
Task 399 of 4096 (0,0,3,0,0,15) R2E-M1-N09-J04
Task 400 of 4096 (0,0,3,0,1,0) R2E-M1-N09-J03
Task 401 of 4096 (0,0,3,0,1,1) R2E-M1-N09-J03
Task 402 of 4096 (0,0,3,0,1,2) R2E-M1-N09-J03
Task 403 of 4096 (0,0,3,0,1,3) R2E-M1-N09-J03
Task 404 of 4096 (0,0,3,0,1,4) R2E-M1-N09-J03
Task 405 of 4096 (0,0,3,0,1,5) R2E-M1-N09-J03
Task 406 of 4096 (0,0,3,0,1,6) R2E-M1-N09-J03
Task 407 of 4096 (0,0,3,0,1,7) R2E-M1-N09-J03
Task 408 of 4096 (0,0,3,0,1,8) R2E-M1-N09-J03
Task 409 of 4096 (0,0,3,0,1,9) R2E-M1-N09-J03
Task 410 of 4096 (0,0,3,0,1,10) R2E-M1-N09-J03
Task 411 of 4096 (0,0,3,0,1,11) R2E-M1-N09-J03
Task 412 of 4096 (0,0,3,0,1,12) R2E-M1-N09-J03
Task 413 of 4096 (0,0,3,0,1,13) R2E-M1-N09-J03
Task 414 of 4096 (0,0,3,0,1,14) R2E-M1-N09-J03
Task 415 of 4096 (0,0,3,0,1,15) R2E-M1-N09-J03
Task 416 of 4096 (0,0,3,1,0,0) R2E-M1-N09-J08
Task 417 of 4096 (0,0,3,1,0,1) R2E-M1-N09-J08
Task 418 of 4096 (0,0,3,1,0,2) R2E-M1-N09-J08
Task 419 of 4096 (0,0,3,1,0,3) R2E-M1-N09-J08
Task 420 of 4096 (0,0,3,1,0,4) R2E-M1-N09-J08
Task 421 of 4096 (0,0,3,1,0,5) R2E-M1-N09-J08
Task 422 of 4096 (0,0,3,1,0,6) R2E-M1-N09-J08
Task 423 of 4096 (0,0,3,1,0,7) R2E-M1-N09-J08
Task 424 of 4096 (0,0,3,1,0,8) R2E-M1-N09-J08
Task 425 of 4096 (0,0,3,1,0,9) R2E-M1-N09-J08
Task 426 of 4096 (0,0,3,1,0,10) R2E-M1-N09-J08
Task 427 of 4096 (0,0,3,1,0,11) R2E-M1-N09-J08
Task 428 of 4096 (0,0,3,1,0,12) R2E-M1-N09-J08
Task 429 of 4096 (0,0,3,1,0,13) R2E-M1-N09-J08
Task 430 of 4096 (0,0,3,1,0,14) R2E-M1-N09-J08
Task 431 of 4096 (0,0,3,1,0,15) R2E-M1-N09-J08
Task 432 of 4096 (0,0,3,1,1,0) R2E-M1-N09-J15
Task 433 of 4096 (0,0,3,1,1,1) R2E-M1-N09-J15
Task 434 of 4096 (0,0,3,1,1,2) R2E-M1-N09-J15
Task 435 of 4096 (0,0,3,1,1,3) R2E-M1-N09-J15
Task 436 of 4096 (0,0,3,1,1,4) R2E-M1-N09-J15
Task 437 of 4096 (0,0,3,1,1,5) R2E-M1-N09-J15
Task 438 of 4096 (0,0,3,1,1,6) R2E-M1-N09-J15
Task 439 of 4096 (0,0,3,1,1,7) R2E-M1-N09-J15
Task 440 of 4096 (0,0,3,1,1,8) R2E-M1-N09-J15
Task 441 of 4096 (0,0,3,1,1,9) R2E-M1-N09-J15
Task 442 of 4096 (0,0,3,1,1,10) R2E-M1-N09-J15
Task 443 of 4096 (0,0,3,1,1,11) R2E-M1-N09-J15
Task 444 of 4096 (0,0,3,1,1,12) R2E-M1-N09-J15
Task 445 of 4096 (0,0,3,1,1,13) R2E-M1-N09-J15
Task 446 of 4096 (0,0,3,1,1,14) R2E-M1-N09-J15
Task 447 of 4096 (0,0,3,1,1,15) R2E-M1-N09-J15
Task 448 of 4096 (0,0,3,2,0,0) R2E-M1-N11-J08
Task 449 of 4096 (0,0,3,2,0,1) R2E-M1-N11-J08
Task 450 of 4096 (0,0,3,2,0,2) R2E-M1-N11-J08
Task 451 of 4096 (0,0,3,2,0,3) R2E-M1-N11-J08
Task 452 of 4096 (0,0,3,2,0,4) R2E-M1-N11-J08
Task 453 of 4096 (0,0,3,2,0,5) R2E-M1-N11-J08
Task 454 of 4096 (0,0,3,2,0,6) R2E-M1-N11-J08
Task 455 of 4096 (0,0,3,2,0,7) R2E-M1-N11-J08
Task 456 of 4096 (0,0,3,2,0,8) R2E-M1-N11-J08
Task 457 of 4096 (0,0,3,2,0,9) R2E-M1-N11-J08
Task 458 of 4096 (0,0,3,2,0,10) R2E-M1-N11-J08
Task 459 of 4096 (0,0,3,2,0,11) R2E-M1-N11-J08
Task 460 of 4096 (0,0,3,2,0,12) R2E-M1-N11-J08
Task 461 of 4096 (0,0,3,2,0,13) R2E-M1-N11-J08
Task 462 of 4096 (0,0,3,2,0,14) R2E-M1-N11-J08
Task 463 of 4096 (0,0,3,2,0,15) R2E-M1-N11-J08
Task 464 of 4096 (0,0,3,2,1,0) R2E-M1-N11-J15
Task 465 of 4096 (0,0,3,2,1,1) R2E-M1-N11-J15
Task 466 of 4096 (0,0,3,2,1,2) R2E-M1-N11-J15
Task 467 of 4096 (0,0,3,2,1,3) R2E-M1-N11-J15
Task 468 of 4096 (0,0,3,2,1,4) R2E-M1-N11-J15
Task 469 of 4096 (0,0,3,2,1,5) R2E-M1-N11-J15
Task 470 of 4096 (0,0,3,2,1,6) R2E-M1-N11-J15
Task 471 of 4096 (0,0,3,2,1,7) R2E-M1-N11-J15
Task 472 of 4096 (0,0,3,2,1,8) R2E-M1-N11-J15
Task 473 of 4096 (0,0,3,2,1,9) R2E-M1-N11-J15
Task 474 of 4096 (0,0,3,2,1,10) R2E-M1-N11-J15
Task 475 of 4096 (0,0,3,2,1,11) R2E-M1-N11-J15
Task 476 of 4096 (0,0,3,2,1,12) R2E-M1-N11-J15
Task 477 of 4096 (0,0,3,2,1,13) R2E-M1-N11-J15
Task 478 of 4096 (0,0,3,2,1,14) R2E-M1-N11-J15
Task 479 of 4096 (0,0,3,2,1,15) R2E-M1-N11-J15
Task 480 of 4096 (0,0,3,3,0,0) R2E-M1-N11-J04
Task 481 of 4096 (0,0,3,3,0,1) R2E-M1-N11-J04
Task 482 of 4096 (0,0,3,3,0,2) R2E-M1-N11-J04
Task 483 of 4096 (0,0,3,3,0,3) R2E-M1-N11-J04
Task 484 of 4096 (0,0,3,3,0,4) R2E-M1-N11-J04
Task 485 of 4096 (0,0,3,3,0,5) R2E-M1-N11-J04
Task 486 of 4096 (0,0,3,3,0,6) R2E-M1-N11-J04
Task 487 of 4096 (0,0,3,3,0,7) R2E-M1-N11-J04
Task 488 of 4096 (0,0,3,3,0,8) R2E-M1-N11-J04
Task 489 of 4096 (0,0,3,3,0,9) R2E-M1-N11-J04
Task 490 of 4096 (0,0,3,3,0,10) R2E-M1-N11-J04
Task 491 of 4096 (0,0,3,3,0,11) R2E-M1-N11-J04
Task 492 of 4096 (0,0,3,3,0,12) R2E-M1-N11-J04
Task 493 of 4096 (0,0,3,3,0,13) R2E-M1-N11-J04
Task 494 of 4096 (0,0,3,3,0,14) R2E-M1-N11-J04
Task 495 of 4096 (0,0,3,3,0,15) R2E-M1-N11-J04
Task 496 of 4096 (0,0,3,3,1,0) R2E-M1-N11-J03
Task 497 of 4096 (0,0,3,3,1,1) R2E-M1-N11-J03
Task 498 of 4096 (0,0,3,3,1,2) R2E-M1-N11-J03
Task 499 of 4096 (0,0,3,3,1,3) R2E-M1-N11-J03
Task 500 of 4096 (0,0,3,3,1,4) R2E-M1-N11-J03
Task 501 of 4096 (0,0,3,3,1,5) R2E-M1-N11-J03
Task 502 of 4096 (0,0,3,3,1,6) R2E-M1-N11-J03
Task 503 of 4096 (0,0,3,3,1,7) R2E-M1-N11-J03
Task 504 of 4096 (0,0,3,3,1,8) R2E-M1-N11-J03
Task 505 of 4096 (0,0,3,3,1,9) R2E-M1-N11-J03
Task 506 of 4096 (0,0,3,3,1,10) R2E-M1-N11-J03
Task 507 of 4096 (0,0,3,3,1,11) R2E-M1-N11-J03
Task 508 of 4096 (0,0,3,3,1,12) R2E-M1-N11-J03
Task 509 of 4096 (0,0,3,3,1,13) R2E-M1-N11-J03
Task 510 of 4096 (0,0,3,3,1,14) R2E-M1-N11-J03
Task 511 of 4096 (0,0,3,3,1,15) R2E-M1-N11-J03
Task 512 of 4096 (0,1,0,0,0,0) R2E-M1-N08-J07
Task 513 of 4096 (0,1,0,0,0,1) R2E-M1-N08-J07
Task 514 of 4096 (0,1,0,0,0,2) R2E-M1-N08-J07
Task 515 of 4096 (0,1,0,0,0,3) R2E-M1-N08-J07
Task 516 of 4096 (0,1,0,0,0,4) R2E-M1-N08-J07
Task 517 of 4096 (0,1,0,0,0,5) R2E-M1-N08-J07
Task 518 of 4096 (0,1,0,0,0,6) R2E-M1-N08-J07
Task 519 of 4096 (0,1,0,0,0,7) R2E-M1-N08-J07
Task 520 of 4096 (0,1,0,0,0,8) R2E-M1-N08-J07
Task 521 of 4096 (0,1,0,0,0,9) R2E-M1-N08-J07
Task 522 of 4096 (0,1,0,0,0,10) R2E-M1-N08-J07
Task 523 of 4096 (0,1,0,0,0,11) R2E-M1-N08-J07
Task 524 of 4096 (0,1,0,0,0,12) R2E-M1-N08-J07
Task 525 of 4096 (0,1,0,0,0,13) R2E-M1-N08-J07
Task 526 of 4096 (0,1,0,0,0,14) R2E-M1-N08-J07
Task 527 of 4096 (0,1,0,0,0,15) R2E-M1-N08-J07
Task 528 of 4096 (0,1,0,0,1,0) R2E-M1-N08-J00
Task 529 of 4096 (0,1,0,0,1,1) R2E-M1-N08-J00
Task 530 of 4096 (0,1,0,0,1,2) R2E-M1-N08-J00
Task 531 of 4096 (0,1,0,0,1,3) R2E-M1-N08-J00
Task 532 of 4096 (0,1,0,0,1,4) R2E-M1-N08-J00
Task 533 of 4096 (0,1,0,0,1,5) R2E-M1-N08-J00
Task 534 of 4096 (0,1,0,0,1,6) R2E-M1-N08-J00
Task 535 of 4096 (0,1,0,0,1,7) R2E-M1-N08-J00
Task 536 of 4096 (0,1,0,0,1,8) R2E-M1-N08-J00
Task 537 of 4096 (0,1,0,0,1,9) R2E-M1-N08-J00
Task 538 of 4096 (0,1,0,0,1,10) R2E-M1-N08-J00
Task 539 of 4096 (0,1,0,0,1,11) R2E-M1-N08-J00
Task 540 of 4096 (0,1,0,0,1,12) R2E-M1-N08-J00
Task 541 of 4096 (0,1,0,0,1,13) R2E-M1-N08-J00
Task 542 of 4096 (0,1,0,0,1,14) R2E-M1-N08-J00
Task 543 of 4096 (0,1,0,0,1,15) R2E-M1-N08-J00
Task 544 of 4096 (0,1,0,1,0,0) R2E-M1-N08-J11
Task 545 of 4096 (0,1,0,1,0,1) R2E-M1-N08-J11
Task 546 of 4096 (0,1,0,1,0,2) R2E-M1-N08-J11
Task 547 of 4096 (0,1,0,1,0,3) R2E-M1-N08-J11
Task 548 of 4096 (0,1,0,1,0,4) R2E-M1-N08-J11
Task 549 of 4096 (0,1,0,1,0,5) R2E-M1-N08-J11
Task 550 of 4096 (0,1,0,1,0,6) R2E-M1-N08-J11
Task 551 of 4096 (0,1,0,1,0,7) R2E-M1-N08-J11
Task 552 of 4096 (0,1,0,1,0,8) R2E-M1-N08-J11
Task 553 of 4096 (0,1,0,1,0,9) R2E-M1-N08-J11
Task 554 of 4096 (0,1,0,1,0,10) R2E-M1-N08-J11
Task 555 of 4096 (0,1,0,1,0,11) R2E-M1-N08-J11
Task 556 of 4096 (0,1,0,1,0,12) R2E-M1-N08-J11
Task 557 of 4096 (0,1,0,1,0,13) R2E-M1-N08-J11
Task 558 of 4096 (0,1,0,1,0,14) R2E-M1-N08-J11
Task 559 of 4096 (0,1,0,1,0,15) R2E-M1-N08-J11
Task 560 of 4096 (0,1,0,1,1,0) R2E-M1-N08-J12
Task 561 of 4096 (0,1,0,1,1,1) R2E-M1-N08-J12
Task 562 of 4096 (0,1,0,1,1,2) R2E-M1-N08-J12
Task 563 of 4096 (0,1,0,1,1,3) R2E-M1-N08-J12
Task 564 of 4096 (0,1,0,1,1,4) R2E-M1-N08-J12
Task 565 of 4096 (0,1,0,1,1,5) R2E-M1-N08-J12
Task 566 of 4096 (0,1,0,1,1,6) R2E-M1-N08-J12
Task 567 of 4096 (0,1,0,1,1,7) R2E-M1-N08-J12
Task 568 of 4096 (0,1,0,1,1,8) R2E-M1-N08-J12
Task 569 of 4096 (0,1,0,1,1,9) R2E-M1-N08-J12
Task 570 of 4096 (0,1,0,1,1,10) R2E-M1-N08-J12
Task 571 of 4096 (0,1,0,1,1,11) R2E-M1-N08-J12
Task 572 of 4096 (0,1,0,1,1,12) R2E-M1-N08-J12
Task 573 of 4096 (0,1,0,1,1,13) R2E-M1-N08-J12
Task 574 of 4096 (0,1,0,1,1,14) R2E-M1-N08-J12
Task 575 of 4096 (0,1,0,1,1,15) R2E-M1-N08-J12
Task 576 of 4096 (0,1,0,2,0,0) R2E-M1-N10-J11
Task 577 of 4096 (0,1,0,2,0,1) R2E-M1-N10-J11
Task 578 of 4096 (0,1,0,2,0,2) R2E-M1-N10-J11
Task 579 of 4096 (0,1,0,2,0,3) R2E-M1-N10-J11
Task 580 of 4096 (0,1,0,2,0,4) R2E-M1-N10-J11
Task 581 of 4096 (0,1,0,2,0,5) R2E-M1-N10-J11
Task 582 of 4096 (0,1,0,2,0,6) R2E-M1-N10-J11
Task 583 of 4096 (0,1,0,2,0,7) R2E-M1-N10-J11
Task 584 of 4096 (0,1,0,2,0,8) R2E-M1-N10-J11
Task 585 of 4096 (0,1,0,2,0,9) R2E-M1-N10-J11
Task 586 of 4096 (0,1,0,2,0,10) R2E-M1-N10-J11
Task 587 of 4096 (0,1,0,2,0,11) R2E-M1-N10-J11
Task 588 of 4096 (0,1,0,2,0,12) R2E-M1-N10-J11
Task 589 of 4096 (0,1,0,2,0,13) R2E-M1-N10-J11
Task 590 of 4096 (0,1,0,2,0,14) R2E-M1-N10-J11
Task 591 of 4096 (0,1,0,2,0,15) R2E-M1-N10-J11
Task 592 of 4096 (0,1,0,2,1,0) R2E-M1-N10-J12
Task 593 of 4096 (0,1,0,2,1,1) R2E-M1-N10-J12
Task 594 of 4096 (0,1,0,2,1,2) R2E-M1-N10-J12
Task 595 of 4096 (0,1,0,2,1,3) R2E-M1-N10-J12
Task 596 of 4096 (0,1,0,2,1,4) R2E-M1-N10-J12
Task 597 of 4096 (0,1,0,2,1,5) R2E-M1-N10-J12
Task 598 of 4096 (0,1,0,2,1,6) R2E-M1-N10-J12
Task 599 of 4096 (0,1,0,2,1,7) R2E-M1-N10-J12
Task 600 of 4096 (0,1,0,2,1,8) R2E-M1-N10-J12
Task 601 of 4096 (0,1,0,2,1,9) R2E-M1-N10-J12
Task 602 of 4096 (0,1,0,2,1,10) R2E-M1-N10-J12
Task 603 of 4096 (0,1,0,2,1,11) R2E-M1-N10-J12
Task 604 of 4096 (0,1,0,2,1,12) R2E-M1-N10-J12
Task 605 of 4096 (0,1,0,2,1,13) R2E-M1-N10-J12
Task 606 of 4096 (0,1,0,2,1,14) R2E-M1-N10-J12
Task 607 of 4096 (0,1,0,2,1,15) R2E-M1-N10-J12
Task 608 of 4096 (0,1,0,3,0,0) R2E-M1-N10-J07
Task 609 of 4096 (0,1,0,3,0,1) R2E-M1-N10-J07
Task 610 of 4096 (0,1,0,3,0,2) R2E-M1-N10-J07
Task 611 of 4096 (0,1,0,3,0,3) R2E-M1-N10-J07
Task 612 of 4096 (0,1,0,3,0,4) R2E-M1-N10-J07
Task 613 of 4096 (0,1,0,3,0,5) R2E-M1-N10-J07
Task 614 of 4096 (0,1,0,3,0,6) R2E-M1-N10-J07
Task 615 of 4096 (0,1,0,3,0,7) R2E-M1-N10-J07
Task 616 of 4096 (0,1,0,3,0,8) R2E-M1-N10-J07
Task 617 of 4096 (0,1,0,3,0,9) R2E-M1-N10-J07
Task 618 of 4096 (0,1,0,3,0,10) R2E-M1-N10-J07
Task 619 of 4096 (0,1,0,3,0,11) R2E-M1-N10-J07
Task 620 of 4096 (0,1,0,3,0,12) R2E-M1-N10-J07
Task 621 of 4096 (0,1,0,3,0,13) R2E-M1-N10-J07
Task 622 of 4096 (0,1,0,3,0,14) R2E-M1-N10-J07
Task 623 of 4096 (0,1,0,3,0,15) R2E-M1-N10-J07
Task 624 of 4096 (0,1,0,3,1,0) R2E-M1-N10-J00
Task 625 of 4096 (0,1,0,3,1,1) R2E-M1-N10-J00
Task 626 of 4096 (0,1,0,3,1,2) R2E-M1-N10-J00
Task 627 of 4096 (0,1,0,3,1,3) R2E-M1-N10-J00
Task 628 of 4096 (0,1,0,3,1,4) R2E-M1-N10-J00
Task 629 of 4096 (0,1,0,3,1,5) R2E-M1-N10-J00
Task 630 of 4096 (0,1,0,3,1,6) R2E-M1-N10-J00
Task 631 of 4096 (0,1,0,3,1,7) R2E-M1-N10-J00
Task 632 of 4096 (0,1,0,3,1,8) R2E-M1-N10-J00
Task 633 of 4096 (0,1,0,3,1,9) R2E-M1-N10-J00
Task 634 of 4096 (0,1,0,3,1,10) R2E-M1-N10-J00
Task 635 of 4096 (0,1,0,3,1,11) R2E-M1-N10-J00
Task 636 of 4096 (0,1,0,3,1,12) R2E-M1-N10-J00
Task 637 of 4096 (0,1,0,3,1,13) R2E-M1-N10-J00
Task 638 of 4096 (0,1,0,3,1,14) R2E-M1-N10-J00
Task 639 of 4096 (0,1,0,3,1,15) R2E-M1-N10-J00
Task 640 of 4096 (0,1,1,0,0,0) R2E-M1-N08-J06
Task 641 of 4096 (0,1,1,0,0,1) R2E-M1-N08-J06
Task 642 of 4096 (0,1,1,0,0,2) R2E-M1-N08-J06
Task 643 of 4096 (0,1,1,0,0,3) R2E-M1-N08-J06
Task 644 of 4096 (0,1,1,0,0,4) R2E-M1-N08-J06
Task 645 of 4096 (0,1,1,0,0,5) R2E-M1-N08-J06
Task 646 of 4096 (0,1,1,0,0,6) R2E-M1-N08-J06
Task 647 of 4096 (0,1,1,0,0,7) R2E-M1-N08-J06
Task 648 of 4096 (0,1,1,0,0,8) R2E-M1-N08-J06
Task 649 of 4096 (0,1,1,0,0,9) R2E-M1-N08-J06
Task 650 of 4096 (0,1,1,0,0,10) R2E-M1-N08-J06
Task 651 of 4096 (0,1,1,0,0,11) R2E-M1-N08-J06
Task 652 of 4096 (0,1,1,0,0,12) R2E-M1-N08-J06
Task 653 of 4096 (0,1,1,0,0,13) R2E-M1-N08-J06
Task 654 of 4096 (0,1,1,0,0,14) R2E-M1-N08-J06
Task 655 of 4096 (0,1,1,0,0,15) R2E-M1-N08-J06
Task 656 of 4096 (0,1,1,0,1,0) R2E-M1-N08-J01
Task 657 of 4096 (0,1,1,0,1,1) R2E-M1-N08-J01
Task 658 of 4096 (0,1,1,0,1,2) R2E-M1-N08-J01
Task 659 of 4096 (0,1,1,0,1,3) R2E-M1-N08-J01
Task 660 of 4096 (0,1,1,0,1,4) R2E-M1-N08-J01
Task 661 of 4096 (0,1,1,0,1,5) R2E-M1-N08-J01
Task 662 of 4096 (0,1,1,0,1,6) R2E-M1-N08-J01
Task 663 of 4096 (0,1,1,0,1,7) R2E-M1-N08-J01
Task 664 of 4096 (0,1,1,0,1,8) R2E-M1-N08-J01
Task 665 of 4096 (0,1,1,0,1,9) R2E-M1-N08-J01
Task 666 of 4096 (0,1,1,0,1,10) R2E-M1-N08-J01
Task 667 of 4096 (0,1,1,0,1,11) R2E-M1-N08-J01
Task 668 of 4096 (0,1,1,0,1,12) R2E-M1-N08-J01
Task 669 of 4096 (0,1,1,0,1,13) R2E-M1-N08-J01
Task 670 of 4096 (0,1,1,0,1,14) R2E-M1-N08-J01
Task 671 of 4096 (0,1,1,0,1,15) R2E-M1-N08-J01
Task 672 of 4096 (0,1,1,1,0,0) R2E-M1-N08-J10
Task 673 of 4096 (0,1,1,1,0,1) R2E-M1-N08-J10
Task 674 of 4096 (0,1,1,1,0,2) R2E-M1-N08-J10
Task 675 of 4096 (0,1,1,1,0,3) R2E-M1-N08-J10
Task 676 of 4096 (0,1,1,1,0,4) R2E-M1-N08-J10
Task 677 of 4096 (0,1,1,1,0,5) R2E-M1-N08-J10
Task 678 of 4096 (0,1,1,1,0,6) R2E-M1-N08-J10
Task 679 of 4096 (0,1,1,1,0,7) R2E-M1-N08-J10
Task 680 of 4096 (0,1,1,1,0,8) R2E-M1-N08-J10
Task 681 of 4096 (0,1,1,1,0,9) R2E-M1-N08-J10
Task 682 of 4096 (0,1,1,1,0,10) R2E-M1-N08-J10
Task 683 of 4096 (0,1,1,1,0,11) R2E-M1-N08-J10
Task 684 of 4096 (0,1,1,1,0,12) R2E-M1-N08-J10
Task 685 of 4096 (0,1,1,1,0,13) R2E-M1-N08-J10
Task 686 of 4096 (0,1,1,1,0,14) R2E-M1-N08-J10
Task 687 of 4096 (0,1,1,1,0,15) R2E-M1-N08-J10
Task 688 of 4096 (0,1,1,1,1,0) R2E-M1-N08-J13
Task 689 of 4096 (0,1,1,1,1,1) R2E-M1-N08-J13
Task 690 of 4096 (0,1,1,1,1,2) R2E-M1-N08-J13
Task 691 of 4096 (0,1,1,1,1,3) R2E-M1-N08-J13
Task 692 of 4096 (0,1,1,1,1,4) R2E-M1-N08-J13
Task 693 of 4096 (0,1,1,1,1,5) R2E-M1-N08-J13
Task 694 of 4096 (0,1,1,1,1,6) R2E-M1-N08-J13
Task 695 of 4096 (0,1,1,1,1,7) R2E-M1-N08-J13
Task 696 of 4096 (0,1,1,1,1,8) R2E-M1-N08-J13
Task 697 of 4096 (0,1,1,1,1,9) R2E-M1-N08-J13
Task 698 of 4096 (0,1,1,1,1,10) R2E-M1-N08-J13
Task 699 of 4096 (0,1,1,1,1,11) R2E-M1-N08-J13
Task 700 of 4096 (0,1,1,1,1,12) R2E-M1-N08-J13
Task 701 of 4096 (0,1,1,1,1,13) R2E-M1-N08-J13
Task 702 of 4096 (0,1,1,1,1,14) R2E-M1-N08-J13
Task 703 of 4096 (0,1,1,1,1,15) R2E-M1-N08-J13
Task 704 of 4096 (0,1,1,2,0,0) R2E-M1-N10-J10
Task 705 of 4096 (0,1,1,2,0,1) R2E-M1-N10-J10
Task 706 of 4096 (0,1,1,2,0,2) R2E-M1-N10-J10
Task 707 of 4096 (0,1,1,2,0,3) R2E-M1-N10-J10
Task 708 of 4096 (0,1,1,2,0,4) R2E-M1-N10-J10
Task 709 of 4096 (0,1,1,2,0,5) R2E-M1-N10-J10
Task 710 of 4096 (0,1,1,2,0,6) R2E-M1-N10-J10
Task 711 of 4096 (0,1,1,2,0,7) R2E-M1-N10-J10
Task 712 of 4096 (0,1,1,2,0,8) R2E-M1-N10-J10
Task 713 of 4096 (0,1,1,2,0,9) R2E-M1-N10-J10
Task 714 of 4096 (0,1,1,2,0,10) R2E-M1-N10-J10
Task 715 of 4096 (0,1,1,2,0,11) R2E-M1-N10-J10
Task 716 of 4096 (0,1,1,2,0,12) R2E-M1-N10-J10
Task 717 of 4096 (0,1,1,2,0,13) R2E-M1-N10-J10
Task 718 of 4096 (0,1,1,2,0,14) R2E-M1-N10-J10
Task 719 of 4096 (0,1,1,2,0,15) R2E-M1-N10-J10
Task 720 of 4096 (0,1,1,2,1,0) R2E-M1-N10-J13
Task 721 of 4096 (0,1,1,2,1,1) R2E-M1-N10-J13
Task 722 of 4096 (0,1,1,2,1,2) R2E-M1-N10-J13
Task 723 of 4096 (0,1,1,2,1,3) R2E-M1-N10-J13
Task 724 of 4096 (0,1,1,2,1,4) R2E-M1-N10-J13
Task 725 of 4096 (0,1,1,2,1,5) R2E-M1-N10-J13
Task 726 of 4096 (0,1,1,2,1,6) R2E-M1-N10-J13
Task 727 of 4096 (0,1,1,2,1,7) R2E-M1-N10-J13
Task 728 of 4096 (0,1,1,2,1,8) R2E-M1-N10-J13
Task 729 of 4096 (0,1,1,2,1,9) R2E-M1-N10-J13
Task 730 of 4096 (0,1,1,2,1,10) R2E-M1-N10-J13
Task 731 of 4096 (0,1,1,2,1,11) R2E-M1-N10-J13
Task 732 of 4096 (0,1,1,2,1,12) R2E-M1-N10-J13
Task 733 of 4096 (0,1,1,2,1,13) R2E-M1-N10-J13
Task 734 of 4096 (0,1,1,2,1,14) R2E-M1-N10-J13
Task 735 of 4096 (0,1,1,2,1,15) R2E-M1-N10-J13
Task 736 of 4096 (0,1,1,3,0,0) R2E-M1-N10-J06
Task 737 of 4096 (0,1,1,3,0,1) R2E-M1-N10-J06
Task 738 of 4096 (0,1,1,3,0,2) R2E-M1-N10-J06
Task 739 of 4096 (0,1,1,3,0,3) R2E-M1-N10-J06
Task 740 of 4096 (0,1,1,3,0,4) R2E-M1-N10-J06
Task 741 of 4096 (0,1,1,3,0,5) R2E-M1-N10-J06
Task 742 of 4096 (0,1,1,3,0,6) R2E-M1-N10-J06
Task 743 of 4096 (0,1,1,3,0,7) R2E-M1-N10-J06
Task 744 of 4096 (0,1,1,3,0,8) R2E-M1-N10-J06
Task 745 of 4096 (0,1,1,3,0,9) R2E-M1-N10-J06
Task 746 of 4096 (0,1,1,3,0,10) R2E-M1-N10-J06
Task 747 of 4096 (0,1,1,3,0,11) R2E-M1-N10-J06
Task 748 of 4096 (0,1,1,3,0,12) R2E-M1-N10-J06
Task 749 of 4096 (0,1,1,3,0,13) R2E-M1-N10-J06
Task 750 of 4096 (0,1,1,3,0,14) R2E-M1-N10-J06
Task 751 of 4096 (0,1,1,3,0,15) R2E-M1-N10-J06
Task 752 of 4096 (0,1,1,3,1,0) R2E-M1-N10-J01
Task 753 of 4096 (0,1,1,3,1,1) R2E-M1-N10-J01
Task 754 of 4096 (0,1,1,3,1,2) R2E-M1-N10-J01
Task 755 of 4096 (0,1,1,3,1,3) R2E-M1-N10-J01
Task 756 of 4096 (0,1,1,3,1,4) R2E-M1-N10-J01
Task 757 of 4096 (0,1,1,3,1,5) R2E-M1-N10-J01
Task 758 of 4096 (0,1,1,3,1,6) R2E-M1-N10-J01
Task 759 of 4096 (0,1,1,3,1,7) R2E-M1-N10-J01
Task 760 of 4096 (0,1,1,3,1,8) R2E-M1-N10-J01
Task 761 of 4096 (0,1,1,3,1,9) R2E-M1-N10-J01
Task 762 of 4096 (0,1,1,3,1,10) R2E-M1-N10-J01
Task 763 of 4096 (0,1,1,3,1,11) R2E-M1-N10-J01
Task 764 of 4096 (0,1,1,3,1,12) R2E-M1-N10-J01
Task 765 of 4096 (0,1,1,3,1,13) R2E-M1-N10-J01
Task 766 of 4096 (0,1,1,3,1,14) R2E-M1-N10-J01
Task 767 of 4096 (0,1,1,3,1,15) R2E-M1-N10-J01
Task 768 of 4096 (0,1,2,0,0,0) R2E-M1-N09-J06
Task 769 of 4096 (0,1,2,0,0,1) R2E-M1-N09-J06
Task 770 of 4096 (0,1,2,0,0,2) R2E-M1-N09-J06
Task 771 of 4096 (0,1,2,0,0,3) R2E-M1-N09-J06
Task 772 of 4096 (0,1,2,0,0,4) R2E-M1-N09-J06
Task 773 of 4096 (0,1,2,0,0,5) R2E-M1-N09-J06
Task 774 of 4096 (0,1,2,0,0,6) R2E-M1-N09-J06
Task 775 of 4096 (0,1,2,0,0,7) R2E-M1-N09-J06
Task 776 of 4096 (0,1,2,0,0,8) R2E-M1-N09-J06
Task 777 of 4096 (0,1,2,0,0,9) R2E-M1-N09-J06
Task 778 of 4096 (0,1,2,0,0,10) R2E-M1-N09-J06
Task 779 of 4096 (0,1,2,0,0,11) R2E-M1-N09-J06
Task 780 of 4096 (0,1,2,0,0,12) R2E-M1-N09-J06
Task 781 of 4096 (0,1,2,0,0,13) R2E-M1-N09-J06
Task 782 of 4096 (0,1,2,0,0,14) R2E-M1-N09-J06
Task 783 of 4096 (0,1,2,0,0,15) R2E-M1-N09-J06
Task 784 of 4096 (0,1,2,0,1,0) R2E-M1-N09-J01
Task 785 of 4096 (0,1,2,0,1,1) R2E-M1-N09-J01
Task 786 of 4096 (0,1,2,0,1,2) R2E-M1-N09-J01
Task 787 of 4096 (0,1,2,0,1,3) R2E-M1-N09-J01
Task 788 of 4096 (0,1,2,0,1,4) R2E-M1-N09-J01
Task 789 of 4096 (0,1,2,0,1,5) R2E-M1-N09-J01
Task 790 of 4096 (0,1,2,0,1,6) R2E-M1-N09-J01
Task 791 of 4096 (0,1,2,0,1,7) R2E-M1-N09-J01
Task 792 of 4096 (0,1,2,0,1,8) R2E-M1-N09-J01
Task 793 of 4096 (0,1,2,0,1,9) R2E-M1-N09-J01
Task 794 of 4096 (0,1,2,0,1,10) R2E-M1-N09-J01
Task 795 of 4096 (0,1,2,0,1,11) R2E-M1-N09-J01
Task 796 of 4096 (0,1,2,0,1,12) R2E-M1-N09-J01
Task 797 of 4096 (0,1,2,0,1,13) R2E-M1-N09-J01
Task 798 of 4096 (0,1,2,0,1,14) R2E-M1-N09-J01
Task 799 of 4096 (0,1,2,0,1,15) R2E-M1-N09-J01
Task 800 of 4096 (0,1,2,1,0,0) R2E-M1-N09-J10
Task 801 of 4096 (0,1,2,1,0,1) R2E-M1-N09-J10
Task 802 of 4096 (0,1,2,1,0,2) R2E-M1-N09-J10
Task 803 of 4096 (0,1,2,1,0,3) R2E-M1-N09-J10
Task 804 of 4096 (0,1,2,1,0,4) R2E-M1-N09-J10
Task 805 of 4096 (0,1,2,1,0,5) R2E-M1-N09-J10
Task 806 of 4096 (0,1,2,1,0,6) R2E-M1-N09-J10
Task 807 of 4096 (0,1,2,1,0,7) R2E-M1-N09-J10
Task 808 of 4096 (0,1,2,1,0,8) R2E-M1-N09-J10
Task 809 of 4096 (0,1,2,1,0,9) R2E-M1-N09-J10
Task 810 of 4096 (0,1,2,1,0,10) R2E-M1-N09-J10
Task 811 of 4096 (0,1,2,1,0,11) R2E-M1-N09-J10
Task 812 of 4096 (0,1,2,1,0,12) R2E-M1-N09-J10
Task 813 of 4096 (0,1,2,1,0,13) R2E-M1-N09-J10
Task 814 of 4096 (0,1,2,1,0,14) R2E-M1-N09-J10
Task 815 of 4096 (0,1,2,1,0,15) R2E-M1-N09-J10
Task 816 of 4096 (0,1,2,1,1,0) R2E-M1-N09-J13
Task 817 of 4096 (0,1,2,1,1,1) R2E-M1-N09-J13
Task 818 of 4096 (0,1,2,1,1,2) R2E-M1-N09-J13
Task 819 of 4096 (0,1,2,1,1,3) R2E-M1-N09-J13
Task 820 of 4096 (0,1,2,1,1,4) R2E-M1-N09-J13
Task 821 of 4096 (0,1,2,1,1,5) R2E-M1-N09-J13
Task 822 of 4096 (0,1,2,1,1,6) R2E-M1-N09-J13
Task 823 of 4096 (0,1,2,1,1,7) R2E-M1-N09-J13
Task 824 of 4096 (0,1,2,1,1,8) R2E-M1-N09-J13
Task 825 of 4096 (0,1,2,1,1,9) R2E-M1-N09-J13
Task 826 of 4096 (0,1,2,1,1,10) R2E-M1-N09-J13
Task 827 of 4096 (0,1,2,1,1,11) R2E-M1-N09-J13
Task 828 of 4096 (0,1,2,1,1,12) R2E-M1-N09-J13
Task 829 of 4096 (0,1,2,1,1,13) R2E-M1-N09-J13
Task 830 of 4096 (0,1,2,1,1,14) R2E-M1-N09-J13
Task 831 of 4096 (0,1,2,1,1,15) R2E-M1-N09-J13
Task 832 of 4096 (0,1,2,2,0,0) R2E-M1-N11-J10
Task 833 of 4096 (0,1,2,2,0,1) R2E-M1-N11-J10
Task 834 of 4096 (0,1,2,2,0,2) R2E-M1-N11-J10
Task 835 of 4096 (0,1,2,2,0,3) R2E-M1-N11-J10
Task 836 of 4096 (0,1,2,2,0,4) R2E-M1-N11-J10
Task 837 of 4096 (0,1,2,2,0,5) R2E-M1-N11-J10
Task 838 of 4096 (0,1,2,2,0,6) R2E-M1-N11-J10
Task 839 of 4096 (0,1,2,2,0,7) R2E-M1-N11-J10
Task 840 of 4096 (0,1,2,2,0,8) R2E-M1-N11-J10
Task 841 of 4096 (0,1,2,2,0,9) R2E-M1-N11-J10
Task 842 of 4096 (0,1,2,2,0,10) R2E-M1-N11-J10
Task 843 of 4096 (0,1,2,2,0,11) R2E-M1-N11-J10
Task 844 of 4096 (0,1,2,2,0,12) R2E-M1-N11-J10
Task 845 of 4096 (0,1,2,2,0,13) R2E-M1-N11-J10
Task 846 of 4096 (0,1,2,2,0,14) R2E-M1-N11-J10
Task 847 of 4096 (0,1,2,2,0,15) R2E-M1-N11-J10
Task 848 of 4096 (0,1,2,2,1,0) R2E-M1-N11-J13
Task 849 of 4096 (0,1,2,2,1,1) R2E-M1-N11-J13
Task 850 of 4096 (0,1,2,2,1,2) R2E-M1-N11-J13
Task 851 of 4096 (0,1,2,2,1,3) R2E-M1-N11-J13
Task 852 of 4096 (0,1,2,2,1,4) R2E-M1-N11-J13
Task 853 of 4096 (0,1,2,2,1,5) R2E-M1-N11-J13
Task 854 of 4096 (0,1,2,2,1,6) R2E-M1-N11-J13
Task 855 of 4096 (0,1,2,2,1,7) R2E-M1-N11-J13
Task 856 of 4096 (0,1,2,2,1,8) R2E-M1-N11-J13
Task 857 of 4096 (0,1,2,2,1,9) R2E-M1-N11-J13
Task 858 of 4096 (0,1,2,2,1,10) R2E-M1-N11-J13
Task 859 of 4096 (0,1,2,2,1,11) R2E-M1-N11-J13
Task 860 of 4096 (0,1,2,2,1,12) R2E-M1-N11-J13
Task 861 of 4096 (0,1,2,2,1,13) R2E-M1-N11-J13
Task 862 of 4096 (0,1,2,2,1,14) R2E-M1-N11-J13
Task 863 of 4096 (0,1,2,2,1,15) R2E-M1-N11-J13
Task 864 of 4096 (0,1,2,3,0,0) R2E-M1-N11-J06
Task 865 of 4096 (0,1,2,3,0,1) R2E-M1-N11-J06
Task 866 of 4096 (0,1,2,3,0,2) R2E-M1-N11-J06
Task 867 of 4096 (0,1,2,3,0,3) R2E-M1-N11-J06
Task 868 of 4096 (0,1,2,3,0,4) R2E-M1-N11-J06
Task 869 of 4096 (0,1,2,3,0,5) R2E-M1-N11-J06
Task 870 of 4096 (0,1,2,3,0,6) R2E-M1-N11-J06
Task 871 of 4096 (0,1,2,3,0,7) R2E-M1-N11-J06
Task 872 of 4096 (0,1,2,3,0,8) R2E-M1-N11-J06
Task 873 of 4096 (0,1,2,3,0,9) R2E-M1-N11-J06
Task 874 of 4096 (0,1,2,3,0,10) R2E-M1-N11-J06
Task 875 of 4096 (0,1,2,3,0,11) R2E-M1-N11-J06
Task 876 of 4096 (0,1,2,3,0,12) R2E-M1-N11-J06
Task 877 of 4096 (0,1,2,3,0,13) R2E-M1-N11-J06
Task 878 of 4096 (0,1,2,3,0,14) R2E-M1-N11-J06
Task 879 of 4096 (0,1,2,3,0,15) R2E-M1-N11-J06
Task 880 of 4096 (0,1,2,3,1,0) R2E-M1-N11-J01
Task 881 of 4096 (0,1,2,3,1,1) R2E-M1-N11-J01
Task 882 of 4096 (0,1,2,3,1,2) R2E-M1-N11-J01
Task 883 of 4096 (0,1,2,3,1,3) R2E-M1-N11-J01
Task 884 of 4096 (0,1,2,3,1,4) R2E-M1-N11-J01
Task 885 of 4096 (0,1,2,3,1,5) R2E-M1-N11-J01
Task 886 of 4096 (0,1,2,3,1,6) R2E-M1-N11-J01
Task 887 of 4096 (0,1,2,3,1,7) R2E-M1-N11-J01
Task 888 of 4096 (0,1,2,3,1,8) R2E-M1-N11-J01
Task 889 of 4096 (0,1,2,3,1,9) R2E-M1-N11-J01
Task 890 of 4096 (0,1,2,3,1,10) R2E-M1-N11-J01
Task 891 of 4096 (0,1,2,3,1,11) R2E-M1-N11-J01
Task 892 of 4096 (0,1,2,3,1,12) R2E-M1-N11-J01
Task 893 of 4096 (0,1,2,3,1,13) R2E-M1-N11-J01
Task 894 of 4096 (0,1,2,3,1,14) R2E-M1-N11-J01
Task 895 of 4096 (0,1,2,3,1,15) R2E-M1-N11-J01
Task 896 of 4096 (0,1,3,0,0,0) R2E-M1-N09-J07
Task 897 of 4096 (0,1,3,0,0,1) R2E-M1-N09-J07
Task 898 of 4096 (0,1,3,0,0,2) R2E-M1-N09-J07
Task 899 of 4096 (0,1,3,0,0,3) R2E-M1-N09-J07
Task 900 of 4096 (0,1,3,0,0,4) R2E-M1-N09-J07
Task 901 of 4096 (0,1,3,0,0,5) R2E-M1-N09-J07
Task 902 of 4096 (0,1,3,0,0,6) R2E-M1-N09-J07
Task 903 of 4096 (0,1,3,0,0,7) R2E-M1-N09-J07
Task 904 of 4096 (0,1,3,0,0,8) R2E-M1-N09-J07
Task 905 of 4096 (0,1,3,0,0,9) R2E-M1-N09-J07
Task 906 of 4096 (0,1,3,0,0,10) R2E-M1-N09-J07
Task 907 of 4096 (0,1,3,0,0,11) R2E-M1-N09-J07
Task 908 of 4096 (0,1,3,0,0,12) R2E-M1-N09-J07
Task 909 of 4096 (0,1,3,0,0,13) R2E-M1-N09-J07
Task 910 of 4096 (0,1,3,0,0,14) R2E-M1-N09-J07
Task 911 of 4096 (0,1,3,0,0,15) R2E-M1-N09-J07
Task 912 of 4096 (0,1,3,0,1,0) R2E-M1-N09-J00
Task 913 of 4096 (0,1,3,0,1,1) R2E-M1-N09-J00
Task 914 of 4096 (0,1,3,0,1,2) R2E-M1-N09-J00
Task 915 of 4096 (0,1,3,0,1,3) R2E-M1-N09-J00
Task 916 of 4096 (0,1,3,0,1,4) R2E-M1-N09-J00
Task 917 of 4096 (0,1,3,0,1,5) R2E-M1-N09-J00
Task 918 of 4096 (0,1,3,0,1,6) R2E-M1-N09-J00
Task 919 of 4096 (0,1,3,0,1,7) R2E-M1-N09-J00
Task 920 of 4096 (0,1,3,0,1,8) R2E-M1-N09-J00
Task 921 of 4096 (0,1,3,0,1,9) R2E-M1-N09-J00
Task 922 of 4096 (0,1,3,0,1,10) R2E-M1-N09-J00
Task 923 of 4096 (0,1,3,0,1,11) R2E-M1-N09-J00
Task 924 of 4096 (0,1,3,0,1,12) R2E-M1-N09-J00
Task 925 of 4096 (0,1,3,0,1,13) R2E-M1-N09-J00
Task 926 of 4096 (0,1,3,0,1,14) R2E-M1-N09-J00
Task 927 of 4096 (0,1,3,0,1,15) R2E-M1-N09-J00
Task 928 of 4096 (0,1,3,1,0,0) R2E-M1-N09-J11
Task 929 of 4096 (0,1,3,1,0,1) R2E-M1-N09-J11
Task 930 of 4096 (0,1,3,1,0,2) R2E-M1-N09-J11
Task 931 of 4096 (0,1,3,1,0,3) R2E-M1-N09-J11
Task 932 of 4096 (0,1,3,1,0,4) R2E-M1-N09-J11
Task 933 of 4096 (0,1,3,1,0,5) R2E-M1-N09-J11
Task 934 of 4096 (0,1,3,1,0,6) R2E-M1-N09-J11
Task 935 of 4096 (0,1,3,1,0,7) R2E-M1-N09-J11
Task 936 of 4096 (0,1,3,1,0,8) R2E-M1-N09-J11
Task 937 of 4096 (0,1,3,1,0,9) R2E-M1-N09-J11
Task 938 of 4096 (0,1,3,1,0,10) R2E-M1-N09-J11
Task 939 of 4096 (0,1,3,1,0,11) R2E-M1-N09-J11
Task 940 of 4096 (0,1,3,1,0,12) R2E-M1-N09-J11
Task 941 of 4096 (0,1,3,1,0,13) R2E-M1-N09-J11
Task 942 of 4096 (0,1,3,1,0,14) R2E-M1-N09-J11
Task 943 of 4096 (0,1,3,1,0,15) R2E-M1-N09-J11
Task 944 of 4096 (0,1,3,1,1,0) R2E-M1-N09-J12
Task 945 of 4096 (0,1,3,1,1,1) R2E-M1-N09-J12
Task 946 of 4096 (0,1,3,1,1,2) R2E-M1-N09-J12
Task 947 of 4096 (0,1,3,1,1,3) R2E-M1-N09-J12
Task 948 of 4096 (0,1,3,1,1,4) R2E-M1-N09-J12
Task 949 of 4096 (0,1,3,1,1,5) R2E-M1-N09-J12
Task 950 of 4096 (0,1,3,1,1,6) R2E-M1-N09-J12
Task 951 of 4096 (0,1,3,1,1,7) R2E-M1-N09-J12
Task 952 of 4096 (0,1,3,1,1,8) R2E-M1-N09-J12
Task 953 of 4096 (0,1,3,1,1,9) R2E-M1-N09-J12
Task 954 of 4096 (0,1,3,1,1,10) R2E-M1-N09-J12
Task 955 of 4096 (0,1,3,1,1,11) R2E-M1-N09-J12
Task 956 of 4096 (0,1,3,1,1,12) R2E-M1-N09-J12
Task 957 of 4096 (0,1,3,1,1,13) R2E-M1-N09-J12
Task 958 of 4096 (0,1,3,1,1,14) R2E-M1-N09-J12
Task 959 of 4096 (0,1,3,1,1,15) R2E-M1-N09-J12
Task 960 of 4096 (0,1,3,2,0,0) R2E-M1-N11-J11
Task 961 of 4096 (0,1,3,2,0,1) R2E-M1-N11-J11
Task 962 of 4096 (0,1,3,2,0,2) R2E-M1-N11-J11
Task 963 of 4096 (0,1,3,2,0,3) R2E-M1-N11-J11
Task 964 of 4096 (0,1,3,2,0,4) R2E-M1-N11-J11
Task 965 of 4096 (0,1,3,2,0,5) R2E-M1-N11-J11
Task 966 of 4096 (0,1,3,2,0,6) R2E-M1-N11-J11
Task 967 of 4096 (0,1,3,2,0,7) R2E-M1-N11-J11
Task 968 of 4096 (0,1,3,2,0,8) R2E-M1-N11-J11
Task 969 of 4096 (0,1,3,2,0,9) R2E-M1-N11-J11
Task 970 of 4096 (0,1,3,2,0,10) R2E-M1-N11-J11
Task 971 of 4096 (0,1,3,2,0,11) R2E-M1-N11-J11
Task 972 of 4096 (0,1,3,2,0,12) R2E-M1-N11-J11
Task 973 of 4096 (0,1,3,2,0,13) R2E-M1-N11-J11
Task 974 of 4096 (0,1,3,2,0,14) R2E-M1-N11-J11
Task 975 of 4096 (0,1,3,2,0,15) R2E-M1-N11-J11
Task 976 of 4096 (0,1,3,2,1,0) R2E-M1-N11-J12
Task 977 of 4096 (0,1,3,2,1,1) R2E-M1-N11-J12
Task 978 of 4096 (0,1,3,2,1,2) R2E-M1-N11-J12
Task 979 of 4096 (0,1,3,2,1,3) R2E-M1-N11-J12
Task 980 of 4096 (0,1,3,2,1,4) R2E-M1-N11-J12
Task 981 of 4096 (0,1,3,2,1,5) R2E-M1-N11-J12
Task 982 of 4096 (0,1,3,2,1,6) R2E-M1-N11-J12
Task 983 of 4096 (0,1,3,2,1,7) R2E-M1-N11-J12
Task 984 of 4096 (0,1,3,2,1,8) R2E-M1-N11-J12
Task 985 of 4096 (0,1,3,2,1,9) R2E-M1-N11-J12
Task 986 of 4096 (0,1,3,2,1,10) R2E-M1-N11-J12
Task 987 of 4096 (0,1,3,2,1,11) R2E-M1-N11-J12
Task 988 of 4096 (0,1,3,2,1,12) R2E-M1-N11-J12
Task 989 of 4096 (0,1,3,2,1,13) R2E-M1-N11-J12
Task 990 of 4096 (0,1,3,2,1,14) R2E-M1-N11-J12
Task 991 of 4096 (0,1,3,2,1,15) R2E-M1-N11-J12
Task 992 of 4096 (0,1,3,3,0,0) R2E-M1-N11-J07
Task 993 of 4096 (0,1,3,3,0,1) R2E-M1-N11-J07
Task 994 of 4096 (0,1,3,3,0,2) R2E-M1-N11-J07
Task 995 of 4096 (0,1,3,3,0,3) R2E-M1-N11-J07
Task 996 of 4096 (0,1,3,3,0,4) R2E-M1-N11-J07
Task 997 of 4096 (0,1,3,3,0,5) R2E-M1-N11-J07
Task 998 of 4096 (0,1,3,3,0,6) R2E-M1-N11-J07
Task 999 of 4096 (0,1,3,3,0,7) R2E-M1-N11-J07
Task 1000 of 4096 (0,1,3,3,0,8) R2E-M1-N11-J07
Task 1001 of 4096 (0,1,3,3,0,9) R2E-M1-N11-J07
Task 1002 of 4096 (0,1,3,3,0,10) R2E-M1-N11-J07
Task 1003 of 4096 (0,1,3,3,0,11) R2E-M1-N11-J07
Task 1004 of 4096 (0,1,3,3,0,12) R2E-M1-N11-J07
Task 1005 of 4096 (0,1,3,3,0,13) R2E-M1-N11-J07
Task 1006 of 4096 (0,1,3,3,0,14) R2E-M1-N11-J07
Task 1007 of 4096 (0,1,3,3,0,15) R2E-M1-N11-J07
Task 1008 of 4096 (0,1,3,3,1,0) R2E-M1-N11-J00
Task 1009 of 4096 (0,1,3,3,1,1) R2E-M1-N11-J00
Task 1010 of 4096 (0,1,3,3,1,2) R2E-M1-N11-J00
Task 1011 of 4096 (0,1,3,3,1,3) R2E-M1-N11-J00
Task 1012 of 4096 (0,1,3,3,1,4) R2E-M1-N11-J00
Task 1013 of 4096 (0,1,3,3,1,5) R2E-M1-N11-J00
Task 1014 of 4096 (0,1,3,3,1,6) R2E-M1-N11-J00
Task 1015 of 4096 (0,1,3,3,1,7) R2E-M1-N11-J00
Task 1016 of 4096 (0,1,3,3,1,8) R2E-M1-N11-J00
Task 1017 of 4096 (0,1,3,3,1,9) R2E-M1-N11-J00
Task 1018 of 4096 (0,1,3,3,1,10) R2E-M1-N11-J00
Task 1019 of 4096 (0,1,3,3,1,11) R2E-M1-N11-J00
Task 1020 of 4096 (0,1,3,3,1,12) R2E-M1-N11-J00
Task 1021 of 4096 (0,1,3,3,1,13) R2E-M1-N11-J00
Task 1022 of 4096 (0,1,3,3,1,14) R2E-M1-N11-J00
Task 1023 of 4096 (0,1,3,3,1,15) R2E-M1-N11-J00
Task 1024 of 4096 (1,0,0,0,0,0) R2E-M1-N08-J25
Task 1025 of 4096 (1,0,0,0,0,1) R2E-M1-N08-J25
Task 1026 of 4096 (1,0,0,0,0,2) R2E-M1-N08-J25
Task 1027 of 4096 (1,0,0,0,0,3) R2E-M1-N08-J25
Task 1028 of 4096 (1,0,0,0,0,4) R2E-M1-N08-J25
Task 1029 of 4096 (1,0,0,0,0,5) R2E-M1-N08-J25
Task 1030 of 4096 (1,0,0,0,0,6) R2E-M1-N08-J25
Task 1031 of 4096 (1,0,0,0,0,7) R2E-M1-N08-J25
Task 1032 of 4096 (1,0,0,0,0,8) R2E-M1-N08-J25
Task 1033 of 4096 (1,0,0,0,0,9) R2E-M1-N08-J25
Task 1034 of 4096 (1,0,0,0,0,10) R2E-M1-N08-J25
Task 1035 of 4096 (1,0,0,0,0,11) R2E-M1-N08-J25
Task 1036 of 4096 (1,0,0,0,0,12) R2E-M1-N08-J25
Task 1037 of 4096 (1,0,0,0,0,13) R2E-M1-N08-J25
Task 1038 of 4096 (1,0,0,0,0,14) R2E-M1-N08-J25
Task 1039 of 4096 (1,0,0,0,0,15) R2E-M1-N08-J25
Task 1040 of 4096 (1,0,0,0,1,0) R2E-M1-N08-J30
Task 1041 of 4096 (1,0,0,0,1,1) R2E-M1-N08-J30
Task 1042 of 4096 (1,0,0,0,1,2) R2E-M1-N08-J30
Task 1043 of 4096 (1,0,0,0,1,3) R2E-M1-N08-J30
Task 1044 of 4096 (1,0,0,0,1,4) R2E-M1-N08-J30
Task 1045 of 4096 (1,0,0,0,1,5) R2E-M1-N08-J30
Task 1046 of 4096 (1,0,0,0,1,6) R2E-M1-N08-J30
Task 1047 of 4096 (1,0,0,0,1,7) R2E-M1-N08-J30
Task 1048 of 4096 (1,0,0,0,1,8) R2E-M1-N08-J30
Task 1049 of 4096 (1,0,0,0,1,9) R2E-M1-N08-J30
Task 1050 of 4096 (1,0,0,0,1,10) R2E-M1-N08-J30
Task 1051 of 4096 (1,0,0,0,1,11) R2E-M1-N08-J30
Task 1052 of 4096 (1,0,0,0,1,12) R2E-M1-N08-J30
Task 1053 of 4096 (1,0,0,0,1,13) R2E-M1-N08-J30
Task 1054 of 4096 (1,0,0,0,1,14) R2E-M1-N08-J30
Task 1055 of 4096 (1,0,0,0,1,15) R2E-M1-N08-J30
Task 1056 of 4096 (1,0,0,1,0,0) R2E-M1-N08-J21
Task 1057 of 4096 (1,0,0,1,0,1) R2E-M1-N08-J21
Task 1058 of 4096 (1,0,0,1,0,2) R2E-M1-N08-J21
Task 1059 of 4096 (1,0,0,1,0,3) R2E-M1-N08-J21
Task 1060 of 4096 (1,0,0,1,0,4) R2E-M1-N08-J21
Task 1061 of 4096 (1,0,0,1,0,5) R2E-M1-N08-J21
Task 1062 of 4096 (1,0,0,1,0,6) R2E-M1-N08-J21
Task 1063 of 4096 (1,0,0,1,0,7) R2E-M1-N08-J21
Task 1064 of 4096 (1,0,0,1,0,8) R2E-M1-N08-J21
Task 1065 of 4096 (1,0,0,1,0,9) R2E-M1-N08-J21
Task 1066 of 4096 (1,0,0,1,0,10) R2E-M1-N08-J21
Task 1067 of 4096 (1,0,0,1,0,11) R2E-M1-N08-J21
Task 1068 of 4096 (1,0,0,1,0,12) R2E-M1-N08-J21
Task 1069 of 4096 (1,0,0,1,0,13) R2E-M1-N08-J21
Task 1070 of 4096 (1,0,0,1,0,14) R2E-M1-N08-J21
Task 1071 of 4096 (1,0,0,1,0,15) R2E-M1-N08-J21
Task 1072 of 4096 (1,0,0,1,1,0) R2E-M1-N08-J18
Task 1073 of 4096 (1,0,0,1,1,1) R2E-M1-N08-J18
Task 1074 of 4096 (1,0,0,1,1,2) R2E-M1-N08-J18
Task 1075 of 4096 (1,0,0,1,1,3) R2E-M1-N08-J18
Task 1076 of 4096 (1,0,0,1,1,4) R2E-M1-N08-J18
Task 1077 of 4096 (1,0,0,1,1,5) R2E-M1-N08-J18
Task 1078 of 4096 (1,0,0,1,1,6) R2E-M1-N08-J18
Task 1079 of 4096 (1,0,0,1,1,7) R2E-M1-N08-J18
Task 1080 of 4096 (1,0,0,1,1,8) R2E-M1-N08-J18
Task 1081 of 4096 (1,0,0,1,1,9) R2E-M1-N08-J18
Task 1082 of 4096 (1,0,0,1,1,10) R2E-M1-N08-J18
Task 1083 of 4096 (1,0,0,1,1,11) R2E-M1-N08-J18
Task 1084 of 4096 (1,0,0,1,1,12) R2E-M1-N08-J18
Task 1085 of 4096 (1,0,0,1,1,13) R2E-M1-N08-J18
Task 1086 of 4096 (1,0,0,1,1,14) R2E-M1-N08-J18
Task 1087 of 4096 (1,0,0,1,1,15) R2E-M1-N08-J18
Task 1088 of 4096 (1,0,0,2,0,0) R2E-M1-N10-J21
Task 1089 of 4096 (1,0,0,2,0,1) R2E-M1-N10-J21
Task 1090 of 4096 (1,0,0,2,0,2) R2E-M1-N10-J21
Task 1091 of 4096 (1,0,0,2,0,3) R2E-M1-N10-J21
Task 1092 of 4096 (1,0,0,2,0,4) R2E-M1-N10-J21
Task 1093 of 4096 (1,0,0,2,0,5) R2E-M1-N10-J21
Task 1094 of 4096 (1,0,0,2,0,6) R2E-M1-N10-J21
Task 1095 of 4096 (1,0,0,2,0,7) R2E-M1-N10-J21
Task 1096 of 4096 (1,0,0,2,0,8) R2E-M1-N10-J21
Task 1097 of 4096 (1,0,0,2,0,9) R2E-M1-N10-J21
Task 1098 of 4096 (1,0,0,2,0,10) R2E-M1-N10-J21
Task 1099 of 4096 (1,0,0,2,0,11) R2E-M1-N10-J21
Task 1100 of 4096 (1,0,0,2,0,12) R2E-M1-N10-J21
Task 1101 of 4096 (1,0,0,2,0,13) R2E-M1-N10-J21
Task 1102 of 4096 (1,0,0,2,0,14) R2E-M1-N10-J21
Task 1103 of 4096 (1,0,0,2,0,15) R2E-M1-N10-J21
Task 1104 of 4096 (1,0,0,2,1,0) R2E-M1-N10-J18
Task 1105 of 4096 (1,0,0,2,1,1) R2E-M1-N10-J18
Task 1106 of 4096 (1,0,0,2,1,2) R2E-M1-N10-J18
Task 1107 of 4096 (1,0,0,2,1,3) R2E-M1-N10-J18
Task 1108 of 4096 (1,0,0,2,1,4) R2E-M1-N10-J18
Task 1109 of 4096 (1,0,0,2,1,5) R2E-M1-N10-J18
Task 1110 of 4096 (1,0,0,2,1,6) R2E-M1-N10-J18
Task 1111 of 4096 (1,0,0,2,1,7) R2E-M1-N10-J18
Task 1112 of 4096 (1,0,0,2,1,8) R2E-M1-N10-J18
Task 1113 of 4096 (1,0,0,2,1,9) R2E-M1-N10-J18
Task 1114 of 4096 (1,0,0,2,1,10) R2E-M1-N10-J18
Task 1115 of 4096 (1,0,0,2,1,11) R2E-M1-N10-J18
Task 1116 of 4096 (1,0,0,2,1,12) R2E-M1-N10-J18
Task 1117 of 4096 (1,0,0,2,1,13) R2E-M1-N10-J18
Task 1118 of 4096 (1,0,0,2,1,14) R2E-M1-N10-J18
Task 1119 of 4096 (1,0,0,2,1,15) R2E-M1-N10-J18
Task 1120 of 4096 (1,0,0,3,0,0) R2E-M1-N10-J25
Task 1121 of 4096 (1,0,0,3,0,1) R2E-M1-N10-J25
Task 1122 of 4096 (1,0,0,3,0,2) R2E-M1-N10-J25
Task 1123 of 4096 (1,0,0,3,0,3) R2E-M1-N10-J25
Task 1124 of 4096 (1,0,0,3,0,4) R2E-M1-N10-J25
Task 1125 of 4096 (1,0,0,3,0,5) R2E-M1-N10-J25
Task 1126 of 4096 (1,0,0,3,0,6) R2E-M1-N10-J25
Task 1127 of 4096 (1,0,0,3,0,7) R2E-M1-N10-J25
Task 1128 of 4096 (1,0,0,3,0,8) R2E-M1-N10-J25
Task 1129 of 4096 (1,0,0,3,0,9) R2E-M1-N10-J25
Task 1130 of 4096 (1,0,0,3,0,10) R2E-M1-N10-J25
Task 1131 of 4096 (1,0,0,3,0,11) R2E-M1-N10-J25
Task 1132 of 4096 (1,0,0,3,0,12) R2E-M1-N10-J25
Task 1133 of 4096 (1,0,0,3,0,13) R2E-M1-N10-J25
Task 1134 of 4096 (1,0,0,3,0,14) R2E-M1-N10-J25
Task 1135 of 4096 (1,0,0,3,0,15) R2E-M1-N10-J25
Task 1136 of 4096 (1,0,0,3,1,0) R2E-M1-N10-J30
Task 1137 of 4096 (1,0,0,3,1,1) R2E-M1-N10-J30
Task 1138 of 4096 (1,0,0,3,1,2) R2E-M1-N10-J30
Task 1139 of 4096 (1,0,0,3,1,3) R2E-M1-N10-J30
Task 1140 of 4096 (1,0,0,3,1,4) R2E-M1-N10-J30
Task 1141 of 4096 (1,0,0,3,1,5) R2E-M1-N10-J30
Task 1142 of 4096 (1,0,0,3,1,6) R2E-M1-N10-J30
Task 1143 of 4096 (1,0,0,3,1,7) R2E-M1-N10-J30
Task 1144 of 4096 (1,0,0,3,1,8) R2E-M1-N10-J30
Task 1145 of 4096 (1,0,0,3,1,9) R2E-M1-N10-J30
Task 1146 of 4096 (1,0,0,3,1,10) R2E-M1-N10-J30
Task 1147 of 4096 (1,0,0,3,1,11) R2E-M1-N10-J30
Task 1148 of 4096 (1,0,0,3,1,12) R2E-M1-N10-J30
Task 1149 of 4096 (1,0,0,3,1,13) R2E-M1-N10-J30
Task 1150 of 4096 (1,0,0,3,1,14) R2E-M1-N10-J30
Task 1151 of 4096 (1,0,0,3,1,15) R2E-M1-N10-J30
Task 1152 of 4096 (1,0,1,0,0,0) R2E-M1-N08-J24
Task 1153 of 4096 (1,0,1,0,0,1) R2E-M1-N08-J24
Task 1154 of 4096 (1,0,1,0,0,2) R2E-M1-N08-J24
Task 1155 of 4096 (1,0,1,0,0,3) R2E-M1-N08-J24
Task 1156 of 4096 (1,0,1,0,0,4) R2E-M1-N08-J24
Task 1157 of 4096 (1,0,1,0,0,5) R2E-M1-N08-J24
Task 1158 of 4096 (1,0,1,0,0,6) R2E-M1-N08-J24
Task 1159 of 4096 (1,0,1,0,0,7) R2E-M1-N08-J24
Task 1160 of 4096 (1,0,1,0,0,8) R2E-M1-N08-J24
Task 1161 of 4096 (1,0,1,0,0,9) R2E-M1-N08-J24
Task 1162 of 4096 (1,0,1,0,0,10) R2E-M1-N08-J24
Task 1163 of 4096 (1,0,1,0,0,11) R2E-M1-N08-J24
Task 1164 of 4096 (1,0,1,0,0,12) R2E-M1-N08-J24
Task 1165 of 4096 (1,0,1,0,0,13) R2E-M1-N08-J24
Task 1166 of 4096 (1,0,1,0,0,14) R2E-M1-N08-J24
Task 1167 of 4096 (1,0,1,0,0,15) R2E-M1-N08-J24
Task 1168 of 4096 (1,0,1,0,1,0) R2E-M1-N08-J31
Task 1169 of 4096 (1,0,1,0,1,1) R2E-M1-N08-J31
Task 1170 of 4096 (1,0,1,0,1,2) R2E-M1-N08-J31
Task 1171 of 4096 (1,0,1,0,1,3) R2E-M1-N08-J31
Task 1172 of 4096 (1,0,1,0,1,4) R2E-M1-N08-J31
Task 1173 of 4096 (1,0,1,0,1,5) R2E-M1-N08-J31
Task 1174 of 4096 (1,0,1,0,1,6) R2E-M1-N08-J31
Task 1175 of 4096 (1,0,1,0,1,7) R2E-M1-N08-J31
Task 1176 of 4096 (1,0,1,0,1,8) R2E-M1-N08-J31
Task 1177 of 4096 (1,0,1,0,1,9) R2E-M1-N08-J31
Task 1178 of 4096 (1,0,1,0,1,10) R2E-M1-N08-J31
Task 1179 of 4096 (1,0,1,0,1,11) R2E-M1-N08-J31
Task 1180 of 4096 (1,0,1,0,1,12) R2E-M1-N08-J31
Task 1181 of 4096 (1,0,1,0,1,13) R2E-M1-N08-J31
Task 1182 of 4096 (1,0,1,0,1,14) R2E-M1-N08-J31
Task 1183 of 4096 (1,0,1,0,1,15) R2E-M1-N08-J31
Task 1184 of 4096 (1,0,1,1,0,0) R2E-M1-N08-J20
Task 1185 of 4096 (1,0,1,1,0,1) R2E-M1-N08-J20
Task 1186 of 4096 (1,0,1,1,0,2) R2E-M1-N08-J20
Task 1187 of 4096 (1,0,1,1,0,3) R2E-M1-N08-J20
Task 1188 of 4096 (1,0,1,1,0,4) R2E-M1-N08-J20
Task 1189 of 4096 (1,0,1,1,0,5) R2E-M1-N08-J20
Task 1190 of 4096 (1,0,1,1,0,6) R2E-M1-N08-J20
Task 1191 of 4096 (1,0,1,1,0,7) R2E-M1-N08-J20
Task 1192 of 4096 (1,0,1,1,0,8) R2E-M1-N08-J20
Task 1193 of 4096 (1,0,1,1,0,9) R2E-M1-N08-J20
Task 1194 of 4096 (1,0,1,1,0,10) R2E-M1-N08-J20
Task 1195 of 4096 (1,0,1,1,0,11) R2E-M1-N08-J20
Task 1196 of 4096 (1,0,1,1,0,12) R2E-M1-N08-J20
Task 1197 of 4096 (1,0,1,1,0,13) R2E-M1-N08-J20
Task 1198 of 4096 (1,0,1,1,0,14) R2E-M1-N08-J20
Task 1199 of 4096 (1,0,1,1,0,15) R2E-M1-N08-J20
Task 1200 of 4096 (1,0,1,1,1,0) R2E-M1-N08-J19
Task 1201 of 4096 (1,0,1,1,1,1) R2E-M1-N08-J19
Task 1202 of 4096 (1,0,1,1,1,2) R2E-M1-N08-J19
Task 1203 of 4096 (1,0,1,1,1,3) R2E-M1-N08-J19
Task 1204 of 4096 (1,0,1,1,1,4) R2E-M1-N08-J19
Task 1205 of 4096 (1,0,1,1,1,5) R2E-M1-N08-J19
Task 1206 of 4096 (1,0,1,1,1,6) R2E-M1-N08-J19
Task 1207 of 4096 (1,0,1,1,1,7) R2E-M1-N08-J19
Task 1208 of 4096 (1,0,1,1,1,8) R2E-M1-N08-J19
Task 1209 of 4096 (1,0,1,1,1,9) R2E-M1-N08-J19
Task 1210 of 4096 (1,0,1,1,1,10) R2E-M1-N08-J19
Task 1211 of 4096 (1,0,1,1,1,11) R2E-M1-N08-J19
Task 1212 of 4096 (1,0,1,1,1,12) R2E-M1-N08-J19
Task 1213 of 4096 (1,0,1,1,1,13) R2E-M1-N08-J19
Task 1214 of 4096 (1,0,1,1,1,14) R2E-M1-N08-J19
Task 1215 of 4096 (1,0,1,1,1,15) R2E-M1-N08-J19
Task 1216 of 4096 (1,0,1,2,0,0) R2E-M1-N10-J20
Task 1217 of 4096 (1,0,1,2,0,1) R2E-M1-N10-J20
Task 1218 of 4096 (1,0,1,2,0,2) R2E-M1-N10-J20
Task 1219 of 4096 (1,0,1,2,0,3) R2E-M1-N10-J20
Task 1220 of 4096 (1,0,1,2,0,4) R2E-M1-N10-J20
Task 1221 of 4096 (1,0,1,2,0,5) R2E-M1-N10-J20
Task 1222 of 4096 (1,0,1,2,0,6) R2E-M1-N10-J20
Task 1223 of 4096 (1,0,1,2,0,7) R2E-M1-N10-J20
Task 1224 of 4096 (1,0,1,2,0,8) R2E-M1-N10-J20
Task 1225 of 4096 (1,0,1,2,0,9) R2E-M1-N10-J20
Task 1226 of 4096 (1,0,1,2,0,10) R2E-M1-N10-J20
Task 1227 of 4096 (1,0,1,2,0,11) R2E-M1-N10-J20
Task 1228 of 4096 (1,0,1,2,0,12) R2E-M1-N10-J20
Task 1229 of 4096 (1,0,1,2,0,13) R2E-M1-N10-J20
Task 1230 of 4096 (1,0,1,2,0,14) R2E-M1-N10-J20
Task 1231 of 4096 (1,0,1,2,0,15) R2E-M1-N10-J20
Task 1232 of 4096 (1,0,1,2,1,0) R2E-M1-N10-J19
Task 1233 of 4096 (1,0,1,2,1,1) R2E-M1-N10-J19
Task 1234 of 4096 (1,0,1,2,1,2) R2E-M1-N10-J19
Task 1235 of 4096 (1,0,1,2,1,3) R2E-M1-N10-J19
Task 1236 of 4096 (1,0,1,2,1,4) R2E-M1-N10-J19
Task 1237 of 4096 (1,0,1,2,1,5) R2E-M1-N10-J19
Task 1238 of 4096 (1,0,1,2,1,6) R2E-M1-N10-J19
Task 1239 of 4096 (1,0,1,2,1,7) R2E-M1-N10-J19
Task 1240 of 4096 (1,0,1,2,1,8) R2E-M1-N10-J19
Task 1241 of 4096 (1,0,1,2,1,9) R2E-M1-N10-J19
Task 1242 of 4096 (1,0,1,2,1,10) R2E-M1-N10-J19
Task 1243 of 4096 (1,0,1,2,1,11) R2E-M1-N10-J19
Task 1244 of 4096 (1,0,1,2,1,12) R2E-M1-N10-J19
Task 1245 of 4096 (1,0,1,2,1,13) R2E-M1-N10-J19
Task 1246 of 4096 (1,0,1,2,1,14) R2E-M1-N10-J19
Task 1247 of 4096 (1,0,1,2,1,15) R2E-M1-N10-J19
Task 1248 of 4096 (1,0,1,3,0,0) R2E-M1-N10-J24
Task 1249 of 4096 (1,0,1,3,0,1) R2E-M1-N10-J24
Task 1250 of 4096 (1,0,1,3,0,2) R2E-M1-N10-J24
Task 1251 of 4096 (1,0,1,3,0,3) R2E-M1-N10-J24
Task 1252 of 4096 (1,0,1,3,0,4) R2E-M1-N10-J24
Task 1253 of 4096 (1,0,1,3,0,5) R2E-M1-N10-J24
Task 1254 of 4096 (1,0,1,3,0,6) R2E-M1-N10-J24
Task 1255 of 4096 (1,0,1,3,0,7) R2E-M1-N10-J24
Task 1256 of 4096 (1,0,1,3,0,8) R2E-M1-N10-J24
Task 1257 of 4096 (1,0,1,3,0,9) R2E-M1-N10-J24
Task 1258 of 4096 (1,0,1,3,0,10) R2E-M1-N10-J24
Task 1259 of 4096 (1,0,1,3,0,11) R2E-M1-N10-J24
Task 1260 of 4096 (1,0,1,3,0,12) R2E-M1-N10-J24
Task 1261 of 4096 (1,0,1,3,0,13) R2E-M1-N10-J24
Task 1262 of 4096 (1,0,1,3,0,14) R2E-M1-N10-J24
Task 1263 of 4096 (1,0,1,3,0,15) R2E-M1-N10-J24
Task 1264 of 4096 (1,0,1,3,1,0) R2E-M1-N10-J31
Task 1265 of 4096 (1,0,1,3,1,1) R2E-M1-N10-J31
Task 1266 of 4096 (1,0,1,3,1,2) R2E-M1-N10-J31
Task 1267 of 4096 (1,0,1,3,1,3) R2E-M1-N10-J31
Task 1268 of 4096 (1,0,1,3,1,4) R2E-M1-N10-J31
Task 1269 of 4096 (1,0,1,3,1,5) R2E-M1-N10-J31
Task 1270 of 4096 (1,0,1,3,1,6) R2E-M1-N10-J31
Task 1271 of 4096 (1,0,1,3,1,7) R2E-M1-N10-J31
Task 1272 of 4096 (1,0,1,3,1,8) R2E-M1-N10-J31
Task 1273 of 4096 (1,0,1,3,1,9) R2E-M1-N10-J31
Task 1274 of 4096 (1,0,1,3,1,10) R2E-M1-N10-J31
Task 1275 of 4096 (1,0,1,3,1,11) R2E-M1-N10-J31
Task 1276 of 4096 (1,0,1,3,1,12) R2E-M1-N10-J31
Task 1277 of 4096 (1,0,1,3,1,13) R2E-M1-N10-J31
Task 1278 of 4096 (1,0,1,3,1,14) R2E-M1-N10-J31
Task 1279 of 4096 (1,0,1,3,1,15) R2E-M1-N10-J31
Task 1280 of 4096 (1,0,2,0,0,0) R2E-M1-N09-J24
Task 1281 of 4096 (1,0,2,0,0,1) R2E-M1-N09-J24
Task 1282 of 4096 (1,0,2,0,0,2) R2E-M1-N09-J24
Task 1283 of 4096 (1,0,2,0,0,3) R2E-M1-N09-J24
Task 1284 of 4096 (1,0,2,0,0,4) R2E-M1-N09-J24
Task 1285 of 4096 (1,0,2,0,0,5) R2E-M1-N09-J24
Task 1286 of 4096 (1,0,2,0,0,6) R2E-M1-N09-J24
Task 1287 of 4096 (1,0,2,0,0,7) R2E-M1-N09-J24
Task 1288 of 4096 (1,0,2,0,0,8) R2E-M1-N09-J24
Task 1289 of 4096 (1,0,2,0,0,9) R2E-M1-N09-J24
Task 1290 of 4096 (1,0,2,0,0,10) R2E-M1-N09-J24
Task 1291 of 4096 (1,0,2,0,0,11) R2E-M1-N09-J24
Task 1292 of 4096 (1,0,2,0,0,12) R2E-M1-N09-J24
Task 1293 of 4096 (1,0,2,0,0,13) R2E-M1-N09-J24
Task 1294 of 4096 (1,0,2,0,0,14) R2E-M1-N09-J24
Task 1295 of 4096 (1,0,2,0,0,15) R2E-M1-N09-J24
Task 1296 of 4096 (1,0,2,0,1,0) R2E-M1-N09-J31
Task 1297 of 4096 (1,0,2,0,1,1) R2E-M1-N09-J31
Task 1298 of 4096 (1,0,2,0,1,2) R2E-M1-N09-J31
Task 1299 of 4096 (1,0,2,0,1,3) R2E-M1-N09-J31
Task 1300 of 4096 (1,0,2,0,1,4) R2E-M1-N09-J31
Task 1301 of 4096 (1,0,2,0,1,5) R2E-M1-N09-J31
Task 1302 of 4096 (1,0,2,0,1,6) R2E-M1-N09-J31
Task 1303 of 4096 (1,0,2,0,1,7) R2E-M1-N09-J31
Task 1304 of 4096 (1,0,2,0,1,8) R2E-M1-N09-J31
Task 1305 of 4096 (1,0,2,0,1,9) R2E-M1-N09-J31
Task 1306 of 4096 (1,0,2,0,1,10) R2E-M1-N09-J31
Task 1307 of 4096 (1,0,2,0,1,11) R2E-M1-N09-J31
Task 1308 of 4096 (1,0,2,0,1,12) R2E-M1-N09-J31
Task 1309 of 4096 (1,0,2,0,1,13) R2E-M1-N09-J31
Task 1310 of 4096 (1,0,2,0,1,14) R2E-M1-N09-J31
Task 1311 of 4096 (1,0,2,0,1,15) R2E-M1-N09-J31
Task 1312 of 4096 (1,0,2,1,0,0) R2E-M1-N09-J20
Task 1313 of 4096 (1,0,2,1,0,1) R2E-M1-N09-J20
Task 1314 of 4096 (1,0,2,1,0,2) R2E-M1-N09-J20
Task 1315 of 4096 (1,0,2,1,0,3) R2E-M1-N09-J20
Task 1316 of 4096 (1,0,2,1,0,4) R2E-M1-N09-J20
Task 1317 of 4096 (1,0,2,1,0,5) R2E-M1-N09-J20
Task 1318 of 4096 (1,0,2,1,0,6) R2E-M1-N09-J20
Task 1319 of 4096 (1,0,2,1,0,7) R2E-M1-N09-J20
Task 1320 of 4096 (1,0,2,1,0,8) R2E-M1-N09-J20
Task 1321 of 4096 (1,0,2,1,0,9) R2E-M1-N09-J20
Task 1322 of 4096 (1,0,2,1,0,10) R2E-M1-N09-J20
Task 1323 of 4096 (1,0,2,1,0,11) R2E-M1-N09-J20
Task 1324 of 4096 (1,0,2,1,0,12) R2E-M1-N09-J20
Task 1325 of 4096 (1,0,2,1,0,13) R2E-M1-N09-J20
Task 1326 of 4096 (1,0,2,1,0,14) R2E-M1-N09-J20
Task 1327 of 4096 (1,0,2,1,0,15) R2E-M1-N09-J20
Task 1328 of 4096 (1,0,2,1,1,0) R2E-M1-N09-J19
Task 1329 of 4096 (1,0,2,1,1,1) R2E-M1-N09-J19
Task 1330 of 4096 (1,0,2,1,1,2) R2E-M1-N09-J19
Task 1331 of 4096 (1,0,2,1,1,3) R2E-M1-N09-J19
Task 1332 of 4096 (1,0,2,1,1,4) R2E-M1-N09-J19
Task 1333 of 4096 (1,0,2,1,1,5) R2E-M1-N09-J19
Task 1334 of 4096 (1,0,2,1,1,6) R2E-M1-N09-J19
Task 1335 of 4096 (1,0,2,1,1,7) R2E-M1-N09-J19
Task 1336 of 4096 (1,0,2,1,1,8) R2E-M1-N09-J19
Task 1337 of 4096 (1,0,2,1,1,9) R2E-M1-N09-J19
Task 1338 of 4096 (1,0,2,1,1,10) R2E-M1-N09-J19
Task 1339 of 4096 (1,0,2,1,1,11) R2E-M1-N09-J19
Task 1340 of 4096 (1,0,2,1,1,12) R2E-M1-N09-J19
Task 1341 of 4096 (1,0,2,1,1,13) R2E-M1-N09-J19
Task 1342 of 4096 (1,0,2,1,1,14) R2E-M1-N09-J19
Task 1343 of 4096 (1,0,2,1,1,15) R2E-M1-N09-J19
Task 1344 of 4096 (1,0,2,2,0,0) R2E-M1-N11-J20
Task 1345 of 4096 (1,0,2,2,0,1) R2E-M1-N11-J20
Task 1346 of 4096 (1,0,2,2,0,2) R2E-M1-N11-J20
Task 1347 of 4096 (1,0,2,2,0,3) R2E-M1-N11-J20
Task 1348 of 4096 (1,0,2,2,0,4) R2E-M1-N11-J20
Task 1349 of 4096 (1,0,2,2,0,5) R2E-M1-N11-J20
Task 1350 of 4096 (1,0,2,2,0,6) R2E-M1-N11-J20
Task 1351 of 4096 (1,0,2,2,0,7) R2E-M1-N11-J20
Task 1352 of 4096 (1,0,2,2,0,8) R2E-M1-N11-J20
Task 1353 of 4096 (1,0,2,2,0,9) R2E-M1-N11-J20
Task 1354 of 4096 (1,0,2,2,0,10) R2E-M1-N11-J20
Task 1355 of 4096 (1,0,2,2,0,11) R2E-M1-N11-J20
Task 1356 of 4096 (1,0,2,2,0,12) R2E-M1-N11-J20
Task 1357 of 4096 (1,0,2,2,0,13) R2E-M1-N11-J20
Task 1358 of 4096 (1,0,2,2,0,14) R2E-M1-N11-J20
Task 1359 of 4096 (1,0,2,2,0,15) R2E-M1-N11-J20
Task 1360 of 4096 (1,0,2,2,1,0) R2E-M1-N11-J19
Task 1361 of 4096 (1,0,2,2,1,1) R2E-M1-N11-J19
Task 1362 of 4096 (1,0,2,2,1,2) R2E-M1-N11-J19
Task 1363 of 4096 (1,0,2,2,1,3) R2E-M1-N11-J19
Task 1364 of 4096 (1,0,2,2,1,4) R2E-M1-N11-J19
Task 1365 of 4096 (1,0,2,2,1,5) R2E-M1-N11-J19
Task 1366 of 4096 (1,0,2,2,1,6) R2E-M1-N11-J19
Task 1367 of 4096 (1,0,2,2,1,7) R2E-M1-N11-J19
Task 1368 of 4096 (1,0,2,2,1,8) R2E-M1-N11-J19
Task 1369 of 4096 (1,0,2,2,1,9) R2E-M1-N11-J19
Task 1370 of 4096 (1,0,2,2,1,10) R2E-M1-N11-J19
Task 1371 of 4096 (1,0,2,2,1,11) R2E-M1-N11-J19
Task 1372 of 4096 (1,0,2,2,1,12) R2E-M1-N11-J19
Task 1373 of 4096 (1,0,2,2,1,13) R2E-M1-N11-J19
Task 1374 of 4096 (1,0,2,2,1,14) R2E-M1-N11-J19
Task 1375 of 4096 (1,0,2,2,1,15) R2E-M1-N11-J19
Task 1376 of 4096 (1,0,2,3,0,0) R2E-M1-N11-J24
Task 1377 of 4096 (1,0,2,3,0,1) R2E-M1-N11-J24
Task 1378 of 4096 (1,0,2,3,0,2) R2E-M1-N11-J24
Task 1379 of 4096 (1,0,2,3,0,3) R2E-M1-N11-J24
Task 1380 of 4096 (1,0,2,3,0,4) R2E-M1-N11-J24
Task 1381 of 4096 (1,0,2,3,0,5) R2E-M1-N11-J24
Task 1382 of 4096 (1,0,2,3,0,6) R2E-M1-N11-J24
Task 1383 of 4096 (1,0,2,3,0,7) R2E-M1-N11-J24
Task 1384 of 4096 (1,0,2,3,0,8) R2E-M1-N11-J24
Task 1385 of 4096 (1,0,2,3,0,9) R2E-M1-N11-J24
Task 1386 of 4096 (1,0,2,3,0,10) R2E-M1-N11-J24
Task 1387 of 4096 (1,0,2,3,0,11) R2E-M1-N11-J24
Task 1388 of 4096 (1,0,2,3,0,12) R2E-M1-N11-J24
Task 1389 of 4096 (1,0,2,3,0,13) R2E-M1-N11-J24
Task 1390 of 4096 (1,0,2,3,0,14) R2E-M1-N11-J24
Task 1391 of 4096 (1,0,2,3,0,15) R2E-M1-N11-J24
Task 1392 of 4096 (1,0,2,3,1,0) R2E-M1-N11-J31
Task 1393 of 4096 (1,0,2,3,1,1) R2E-M1-N11-J31
Task 1394 of 4096 (1,0,2,3,1,2) R2E-M1-N11-J31
Task 1395 of 4096 (1,0,2,3,1,3) R2E-M1-N11-J31
Task 1396 of 4096 (1,0,2,3,1,4) R2E-M1-N11-J31
Task 1397 of 4096 (1,0,2,3,1,5) R2E-M1-N11-J31
Task 1398 of 4096 (1,0,2,3,1,6) R2E-M1-N11-J31
Task 1399 of 4096 (1,0,2,3,1,7) R2E-M1-N11-J31
Task 1400 of 4096 (1,0,2,3,1,8) R2E-M1-N11-J31
Task 1401 of 4096 (1,0,2,3,1,9) R2E-M1-N11-J31
Task 1402 of 4096 (1,0,2,3,1,10) R2E-M1-N11-J31
Task 1403 of 4096 (1,0,2,3,1,11) R2E-M1-N11-J31
Task 1404 of 4096 (1,0,2,3,1,12) R2E-M1-N11-J31
Task 1405 of 4096 (1,0,2,3,1,13) R2E-M1-N11-J31
Task 1406 of 4096 (1,0,2,3,1,14) R2E-M1-N11-J31
Task 1407 of 4096 (1,0,2,3,1,15) R2E-M1-N11-J31
Task 1408 of 4096 (1,0,3,0,0,0) R2E-M1-N09-J25
Task 1409 of 4096 (1,0,3,0,0,1) R2E-M1-N09-J25
Task 1410 of 4096 (1,0,3,0,0,2) R2E-M1-N09-J25
Task 1411 of 4096 (1,0,3,0,0,3) R2E-M1-N09-J25
Task 1412 of 4096 (1,0,3,0,0,4) R2E-M1-N09-J25
Task 1413 of 4096 (1,0,3,0,0,5) R2E-M1-N09-J25
Task 1414 of 4096 (1,0,3,0,0,6) R2E-M1-N09-J25
Task 1415 of 4096 (1,0,3,0,0,7) R2E-M1-N09-J25
Task 1416 of 4096 (1,0,3,0,0,8) R2E-M1-N09-J25
Task 1417 of 4096 (1,0,3,0,0,9) R2E-M1-N09-J25
Task 1418 of 4096 (1,0,3,0,0,10) R2E-M1-N09-J25
Task 1419 of 4096 (1,0,3,0,0,11) R2E-M1-N09-J25
Task 1420 of 4096 (1,0,3,0,0,12) R2E-M1-N09-J25
Task 1421 of 4096 (1,0,3,0,0,13) R2E-M1-N09-J25
Task 1422 of 4096 (1,0,3,0,0,14) R2E-M1-N09-J25
Task 1423 of 4096 (1,0,3,0,0,15) R2E-M1-N09-J25
Task 1424 of 4096 (1,0,3,0,1,0) R2E-M1-N09-J30
Task 1425 of 4096 (1,0,3,0,1,1) R2E-M1-N09-J30
Task 1426 of 4096 (1,0,3,0,1,2) R2E-M1-N09-J30
Task 1427 of 4096 (1,0,3,0,1,3) R2E-M1-N09-J30
Task 1428 of 4096 (1,0,3,0,1,4) R2E-M1-N09-J30
Task 1429 of 4096 (1,0,3,0,1,5) R2E-M1-N09-J30
Task 1430 of 4096 (1,0,3,0,1,6) R2E-M1-N09-J30
Task 1431 of 4096 (1,0,3,0,1,7) R2E-M1-N09-J30
Task 1432 of 4096 (1,0,3,0,1,8) R2E-M1-N09-J30
Task 1433 of 4096 (1,0,3,0,1,9) R2E-M1-N09-J30
Task 1434 of 4096 (1,0,3,0,1,10) R2E-M1-N09-J30
Task 1435 of 4096 (1,0,3,0,1,11) R2E-M1-N09-J30
Task 1436 of 4096 (1,0,3,0,1,12) R2E-M1-N09-J30
Task 1437 of 4096 (1,0,3,0,1,13) R2E-M1-N09-J30
Task 1438 of 4096 (1,0,3,0,1,14) R2E-M1-N09-J30
Task 1439 of 4096 (1,0,3,0,1,15) R2E-M1-N09-J30
Task 1440 of 4096 (1,0,3,1,0,0) R2E-M1-N09-J21
Task 1441 of 4096 (1,0,3,1,0,1) R2E-M1-N09-J21
Task 1442 of 4096 (1,0,3,1,0,2) R2E-M1-N09-J21
Task 1443 of 4096 (1,0,3,1,0,3) R2E-M1-N09-J21
Task 1444 of 4096 (1,0,3,1,0,4) R2E-M1-N09-J21
Task 1445 of 4096 (1,0,3,1,0,5) R2E-M1-N09-J21
Task 1446 of 4096 (1,0,3,1,0,6) R2E-M1-N09-J21
Task 1447 of 4096 (1,0,3,1,0,7) R2E-M1-N09-J21
Task 1448 of 4096 (1,0,3,1,0,8) R2E-M1-N09-J21
Task 1449 of 4096 (1,0,3,1,0,9) R2E-M1-N09-J21
Task 1450 of 4096 (1,0,3,1,0,10) R2E-M1-N09-J21
Task 1451 of 4096 (1,0,3,1,0,11) R2E-M1-N09-J21
Task 1452 of 4096 (1,0,3,1,0,12) R2E-M1-N09-J21
Task 1453 of 4096 (1,0,3,1,0,13) R2E-M1-N09-J21
Task 1454 of 4096 (1,0,3,1,0,14) R2E-M1-N09-J21
Task 1455 of 4096 (1,0,3,1,0,15) R2E-M1-N09-J21
Task 1456 of 4096 (1,0,3,1,1,0) R2E-M1-N09-J18
Task 1457 of 4096 (1,0,3,1,1,1) R2E-M1-N09-J18
Task 1458 of 4096 (1,0,3,1,1,2) R2E-M1-N09-J18
Task 1459 of 4096 (1,0,3,1,1,3) R2E-M1-N09-J18
Task 1460 of 4096 (1,0,3,1,1,4) R2E-M1-N09-J18
Task 1461 of 4096 (1,0,3,1,1,5) R2E-M1-N09-J18
Task 1462 of 4096 (1,0,3,1,1,6) R2E-M1-N09-J18
Task 1463 of 4096 (1,0,3,1,1,7) R2E-M1-N09-J18
Task 1464 of 4096 (1,0,3,1,1,8) R2E-M1-N09-J18
Task 1465 of 4096 (1,0,3,1,1,9) R2E-M1-N09-J18
Task 1466 of 4096 (1,0,3,1,1,10) R2E-M1-N09-J18
Task 1467 of 4096 (1,0,3,1,1,11) R2E-M1-N09-J18
Task 1468 of 4096 (1,0,3,1,1,12) R2E-M1-N09-J18
Task 1469 of 4096 (1,0,3,1,1,13) R2E-M1-N09-J18
Task 1470 of 4096 (1,0,3,1,1,14) R2E-M1-N09-J18
Task 1471 of 4096 (1,0,3,1,1,15) R2E-M1-N09-J18
Task 1472 of 4096 (1,0,3,2,0,0) R2E-M1-N11-J21
Task 1473 of 4096 (1,0,3,2,0,1) R2E-M1-N11-J21
Task 1474 of 4096 (1,0,3,2,0,2) R2E-M1-N11-J21
Task 1475 of 4096 (1,0,3,2,0,3) R2E-M1-N11-J21
Task 1476 of 4096 (1,0,3,2,0,4) R2E-M1-N11-J21
Task 1477 of 4096 (1,0,3,2,0,5) R2E-M1-N11-J21
Task 1478 of 4096 (1,0,3,2,0,6) R2E-M1-N11-J21
Task 1479 of 4096 (1,0,3,2,0,7) R2E-M1-N11-J21
Task 1480 of 4096 (1,0,3,2,0,8) R2E-M1-N11-J21
Task 1481 of 4096 (1,0,3,2,0,9) R2E-M1-N11-J21
Task 1482 of 4096 (1,0,3,2,0,10) R2E-M1-N11-J21
Task 1483 of 4096 (1,0,3,2,0,11) R2E-M1-N11-J21
Task 1484 of 4096 (1,0,3,2,0,12) R2E-M1-N11-J21
Task 1485 of 4096 (1,0,3,2,0,13) R2E-M1-N11-J21
Task 1486 of 4096 (1,0,3,2,0,14) R2E-M1-N11-J21
Task 1487 of 4096 (1,0,3,2,0,15) R2E-M1-N11-J21
Task 1488 of 4096 (1,0,3,2,1,0) R2E-M1-N11-J18
Task 1489 of 4096 (1,0,3,2,1,1) R2E-M1-N11-J18
Task 1490 of 4096 (1,0,3,2,1,2) R2E-M1-N11-J18
Task 1491 of 4096 (1,0,3,2,1,3) R2E-M1-N11-J18
Task 1492 of 4096 (1,0,3,2,1,4) R2E-M1-N11-J18
Task 1493 of 4096 (1,0,3,2,1,5) R2E-M1-N11-J18
Task 1494 of 4096 (1,0,3,2,1,6) R2E-M1-N11-J18
Task 1495 of 4096 (1,0,3,2,1,7) R2E-M1-N11-J18
Task 1496 of 4096 (1,0,3,2,1,8) R2E-M1-N11-J18
Task 1497 of 4096 (1,0,3,2,1,9) R2E-M1-N11-J18
Task 1498 of 4096 (1,0,3,2,1,10) R2E-M1-N11-J18
Task 1499 of 4096 (1,0,3,2,1,11) R2E-M1-N11-J18
Task 1500 of 4096 (1,0,3,2,1,12) R2E-M1-N11-J18
Task 1501 of 4096 (1,0,3,2,1,13) R2E-M1-N11-J18
Task 1502 of 4096 (1,0,3,2,1,14) R2E-M1-N11-J18
Task 1503 of 4096 (1,0,3,2,1,15) R2E-M1-N11-J18
Task 1504 of 4096 (1,0,3,3,0,0) R2E-M1-N11-J25
Task 1505 of 4096 (1,0,3,3,0,1) R2E-M1-N11-J25
Task 1506 of 4096 (1,0,3,3,0,2) R2E-M1-N11-J25
Task 1507 of 4096 (1,0,3,3,0,3) R2E-M1-N11-J25
Task 1508 of 4096 (1,0,3,3,0,4) R2E-M1-N11-J25
Task 1509 of 4096 (1,0,3,3,0,5) R2E-M1-N11-J25
Task 1510 of 4096 (1,0,3,3,0,6) R2E-M1-N11-J25
Task 1511 of 4096 (1,0,3,3,0,7) R2E-M1-N11-J25
Task 1512 of 4096 (1,0,3,3,0,8) R2E-M1-N11-J25
Task 1513 of 4096 (1,0,3,3,0,9) R2E-M1-N11-J25
Task 1514 of 4096 (1,0,3,3,0,10) R2E-M1-N11-J25
Task 1515 of 4096 (1,0,3,3,0,11) R2E-M1-N11-J25
Task 1516 of 4096 (1,0,3,3,0,12) R2E-M1-N11-J25
Task 1517 of 4096 (1,0,3,3,0,13) R2E-M1-N11-J25
Task 1518 of 4096 (1,0,3,3,0,14) R2E-M1-N11-J25
Task 1519 of 4096 (1,0,3,3,0,15) R2E-M1-N11-J25
Task 1520 of 4096 (1,0,3,3,1,0) R2E-M1-N11-J30
Task 1521 of 4096 (1,0,3,3,1,1) R2E-M1-N11-J30
Task 1522 of 4096 (1,0,3,3,1,2) R2E-M1-N11-J30
Task 1523 of 4096 (1,0,3,3,1,3) R2E-M1-N11-J30
Task 1524 of 4096 (1,0,3,3,1,4) R2E-M1-N11-J30
Task 1525 of 4096 (1,0,3,3,1,5) R2E-M1-N11-J30
Task 1526 of 4096 (1,0,3,3,1,6) R2E-M1-N11-J30
Task 1527 of 4096 (1,0,3,3,1,7) R2E-M1-N11-J30
Task 1528 of 4096 (1,0,3,3,1,8) R2E-M1-N11-J30
Task 1529 of 4096 (1,0,3,3,1,9) R2E-M1-N11-J30
Task 1530 of 4096 (1,0,3,3,1,10) R2E-M1-N11-J30
Task 1531 of 4096 (1,0,3,3,1,11) R2E-M1-N11-J30
Task 1532 of 4096 (1,0,3,3,1,12) R2E-M1-N11-J30
Task 1533 of 4096 (1,0,3,3,1,13) R2E-M1-N11-J30
Task 1534 of 4096 (1,0,3,3,1,14) R2E-M1-N11-J30
Task 1535 of 4096 (1,0,3,3,1,15) R2E-M1-N11-J30
Task 1536 of 4096 (1,1,0,0,0,0) R2E-M1-N08-J26
Task 1537 of 4096 (1,1,0,0,0,1) R2E-M1-N08-J26
Task 1538 of 4096 (1,1,0,0,0,2) R2E-M1-N08-J26
Task 1539 of 4096 (1,1,0,0,0,3) R2E-M1-N08-J26
Task 1540 of 4096 (1,1,0,0,0,4) R2E-M1-N08-J26
Task 1541 of 4096 (1,1,0,0,0,5) R2E-M1-N08-J26
Task 1542 of 4096 (1,1,0,0,0,6) R2E-M1-N08-J26
Task 1543 of 4096 (1,1,0,0,0,7) R2E-M1-N08-J26
Task 1544 of 4096 (1,1,0,0,0,8) R2E-M1-N08-J26
Task 1545 of 4096 (1,1,0,0,0,9) R2E-M1-N08-J26
Task 1546 of 4096 (1,1,0,0,0,10) R2E-M1-N08-J26
Task 1547 of 4096 (1,1,0,0,0,11) R2E-M1-N08-J26
Task 1548 of 4096 (1,1,0,0,0,12) R2E-M1-N08-J26
Task 1549 of 4096 (1,1,0,0,0,13) R2E-M1-N08-J26
Task 1550 of 4096 (1,1,0,0,0,14) R2E-M1-N08-J26
Task 1551 of 4096 (1,1,0,0,0,15) R2E-M1-N08-J26
Task 1552 of 4096 (1,1,0,0,1,0) R2E-M1-N08-J29
Task 1553 of 4096 (1,1,0,0,1,1) R2E-M1-N08-J29
Task 1554 of 4096 (1,1,0,0,1,2) R2E-M1-N08-J29
Task 1555 of 4096 (1,1,0,0,1,3) R2E-M1-N08-J29
Task 1556 of 4096 (1,1,0,0,1,4) R2E-M1-N08-J29
Task 1557 of 4096 (1,1,0,0,1,5) R2E-M1-N08-J29
Task 1558 of 4096 (1,1,0,0,1,6) R2E-M1-N08-J29
Task 1559 of 4096 (1,1,0,0,1,7) R2E-M1-N08-J29
Task 1560 of 4096 (1,1,0,0,1,8) R2E-M1-N08-J29
Task 1561 of 4096 (1,1,0,0,1,9) R2E-M1-N08-J29
Task 1562 of 4096 (1,1,0,0,1,10) R2E-M1-N08-J29
Task 1563 of 4096 (1,1,0,0,1,11) R2E-M1-N08-J29
Task 1564 of 4096 (1,1,0,0,1,12) R2E-M1-N08-J29
Task 1565 of 4096 (1,1,0,0,1,13) R2E-M1-N08-J29
Task 1566 of 4096 (1,1,0,0,1,14) R2E-M1-N08-J29
Task 1567 of 4096 (1,1,0,0,1,15) R2E-M1-N08-J29
Task 1568 of 4096 (1,1,0,1,0,0) R2E-M1-N08-J22
Task 1569 of 4096 (1,1,0,1,0,1) R2E-M1-N08-J22
Task 1570 of 4096 (1,1,0,1,0,2) R2E-M1-N08-J22
Task 1571 of 4096 (1,1,0,1,0,3) R2E-M1-N08-J22
Task 1572 of 4096 (1,1,0,1,0,4) R2E-M1-N08-J22
Task 1573 of 4096 (1,1,0,1,0,5) R2E-M1-N08-J22
Task 1574 of 4096 (1,1,0,1,0,6) R2E-M1-N08-J22
Task 1575 of 4096 (1,1,0,1,0,7) R2E-M1-N08-J22
Task 1576 of 4096 (1,1,0,1,0,8) R2E-M1-N08-J22
Task 1577 of 4096 (1,1,0,1,0,9) R2E-M1-N08-J22
Task 1578 of 4096 (1,1,0,1,0,10) R2E-M1-N08-J22
Task 1579 of 4096 (1,1,0,1,0,11) R2E-M1-N08-J22
Task 1580 of 4096 (1,1,0,1,0,12) R2E-M1-N08-J22
Task 1581 of 4096 (1,1,0,1,0,13) R2E-M1-N08-J22
Task 1582 of 4096 (1,1,0,1,0,14) R2E-M1-N08-J22
Task 1583 of 4096 (1,1,0,1,0,15) R2E-M1-N08-J22
Task 1584 of 4096 (1,1,0,1,1,0) R2E-M1-N08-J17
Task 1585 of 4096 (1,1,0,1,1,1) R2E-M1-N08-J17
Task 1586 of 4096 (1,1,0,1,1,2) R2E-M1-N08-J17
Task 1587 of 4096 (1,1,0,1,1,3) R2E-M1-N08-J17
Task 1588 of 4096 (1,1,0,1,1,4) R2E-M1-N08-J17
Task 1589 of 4096 (1,1,0,1,1,5) R2E-M1-N08-J17
Task 1590 of 4096 (1,1,0,1,1,6) R2E-M1-N08-J17
Task 1591 of 4096 (1,1,0,1,1,7) R2E-M1-N08-J17
Task 1592 of 4096 (1,1,0,1,1,8) R2E-M1-N08-J17
Task 1593 of 4096 (1,1,0,1,1,9) R2E-M1-N08-J17
Task 1594 of 4096 (1,1,0,1,1,10) R2E-M1-N08-J17
Task 1595 of 4096 (1,1,0,1,1,11) R2E-M1-N08-J17
Task 1596 of 4096 (1,1,0,1,1,12) R2E-M1-N08-J17
Task 1597 of 4096 (1,1,0,1,1,13) R2E-M1-N08-J17
Task 1598 of 4096 (1,1,0,1,1,14) R2E-M1-N08-J17
Task 1599 of 4096 (1,1,0,1,1,15) R2E-M1-N08-J17
Task 1600 of 4096 (1,1,0,2,0,0) R2E-M1-N10-J22
Task 1601 of 4096 (1,1,0,2,0,1) R2E-M1-N10-J22
Task 1602 of 4096 (1,1,0,2,0,2) R2E-M1-N10-J22
Task 1603 of 4096 (1,1,0,2,0,3) R2E-M1-N10-J22
Task 1604 of 4096 (1,1,0,2,0,4) R2E-M1-N10-J22
Task 1605 of 4096 (1,1,0,2,0,5) R2E-M1-N10-J22
Task 1606 of 4096 (1,1,0,2,0,6) R2E-M1-N10-J22
Task 1607 of 4096 (1,1,0,2,0,7) R2E-M1-N10-J22
Task 1608 of 4096 (1,1,0,2,0,8) R2E-M1-N10-J22
Task 1609 of 4096 (1,1,0,2,0,9) R2E-M1-N10-J22
Task 1610 of 4096 (1,1,0,2,0,10) R2E-M1-N10-J22
Task 1611 of 4096 (1,1,0,2,0,11) R2E-M1-N10-J22
Task 1612 of 4096 (1,1,0,2,0,12) R2E-M1-N10-J22
Task 1613 of 4096 (1,1,0,2,0,13) R2E-M1-N10-J22
Task 1614 of 4096 (1,1,0,2,0,14) R2E-M1-N10-J22
Task 1615 of 4096 (1,1,0,2,0,15) R2E-M1-N10-J22
Task 1616 of 4096 (1,1,0,2,1,0) R2E-M1-N10-J17
Task 1617 of 4096 (1,1,0,2,1,1) R2E-M1-N10-J17
Task 1618 of 4096 (1,1,0,2,1,2) R2E-M1-N10-J17
Task 1619 of 4096 (1,1,0,2,1,3) R2E-M1-N10-J17
Task 1620 of 4096 (1,1,0,2,1,4) R2E-M1-N10-J17
Task 1621 of 4096 (1,1,0,2,1,5) R2E-M1-N10-J17
Task 1622 of 4096 (1,1,0,2,1,6) R2E-M1-N10-J17
Task 1623 of 4096 (1,1,0,2,1,7) R2E-M1-N10-J17
Task 1624 of 4096 (1,1,0,2,1,8) R2E-M1-N10-J17
Task 1625 of 4096 (1,1,0,2,1,9) R2E-M1-N10-J17
Task 1626 of 4096 (1,1,0,2,1,10) R2E-M1-N10-J17
Task 1627 of 4096 (1,1,0,2,1,11) R2E-M1-N10-J17
Task 1628 of 4096 (1,1,0,2,1,12) R2E-M1-N10-J17
Task 1629 of 4096 (1,1,0,2,1,13) R2E-M1-N10-J17
Task 1630 of 4096 (1,1,0,2,1,14) R2E-M1-N10-J17
Task 1631 of 4096 (1,1,0,2,1,15) R2E-M1-N10-J17
Task 1632 of 4096 (1,1,0,3,0,0) R2E-M1-N10-J26
Task 1633 of 4096 (1,1,0,3,0,1) R2E-M1-N10-J26
Task 1634 of 4096 (1,1,0,3,0,2) R2E-M1-N10-J26
Task 1635 of 4096 (1,1,0,3,0,3) R2E-M1-N10-J26
Task 1636 of 4096 (1,1,0,3,0,4) R2E-M1-N10-J26
Task 1637 of 4096 (1,1,0,3,0,5) R2E-M1-N10-J26
Task 1638 of 4096 (1,1,0,3,0,6) R2E-M1-N10-J26
Task 1639 of 4096 (1,1,0,3,0,7) R2E-M1-N10-J26
Task 1640 of 4096 (1,1,0,3,0,8) R2E-M1-N10-J26
Task 1641 of 4096 (1,1,0,3,0,9) R2E-M1-N10-J26
Task 1642 of 4096 (1,1,0,3,0,10) R2E-M1-N10-J26
Task 1643 of 4096 (1,1,0,3,0,11) R2E-M1-N10-J26
Task 1644 of 4096 (1,1,0,3,0,12) R2E-M1-N10-J26
Task 1645 of 4096 (1,1,0,3,0,13) R2E-M1-N10-J26
Task 1646 of 4096 (1,1,0,3,0,14) R2E-M1-N10-J26
Task 1647 of 4096 (1,1,0,3,0,15) R2E-M1-N10-J26
Task 1648 of 4096 (1,1,0,3,1,0) R2E-M1-N10-J29
Task 1649 of 4096 (1,1,0,3,1,1) R2E-M1-N10-J29
Task 1650 of 4096 (1,1,0,3,1,2) R2E-M1-N10-J29
Task 1651 of 4096 (1,1,0,3,1,3) R2E-M1-N10-J29
Task 1652 of 4096 (1,1,0,3,1,4) R2E-M1-N10-J29
Task 1653 of 4096 (1,1,0,3,1,5) R2E-M1-N10-J29
Task 1654 of 4096 (1,1,0,3,1,6) R2E-M1-N10-J29
Task 1655 of 4096 (1,1,0,3,1,7) R2E-M1-N10-J29
Task 1656 of 4096 (1,1,0,3,1,8) R2E-M1-N10-J29
Task 1657 of 4096 (1,1,0,3,1,9) R2E-M1-N10-J29
Task 1658 of 4096 (1,1,0,3,1,10) R2E-M1-N10-J29
Task 1659 of 4096 (1,1,0,3,1,11) R2E-M1-N10-J29
Task 1660 of 4096 (1,1,0,3,1,12) R2E-M1-N10-J29
Task 1661 of 4096 (1,1,0,3,1,13) R2E-M1-N10-J29
Task 1662 of 4096 (1,1,0,3,1,14) R2E-M1-N10-J29
Task 1663 of 4096 (1,1,0,3,1,15) R2E-M1-N10-J29
Task 1664 of 4096 (1,1,1,0,0,0) R2E-M1-N08-J27
Task 1665 of 4096 (1,1,1,0,0,1) R2E-M1-N08-J27
Task 1666 of 4096 (1,1,1,0,0,2) R2E-M1-N08-J27
Task 1667 of 4096 (1,1,1,0,0,3) R2E-M1-N08-J27
Task 1668 of 4096 (1,1,1,0,0,4) R2E-M1-N08-J27
Task 1669 of 4096 (1,1,1,0,0,5) R2E-M1-N08-J27
Task 1670 of 4096 (1,1,1,0,0,6) R2E-M1-N08-J27
Task 1671 of 4096 (1,1,1,0,0,7) R2E-M1-N08-J27
Task 1672 of 4096 (1,1,1,0,0,8) R2E-M1-N08-J27
Task 1673 of 4096 (1,1,1,0,0,9) R2E-M1-N08-J27
Task 1674 of 4096 (1,1,1,0,0,10) R2E-M1-N08-J27
Task 1675 of 4096 (1,1,1,0,0,11) R2E-M1-N08-J27
Task 1676 of 4096 (1,1,1,0,0,12) R2E-M1-N08-J27
Task 1677 of 4096 (1,1,1,0,0,13) R2E-M1-N08-J27
Task 1678 of 4096 (1,1,1,0,0,14) R2E-M1-N08-J27
Task 1679 of 4096 (1,1,1,0,0,15) R2E-M1-N08-J27
Task 1680 of 4096 (1,1,1,0,1,0) R2E-M1-N08-J28
Task 1681 of 4096 (1,1,1,0,1,1) R2E-M1-N08-J28
Task 1682 of 4096 (1,1,1,0,1,2) R2E-M1-N08-J28
Task 1683 of 4096 (1,1,1,0,1,3) R2E-M1-N08-J28
Task 1684 of 4096 (1,1,1,0,1,4) R2E-M1-N08-J28
Task 1685 of 4096 (1,1,1,0,1,5) R2E-M1-N08-J28
Task 1686 of 4096 (1,1,1,0,1,6) R2E-M1-N08-J28
Task 1687 of 4096 (1,1,1,0,1,7) R2E-M1-N08-J28
Task 1688 of 4096 (1,1,1,0,1,8) R2E-M1-N08-J28
Task 1689 of 4096 (1,1,1,0,1,9) R2E-M1-N08-J28
Task 1690 of 4096 (1,1,1,0,1,10) R2E-M1-N08-J28
Task 1691 of 4096 (1,1,1,0,1,11) R2E-M1-N08-J28
Task 1692 of 4096 (1,1,1,0,1,12) R2E-M1-N08-J28
Task 1693 of 4096 (1,1,1,0,1,13) R2E-M1-N08-J28
Task 1694 of 4096 (1,1,1,0,1,14) R2E-M1-N08-J28
Task 1695 of 4096 (1,1,1,0,1,15) R2E-M1-N08-J28
Task 1696 of 4096 (1,1,1,1,0,0) R2E-M1-N08-J23
Task 1697 of 4096 (1,1,1,1,0,1) R2E-M1-N08-J23
Task 1698 of 4096 (1,1,1,1,0,2) R2E-M1-N08-J23
Task 1699 of 4096 (1,1,1,1,0,3) R2E-M1-N08-J23
Task 1700 of 4096 (1,1,1,1,0,4) R2E-M1-N08-J23
Task 1701 of 4096 (1,1,1,1,0,5) R2E-M1-N08-J23
Task 1702 of 4096 (1,1,1,1,0,6) R2E-M1-N08-J23
Task 1703 of 4096 (1,1,1,1,0,7) R2E-M1-N08-J23
Task 1704 of 4096 (1,1,1,1,0,8) R2E-M1-N08-J23
Task 1705 of 4096 (1,1,1,1,0,9) R2E-M1-N08-J23
Task 1706 of 4096 (1,1,1,1,0,10) R2E-M1-N08-J23
Task 1707 of 4096 (1,1,1,1,0,11) R2E-M1-N08-J23
Task 1708 of 4096 (1,1,1,1,0,12) R2E-M1-N08-J23
Task 1709 of 4096 (1,1,1,1,0,13) R2E-M1-N08-J23
Task 1710 of 4096 (1,1,1,1,0,14) R2E-M1-N08-J23
Task 1711 of 4096 (1,1,1,1,0,15) R2E-M1-N08-J23
Task 1712 of 4096 (1,1,1,1,1,0) R2E-M1-N08-J16
Task 1713 of 4096 (1,1,1,1,1,1) R2E-M1-N08-J16
Task 1714 of 4096 (1,1,1,1,1,2) R2E-M1-N08-J16
Task 1715 of 4096 (1,1,1,1,1,3) R2E-M1-N08-J16
Task 1716 of 4096 (1,1,1,1,1,4) R2E-M1-N08-J16
Task 1717 of 4096 (1,1,1,1,1,5) R2E-M1-N08-J16
Task 1718 of 4096 (1,1,1,1,1,6) R2E-M1-N08-J16
Task 1719 of 4096 (1,1,1,1,1,7) R2E-M1-N08-J16
Task 1720 of 4096 (1,1,1,1,1,8) R2E-M1-N08-J16
Task 1721 of 4096 (1,1,1,1,1,9) R2E-M1-N08-J16
Task 1722 of 4096 (1,1,1,1,1,10) R2E-M1-N08-J16
Task 1723 of 4096 (1,1,1,1,1,11) R2E-M1-N08-J16
Task 1724 of 4096 (1,1,1,1,1,12) R2E-M1-N08-J16
Task 1725 of 4096 (1,1,1,1,1,13) R2E-M1-N08-J16
Task 1726 of 4096 (1,1,1,1,1,14) R2E-M1-N08-J16
Task 1727 of 4096 (1,1,1,1,1,15) R2E-M1-N08-J16
Task 1728 of 4096 (1,1,1,2,0,0) R2E-M1-N10-J23
Task 1729 of 4096 (1,1,1,2,0,1) R2E-M1-N10-J23
Task 1730 of 4096 (1,1,1,2,0,2) R2E-M1-N10-J23
Task 1731 of 4096 (1,1,1,2,0,3) R2E-M1-N10-J23
Task 1732 of 4096 (1,1,1,2,0,4) R2E-M1-N10-J23
Task 1733 of 4096 (1,1,1,2,0,5) R2E-M1-N10-J23
Task 1734 of 4096 (1,1,1,2,0,6) R2E-M1-N10-J23
Task 1735 of 4096 (1,1,1,2,0,7) R2E-M1-N10-J23
Task 1736 of 4096 (1,1,1,2,0,8) R2E-M1-N10-J23
Task 1737 of 4096 (1,1,1,2,0,9) R2E-M1-N10-J23
Task 1738 of 4096 (1,1,1,2,0,10) R2E-M1-N10-J23
Task 1739 of 4096 (1,1,1,2,0,11) R2E-M1-N10-J23
Task 1740 of 4096 (1,1,1,2,0,12) R2E-M1-N10-J23
Task 1741 of 4096 (1,1,1,2,0,13) R2E-M1-N10-J23
Task 1742 of 4096 (1,1,1,2,0,14) R2E-M1-N10-J23
Task 1743 of 4096 (1,1,1,2,0,15) R2E-M1-N10-J23
Task 1744 of 4096 (1,1,1,2,1,0) R2E-M1-N10-J16
Task 1745 of 4096 (1,1,1,2,1,1) R2E-M1-N10-J16
Task 1746 of 4096 (1,1,1,2,1,2) R2E-M1-N10-J16
Task 1747 of 4096 (1,1,1,2,1,3) R2E-M1-N10-J16
Task 1748 of 4096 (1,1,1,2,1,4) R2E-M1-N10-J16
Task 1749 of 4096 (1,1,1,2,1,5) R2E-M1-N10-J16
Task 1750 of 4096 (1,1,1,2,1,6) R2E-M1-N10-J16
Task 1751 of 4096 (1,1,1,2,1,7) R2E-M1-N10-J16
Task 1752 of 4096 (1,1,1,2,1,8) R2E-M1-N10-J16
Task 1753 of 4096 (1,1,1,2,1,9) R2E-M1-N10-J16
Task 1754 of 4096 (1,1,1,2,1,10) R2E-M1-N10-J16
Task 1755 of 4096 (1,1,1,2,1,11) R2E-M1-N10-J16
Task 1756 of 4096 (1,1,1,2,1,12) R2E-M1-N10-J16
Task 1757 of 4096 (1,1,1,2,1,13) R2E-M1-N10-J16
Task 1758 of 4096 (1,1,1,2,1,14) R2E-M1-N10-J16
Task 1759 of 4096 (1,1,1,2,1,15) R2E-M1-N10-J16
Task 1760 of 4096 (1,1,1,3,0,0) R2E-M1-N10-J27
Task 1761 of 4096 (1,1,1,3,0,1) R2E-M1-N10-J27
Task 1762 of 4096 (1,1,1,3,0,2) R2E-M1-N10-J27
Task 1763 of 4096 (1,1,1,3,0,3) R2E-M1-N10-J27
Task 1764 of 4096 (1,1,1,3,0,4) R2E-M1-N10-J27
Task 1765 of 4096 (1,1,1,3,0,5) R2E-M1-N10-J27
Task 1766 of 4096 (1,1,1,3,0,6) R2E-M1-N10-J27
Task 1767 of 4096 (1,1,1,3,0,7) R2E-M1-N10-J27
Task 1768 of 4096 (1,1,1,3,0,8) R2E-M1-N10-J27
Task 1769 of 4096 (1,1,1,3,0,9) R2E-M1-N10-J27
Task 1770 of 4096 (1,1,1,3,0,10) R2E-M1-N10-J27
Task 1771 of 4096 (1,1,1,3,0,11) R2E-M1-N10-J27
Task 1772 of 4096 (1,1,1,3,0,12) R2E-M1-N10-J27
Task 1773 of 4096 (1,1,1,3,0,13) R2E-M1-N10-J27
Task 1774 of 4096 (1,1,1,3,0,14) R2E-M1-N10-J27
Task 1775 of 4096 (1,1,1,3,0,15) R2E-M1-N10-J27
Task 1776 of 4096 (1,1,1,3,1,0) R2E-M1-N10-J28
Task 1777 of 4096 (1,1,1,3,1,1) R2E-M1-N10-J28
Task 1778 of 4096 (1,1,1,3,1,2) R2E-M1-N10-J28
Task 1779 of 4096 (1,1,1,3,1,3) R2E-M1-N10-J28
Task 1780 of 4096 (1,1,1,3,1,4) R2E-M1-N10-J28
Task 1781 of 4096 (1,1,1,3,1,5) R2E-M1-N10-J28
Task 1782 of 4096 (1,1,1,3,1,6) R2E-M1-N10-J28
Task 1783 of 4096 (1,1,1,3,1,7) R2E-M1-N10-J28
Task 1784 of 4096 (1,1,1,3,1,8) R2E-M1-N10-J28
Task 1785 of 4096 (1,1,1,3,1,9) R2E-M1-N10-J28
Task 1786 of 4096 (1,1,1,3,1,10) R2E-M1-N10-J28
Task 1787 of 4096 (1,1,1,3,1,11) R2E-M1-N10-J28
Task 1788 of 4096 (1,1,1,3,1,12) R2E-M1-N10-J28
Task 1789 of 4096 (1,1,1,3,1,13) R2E-M1-N10-J28
Task 1790 of 4096 (1,1,1,3,1,14) R2E-M1-N10-J28
Task 1791 of 4096 (1,1,1,3,1,15) R2E-M1-N10-J28
Task 1792 of 4096 (1,1,2,0,0,0) R2E-M1-N09-J27
Task 1793 of 4096 (1,1,2,0,0,1) R2E-M1-N09-J27
Task 1794 of 4096 (1,1,2,0,0,2) R2E-M1-N09-J27
Task 1795 of 4096 (1,1,2,0,0,3) R2E-M1-N09-J27
Task 1796 of 4096 (1,1,2,0,0,4) R2E-M1-N09-J27
Task 1797 of 4096 (1,1,2,0,0,5) R2E-M1-N09-J27
Task 1798 of 4096 (1,1,2,0,0,6) R2E-M1-N09-J27
Task 1799 of 4096 (1,1,2,0,0,7) R2E-M1-N09-J27
Task 1800 of 4096 (1,1,2,0,0,8) R2E-M1-N09-J27
Task 1801 of 4096 (1,1,2,0,0,9) R2E-M1-N09-J27
Task 1802 of 4096 (1,1,2,0,0,10) R2E-M1-N09-J27
Task 1803 of 4096 (1,1,2,0,0,11) R2E-M1-N09-J27
Task 1804 of 4096 (1,1,2,0,0,12) R2E-M1-N09-J27
Task 1805 of 4096 (1,1,2,0,0,13) R2E-M1-N09-J27
Task 1806 of 4096 (1,1,2,0,0,14) R2E-M1-N09-J27
Task 1807 of 4096 (1,1,2,0,0,15) R2E-M1-N09-J27
Task 1808 of 4096 (1,1,2,0,1,0) R2E-M1-N09-J28
Task 1809 of 4096 (1,1,2,0,1,1) R2E-M1-N09-J28
Task 1810 of 4096 (1,1,2,0,1,2) R2E-M1-N09-J28
Task 1811 of 4096 (1,1,2,0,1,3) R2E-M1-N09-J28
Task 1812 of 4096 (1,1,2,0,1,4) R2E-M1-N09-J28
Task 1813 of 4096 (1,1,2,0,1,5) R2E-M1-N09-J28
Task 1814 of 4096 (1,1,2,0,1,6) R2E-M1-N09-J28
Task 1815 of 4096 (1,1,2,0,1,7) R2E-M1-N09-J28
Task 1816 of 4096 (1,1,2,0,1,8) R2E-M1-N09-J28
Task 1817 of 4096 (1,1,2,0,1,9) R2E-M1-N09-J28
Task 1818 of 4096 (1,1,2,0,1,10) R2E-M1-N09-J28
Task 1819 of 4096 (1,1,2,0,1,11) R2E-M1-N09-J28
Task 1820 of 4096 (1,1,2,0,1,12) R2E-M1-N09-J28
Task 1821 of 4096 (1,1,2,0,1,13) R2E-M1-N09-J28
Task 1822 of 4096 (1,1,2,0,1,14) R2E-M1-N09-J28
Task 1823 of 4096 (1,1,2,0,1,15) R2E-M1-N09-J28
Task 1824 of 4096 (1,1,2,1,0,0) R2E-M1-N09-J23
Task 1825 of 4096 (1,1,2,1,0,1) R2E-M1-N09-J23
Task 1826 of 4096 (1,1,2,1,0,2) R2E-M1-N09-J23
Task 1827 of 4096 (1,1,2,1,0,3) R2E-M1-N09-J23
Task 1828 of 4096 (1,1,2,1,0,4) R2E-M1-N09-J23
Task 1829 of 4096 (1,1,2,1,0,5) R2E-M1-N09-J23
Task 1830 of 4096 (1,1,2,1,0,6) R2E-M1-N09-J23
Task 1831 of 4096 (1,1,2,1,0,7) R2E-M1-N09-J23
Task 1832 of 4096 (1,1,2,1,0,8) R2E-M1-N09-J23
Task 1833 of 4096 (1,1,2,1,0,9) R2E-M1-N09-J23
Task 1834 of 4096 (1,1,2,1,0,10) R2E-M1-N09-J23
Task 1835 of 4096 (1,1,2,1,0,11) R2E-M1-N09-J23
Task 1836 of 4096 (1,1,2,1,0,12) R2E-M1-N09-J23
Task 1837 of 4096 (1,1,2,1,0,13) R2E-M1-N09-J23
Task 1838 of 4096 (1,1,2,1,0,14) R2E-M1-N09-J23
Task 1839 of 4096 (1,1,2,1,0,15) R2E-M1-N09-J23
Task 1840 of 4096 (1,1,2,1,1,0) R2E-M1-N09-J16
Task 1841 of 4096 (1,1,2,1,1,1) R2E-M1-N09-J16
Task 1842 of 4096 (1,1,2,1,1,2) R2E-M1-N09-J16
Task 1843 of 4096 (1,1,2,1,1,3) R2E-M1-N09-J16
Task 1844 of 4096 (1,1,2,1,1,4) R2E-M1-N09-J16
Task 1845 of 4096 (1,1,2,1,1,5) R2E-M1-N09-J16
Task 1846 of 4096 (1,1,2,1,1,6) R2E-M1-N09-J16
Task 1847 of 4096 (1,1,2,1,1,7) R2E-M1-N09-J16
Task 1848 of 4096 (1,1,2,1,1,8) R2E-M1-N09-J16
Task 1849 of 4096 (1,1,2,1,1,9) R2E-M1-N09-J16
Task 1850 of 4096 (1,1,2,1,1,10) R2E-M1-N09-J16
Task 1851 of 4096 (1,1,2,1,1,11) R2E-M1-N09-J16
Task 1852 of 4096 (1,1,2,1,1,12) R2E-M1-N09-J16
Task 1853 of 4096 (1,1,2,1,1,13) R2E-M1-N09-J16
Task 1854 of 4096 (1,1,2,1,1,14) R2E-M1-N09-J16
Task 1855 of 4096 (1,1,2,1,1,15) R2E-M1-N09-J16
Task 1856 of 4096 (1,1,2,2,0,0) R2E-M1-N11-J23
Task 1857 of 4096 (1,1,2,2,0,1) R2E-M1-N11-J23
Task 1858 of 4096 (1,1,2,2,0,2) R2E-M1-N11-J23
Task 1859 of 4096 (1,1,2,2,0,3) R2E-M1-N11-J23
Task 1860 of 4096 (1,1,2,2,0,4) R2E-M1-N11-J23
Task 1861 of 4096 (1,1,2,2,0,5) R2E-M1-N11-J23
Task 1862 of 4096 (1,1,2,2,0,6) R2E-M1-N11-J23
Task 1863 of 4096 (1,1,2,2,0,7) R2E-M1-N11-J23
Task 1864 of 4096 (1,1,2,2,0,8) R2E-M1-N11-J23
Task 1865 of 4096 (1,1,2,2,0,9) R2E-M1-N11-J23
Task 1866 of 4096 (1,1,2,2,0,10) R2E-M1-N11-J23
Task 1867 of 4096 (1,1,2,2,0,11) R2E-M1-N11-J23
Task 1868 of 4096 (1,1,2,2,0,12) R2E-M1-N11-J23
Task 1869 of 4096 (1,1,2,2,0,13) R2E-M1-N11-J23
Task 1870 of 4096 (1,1,2,2,0,14) R2E-M1-N11-J23
Task 1871 of 4096 (1,1,2,2,0,15) R2E-M1-N11-J23
Task 1872 of 4096 (1,1,2,2,1,0) R2E-M1-N11-J16
Task 1873 of 4096 (1,1,2,2,1,1) R2E-M1-N11-J16
Task 1874 of 4096 (1,1,2,2,1,2) R2E-M1-N11-J16
Task 1875 of 4096 (1,1,2,2,1,3) R2E-M1-N11-J16
Task 1876 of 4096 (1,1,2,2,1,4) R2E-M1-N11-J16
Task 1877 of 4096 (1,1,2,2,1,5) R2E-M1-N11-J16
Task 1878 of 4096 (1,1,2,2,1,6) R2E-M1-N11-J16
Task 1879 of 4096 (1,1,2,2,1,7) R2E-M1-N11-J16
Task 1880 of 4096 (1,1,2,2,1,8) R2E-M1-N11-J16
Task 1881 of 4096 (1,1,2,2,1,9) R2E-M1-N11-J16
Task 1882 of 4096 (1,1,2,2,1,10) R2E-M1-N11-J16
Task 1883 of 4096 (1,1,2,2,1,11) R2E-M1-N11-J16
Task 1884 of 4096 (1,1,2,2,1,12) R2E-M1-N11-J16
Task 1885 of 4096 (1,1,2,2,1,13) R2E-M1-N11-J16
Task 1886 of 4096 (1,1,2,2,1,14) R2E-M1-N11-J16
Task 1887 of 4096 (1,1,2,2,1,15) R2E-M1-N11-J16
Task 1888 of 4096 (1,1,2,3,0,0) R2E-M1-N11-J27
Task 1889 of 4096 (1,1,2,3,0,1) R2E-M1-N11-J27
Task 1890 of 4096 (1,1,2,3,0,2) R2E-M1-N11-J27
Task 1891 of 4096 (1,1,2,3,0,3) R2E-M1-N11-J27
Task 1892 of 4096 (1,1,2,3,0,4) R2E-M1-N11-J27
Task 1893 of 4096 (1,1,2,3,0,5) R2E-M1-N11-J27
Task 1894 of 4096 (1,1,2,3,0,6) R2E-M1-N11-J27
Task 1895 of 4096 (1,1,2,3,0,7) R2E-M1-N11-J27
Task 1896 of 4096 (1,1,2,3,0,8) R2E-M1-N11-J27
Task 1897 of 4096 (1,1,2,3,0,9) R2E-M1-N11-J27
Task 1898 of 4096 (1,1,2,3,0,10) R2E-M1-N11-J27
Task 1899 of 4096 (1,1,2,3,0,11) R2E-M1-N11-J27
Task 1900 of 4096 (1,1,2,3,0,12) R2E-M1-N11-J27
Task 1901 of 4096 (1,1,2,3,0,13) R2E-M1-N11-J27
Task 1902 of 4096 (1,1,2,3,0,14) R2E-M1-N11-J27
Task 1903 of 4096 (1,1,2,3,0,15) R2E-M1-N11-J27
Task 1904 of 4096 (1,1,2,3,1,0) R2E-M1-N11-J28
Task 1905 of 4096 (1,1,2,3,1,1) R2E-M1-N11-J28
Task 1906 of 4096 (1,1,2,3,1,2) R2E-M1-N11-J28
Task 1907 of 4096 (1,1,2,3,1,3) R2E-M1-N11-J28
Task 1908 of 4096 (1,1,2,3,1,4) R2E-M1-N11-J28
Task 1909 of 4096 (1,1,2,3,1,5) R2E-M1-N11-J28
Task 1910 of 4096 (1,1,2,3,1,6) R2E-M1-N11-J28
Task 1911 of 4096 (1,1,2,3,1,7) R2E-M1-N11-J28
Task 1912 of 4096 (1,1,2,3,1,8) R2E-M1-N11-J28
Task 1913 of 4096 (1,1,2,3,1,9) R2E-M1-N11-J28
Task 1914 of 4096 (1,1,2,3,1,10) R2E-M1-N11-J28
Task 1915 of 4096 (1,1,2,3,1,11) R2E-M1-N11-J28
Task 1916 of 4096 (1,1,2,3,1,12) R2E-M1-N11-J28
Task 1917 of 4096 (1,1,2,3,1,13) R2E-M1-N11-J28
Task 1918 of 4096 (1,1,2,3,1,14) R2E-M1-N11-J28
Task 1919 of 4096 (1,1,2,3,1,15) R2E-M1-N11-J28
Task 1920 of 4096 (1,1,3,0,0,0) R2E-M1-N09-J26
Task 1921 of 4096 (1,1,3,0,0,1) R2E-M1-N09-J26
Task 1922 of 4096 (1,1,3,0,0,2) R2E-M1-N09-J26
Task 1923 of 4096 (1,1,3,0,0,3) R2E-M1-N09-J26
Task 1924 of 4096 (1,1,3,0,0,4) R2E-M1-N09-J26
Task 1925 of 4096 (1,1,3,0,0,5) R2E-M1-N09-J26
Task 1926 of 4096 (1,1,3,0,0,6) R2E-M1-N09-J26
Task 1927 of 4096 (1,1,3,0,0,7) R2E-M1-N09-J26
Task 1928 of 4096 (1,1,3,0,0,8) R2E-M1-N09-J26
Task 1929 of 4096 (1,1,3,0,0,9) R2E-M1-N09-J26
Task 1930 of 4096 (1,1,3,0,0,10) R2E-M1-N09-J26
Task 1931 of 4096 (1,1,3,0,0,11) R2E-M1-N09-J26
Task 1932 of 4096 (1,1,3,0,0,12) R2E-M1-N09-J26
Task 1933 of 4096 (1,1,3,0,0,13) R2E-M1-N09-J26
Task 1934 of 4096 (1,1,3,0,0,14) R2E-M1-N09-J26
Task 1935 of 4096 (1,1,3,0,0,15) R2E-M1-N09-J26
Task 1936 of 4096 (1,1,3,0,1,0) R2E-M1-N09-J29
Task 1937 of 4096 (1,1,3,0,1,1) R2E-M1-N09-J29
Task 1938 of 4096 (1,1,3,0,1,2) R2E-M1-N09-J29
Task 1939 of 4096 (1,1,3,0,1,3) R2E-M1-N09-J29
Task 1940 of 4096 (1,1,3,0,1,4) R2E-M1-N09-J29
Task 1941 of 4096 (1,1,3,0,1,5) R2E-M1-N09-J29
Task 1942 of 4096 (1,1,3,0,1,6) R2E-M1-N09-J29
Task 1943 of 4096 (1,1,3,0,1,7) R2E-M1-N09-J29
Task 1944 of 4096 (1,1,3,0,1,8) R2E-M1-N09-J29
Task 1945 of 4096 (1,1,3,0,1,9) R2E-M1-N09-J29
Task 1946 of 4096 (1,1,3,0,1,10) R2E-M1-N09-J29
Task 1947 of 4096 (1,1,3,0,1,11) R2E-M1-N09-J29
Task 1948 of 4096 (1,1,3,0,1,12) R2E-M1-N09-J29
Task 1949 of 4096 (1,1,3,0,1,13) R2E-M1-N09-J29
Task 1950 of 4096 (1,1,3,0,1,14) R2E-M1-N09-J29
Task 1951 of 4096 (1,1,3,0,1,15) R2E-M1-N09-J29
Task 1952 of 4096 (1,1,3,1,0,0) R2E-M1-N09-J22
Task 1953 of 4096 (1,1,3,1,0,1) R2E-M1-N09-J22
Task 1954 of 4096 (1,1,3,1,0,2) R2E-M1-N09-J22
Task 1955 of 4096 (1,1,3,1,0,3) R2E-M1-N09-J22
Task 1956 of 4096 (1,1,3,1,0,4) R2E-M1-N09-J22
Task 1957 of 4096 (1,1,3,1,0,5) R2E-M1-N09-J22
Task 1958 of 4096 (1,1,3,1,0,6) R2E-M1-N09-J22
Task 1959 of 4096 (1,1,3,1,0,7) R2E-M1-N09-J22
Task 1960 of 4096 (1,1,3,1,0,8) R2E-M1-N09-J22
Task 1961 of 4096 (1,1,3,1,0,9) R2E-M1-N09-J22
Task 1962 of 4096 (1,1,3,1,0,10) R2E-M1-N09-J22
Task 1963 of 4096 (1,1,3,1,0,11) R2E-M1-N09-J22
Task 1964 of 4096 (1,1,3,1,0,12) R2E-M1-N09-J22
Task 1965 of 4096 (1,1,3,1,0,13) R2E-M1-N09-J22
Task 1966 of 4096 (1,1,3,1,0,14) R2E-M1-N09-J22
Task 1967 of 4096 (1,1,3,1,0,15) R2E-M1-N09-J22
Task 1968 of 4096 (1,1,3,1,1,0) R2E-M1-N09-J17
Task 1969 of 4096 (1,1,3,1,1,1) R2E-M1-N09-J17
Task 1970 of 4096 (1,1,3,1,1,2) R2E-M1-N09-J17
Task 1971 of 4096 (1,1,3,1,1,3) R2E-M1-N09-J17
Task 1972 of 4096 (1,1,3,1,1,4) R2E-M1-N09-J17
Task 1973 of 4096 (1,1,3,1,1,5) R2E-M1-N09-J17
Task 1974 of 4096 (1,1,3,1,1,6) R2E-M1-N09-J17
Task 1975 of 4096 (1,1,3,1,1,7) R2E-M1-N09-J17
Task 1976 of 4096 (1,1,3,1,1,8) R2E-M1-N09-J17
Task 1977 of 4096 (1,1,3,1,1,9) R2E-M1-N09-J17
Task 1978 of 4096 (1,1,3,1,1,10) R2E-M1-N09-J17
Task 1979 of 4096 (1,1,3,1,1,11) R2E-M1-N09-J17
Task 1980 of 4096 (1,1,3,1,1,12) R2E-M1-N09-J17
Task 1981 of 4096 (1,1,3,1,1,13) R2E-M1-N09-J17
Task 1982 of 4096 (1,1,3,1,1,14) R2E-M1-N09-J17
Task 1983 of 4096 (1,1,3,1,1,15) R2E-M1-N09-J17
Task 1984 of 4096 (1,1,3,2,0,0) R2E-M1-N11-J22
Task 1985 of 4096 (1,1,3,2,0,1) R2E-M1-N11-J22
Task 1986 of 4096 (1,1,3,2,0,2) R2E-M1-N11-J22
Task 1987 of 4096 (1,1,3,2,0,3) R2E-M1-N11-J22
Task 1988 of 4096 (1,1,3,2,0,4) R2E-M1-N11-J22
Task 1989 of 4096 (1,1,3,2,0,5) R2E-M1-N11-J22
Task 1990 of 4096 (1,1,3,2,0,6) R2E-M1-N11-J22
Task 1991 of 4096 (1,1,3,2,0,7) R2E-M1-N11-J22
Task 1992 of 4096 (1,1,3,2,0,8) R2E-M1-N11-J22
Task 1993 of 4096 (1,1,3,2,0,9) R2E-M1-N11-J22
Task 1994 of 4096 (1,1,3,2,0,10) R2E-M1-N11-J22
Task 1995 of 4096 (1,1,3,2,0,11) R2E-M1-N11-J22
Task 1996 of 4096 (1,1,3,2,0,12) R2E-M1-N11-J22
Task 1997 of 4096 (1,1,3,2,0,13) R2E-M1-N11-J22
Task 1998 of 4096 (1,1,3,2,0,14) R2E-M1-N11-J22
Task 1999 of 4096 (1,1,3,2,0,15) R2E-M1-N11-J22
Task 2000 of 4096 (1,1,3,2,1,0) R2E-M1-N11-J17
Task 2001 of 4096 (1,1,3,2,1,1) R2E-M1-N11-J17
Task 2002 of 4096 (1,1,3,2,1,2) R2E-M1-N11-J17
Task 2003 of 4096 (1,1,3,2,1,3) R2E-M1-N11-J17
Task 2004 of 4096 (1,1,3,2,1,4) R2E-M1-N11-J17
Task 2005 of 4096 (1,1,3,2,1,5) R2E-M1-N11-J17
Task 2006 of 4096 (1,1,3,2,1,6) R2E-M1-N11-J17
Task 2007 of 4096 (1,1,3,2,1,7) R2E-M1-N11-J17
Task 2008 of 4096 (1,1,3,2,1,8) R2E-M1-N11-J17
Task 2009 of 4096 (1,1,3,2,1,9) R2E-M1-N11-J17
Task 2010 of 4096 (1,1,3,2,1,10) R2E-M1-N11-J17
Task 2011 of 4096 (1,1,3,2,1,11) R2E-M1-N11-J17
Task 2012 of 4096 (1,1,3,2,1,12) R2E-M1-N11-J17
Task 2013 of 4096 (1,1,3,2,1,13) R2E-M1-N11-J17
Task 2014 of 4096 (1,1,3,2,1,14) R2E-M1-N11-J17
Task 2015 of 4096 (1,1,3,2,1,15) R2E-M1-N11-J17
Task 2016 of 4096 (1,1,3,3,0,0) R2E-M1-N11-J26
Task 2017 of 4096 (1,1,3,3,0,1) R2E-M1-N11-J26
Task 2018 of 4096 (1,1,3,3,0,2) R2E-M1-N11-J26
Task 2019 of 4096 (1,1,3,3,0,3) R2E-M1-N11-J26
Task 2020 of 4096 (1,1,3,3,0,4) R2E-M1-N11-J26
Task 2021 of 4096 (1,1,3,3,0,5) R2E-M1-N11-J26
Task 2022 of 4096 (1,1,3,3,0,6) R2E-M1-N11-J26
Task 2023 of 4096 (1,1,3,3,0,7) R2E-M1-N11-J26
Task 2024 of 4096 (1,1,3,3,0,8) R2E-M1-N11-J26
Task 2025 of 4096 (1,1,3,3,0,9) R2E-M1-N11-J26
Task 2026 of 4096 (1,1,3,3,0,10) R2E-M1-N11-J26
Task 2027 of 4096 (1,1,3,3,0,11) R2E-M1-N11-J26
Task 2028 of 4096 (1,1,3,3,0,12) R2E-M1-N11-J26
Task 2029 of 4096 (1,1,3,3,0,13) R2E-M1-N11-J26
Task 2030 of 4096 (1,1,3,3,0,14) R2E-M1-N11-J26
Task 2031 of 4096 (1,1,3,3,0,15) R2E-M1-N11-J26
Task 2032 of 4096 (1,1,3,3,1,0) R2E-M1-N11-J29
Task 2033 of 4096 (1,1,3,3,1,1) R2E-M1-N11-J29
Task 2034 of 4096 (1,1,3,3,1,2) R2E-M1-N11-J29
Task 2035 of 4096 (1,1,3,3,1,3) R2E-M1-N11-J29
Task 2036 of 4096 (1,1,3,3,1,4) R2E-M1-N11-J29
Task 2037 of 4096 (1,1,3,3,1,5) R2E-M1-N11-J29
Task 2038 of 4096 (1,1,3,3,1,6) R2E-M1-N11-J29
Task 2039 of 4096 (1,1,3,3,1,7) R2E-M1-N11-J29
Task 2040 of 4096 (1,1,3,3,1,8) R2E-M1-N11-J29
Task 2041 of 4096 (1,1,3,3,1,9) R2E-M1-N11-J29
Task 2042 of 4096 (1,1,3,3,1,10) R2E-M1-N11-J29
Task 2043 of 4096 (1,1,3,3,1,11) R2E-M1-N11-J29
Task 2044 of 4096 (1,1,3,3,1,12) R2E-M1-N11-J29
Task 2045 of 4096 (1,1,3,3,1,13) R2E-M1-N11-J29
Task 2046 of 4096 (1,1,3,3,1,14) R2E-M1-N11-J29
Task 2047 of 4096 (1,1,3,3,1,15) R2E-M1-N11-J29
Task 2048 of 4096 (2,0,0,0,0,0) R2E-M1-N12-J25
Task 2049 of 4096 (2,0,0,0,0,1) R2E-M1-N12-J25
Task 2050 of 4096 (2,0,0,0,0,2) R2E-M1-N12-J25
Task 2051 of 4096 (2,0,0,0,0,3) R2E-M1-N12-J25
Task 2052 of 4096 (2,0,0,0,0,4) R2E-M1-N12-J25
Task 2053 of 4096 (2,0,0,0,0,5) R2E-M1-N12-J25
Task 2054 of 4096 (2,0,0,0,0,6) R2E-M1-N12-J25
Task 2055 of 4096 (2,0,0,0,0,7) R2E-M1-N12-J25
Task 2056 of 4096 (2,0,0,0,0,8) R2E-M1-N12-J25
Task 2057 of 4096 (2,0,0,0,0,9) R2E-M1-N12-J25
Task 2058 of 4096 (2,0,0,0,0,10) R2E-M1-N12-J25
Task 2059 of 4096 (2,0,0,0,0,11) R2E-M1-N12-J25
Task 2060 of 4096 (2,0,0,0,0,12) R2E-M1-N12-J25
Task 2061 of 4096 (2,0,0,0,0,13) R2E-M1-N12-J25
Task 2062 of 4096 (2,0,0,0,0,14) R2E-M1-N12-J25
Task 2063 of 4096 (2,0,0,0,0,15) R2E-M1-N12-J25
Task 2064 of 4096 (2,0,0,0,1,0) R2E-M1-N12-J30
Task 2065 of 4096 (2,0,0,0,1,1) R2E-M1-N12-J30
Task 2066 of 4096 (2,0,0,0,1,2) R2E-M1-N12-J30
Task 2067 of 4096 (2,0,0,0,1,3) R2E-M1-N12-J30
Task 2068 of 4096 (2,0,0,0,1,4) R2E-M1-N12-J30
Task 2069 of 4096 (2,0,0,0,1,5) R2E-M1-N12-J30
Task 2070 of 4096 (2,0,0,0,1,6) R2E-M1-N12-J30
Task 2071 of 4096 (2,0,0,0,1,7) R2E-M1-N12-J30
Task 2072 of 4096 (2,0,0,0,1,8) R2E-M1-N12-J30
Task 2073 of 4096 (2,0,0,0,1,9) R2E-M1-N12-J30
Task 2074 of 4096 (2,0,0,0,1,10) R2E-M1-N12-J30
Task 2075 of 4096 (2,0,0,0,1,11) R2E-M1-N12-J30
Task 2076 of 4096 (2,0,0,0,1,12) R2E-M1-N12-J30
Task 2077 of 4096 (2,0,0,0,1,13) R2E-M1-N12-J30
Task 2078 of 4096 (2,0,0,0,1,14) R2E-M1-N12-J30
Task 2079 of 4096 (2,0,0,0,1,15) R2E-M1-N12-J30
Task 2080 of 4096 (2,0,0,1,0,0) R2E-M1-N12-J21
Task 2081 of 4096 (2,0,0,1,0,1) R2E-M1-N12-J21
Task 2082 of 4096 (2,0,0,1,0,2) R2E-M1-N12-J21
Task 2083 of 4096 (2,0,0,1,0,3) R2E-M1-N12-J21
Task 2084 of 4096 (2,0,0,1,0,4) R2E-M1-N12-J21
Task 2085 of 4096 (2,0,0,1,0,5) R2E-M1-N12-J21
Task 2086 of 4096 (2,0,0,1,0,6) R2E-M1-N12-J21
Task 2087 of 4096 (2,0,0,1,0,7) R2E-M1-N12-J21
Task 2088 of 4096 (2,0,0,1,0,8) R2E-M1-N12-J21
Task 2089 of 4096 (2,0,0,1,0,9) R2E-M1-N12-J21
Task 2090 of 4096 (2,0,0,1,0,10) R2E-M1-N12-J21
Task 2091 of 4096 (2,0,0,1,0,11) R2E-M1-N12-J21
Task 2092 of 4096 (2,0,0,1,0,12) R2E-M1-N12-J21
Task 2093 of 4096 (2,0,0,1,0,13) R2E-M1-N12-J21
Task 2094 of 4096 (2,0,0,1,0,14) R2E-M1-N12-J21
Task 2095 of 4096 (2,0,0,1,0,15) R2E-M1-N12-J21
Task 2096 of 4096 (2,0,0,1,1,0) R2E-M1-N12-J18
Task 2097 of 4096 (2,0,0,1,1,1) R2E-M1-N12-J18
Task 2098 of 4096 (2,0,0,1,1,2) R2E-M1-N12-J18
Task 2099 of 4096 (2,0,0,1,1,3) R2E-M1-N12-J18
Task 2100 of 4096 (2,0,0,1,1,4) R2E-M1-N12-J18
Task 2101 of 4096 (2,0,0,1,1,5) R2E-M1-N12-J18
Task 2102 of 4096 (2,0,0,1,1,6) R2E-M1-N12-J18
Task 2103 of 4096 (2,0,0,1,1,7) R2E-M1-N12-J18
Task 2104 of 4096 (2,0,0,1,1,8) R2E-M1-N12-J18
Task 2105 of 4096 (2,0,0,1,1,9) R2E-M1-N12-J18
Task 2106 of 4096 (2,0,0,1,1,10) R2E-M1-N12-J18
Task 2107 of 4096 (2,0,0,1,1,11) R2E-M1-N12-J18
Task 2108 of 4096 (2,0,0,1,1,12) R2E-M1-N12-J18
Task 2109 of 4096 (2,0,0,1,1,13) R2E-M1-N12-J18
Task 2110 of 4096 (2,0,0,1,1,14) R2E-M1-N12-J18
Task 2111 of 4096 (2,0,0,1,1,15) R2E-M1-N12-J18
Task 2112 of 4096 (2,0,0,2,0,0) R2E-M1-N14-J21
Task 2113 of 4096 (2,0,0,2,0,1) R2E-M1-N14-J21
Task 2114 of 4096 (2,0,0,2,0,2) R2E-M1-N14-J21
Task 2115 of 4096 (2,0,0,2,0,3) R2E-M1-N14-J21
Task 2116 of 4096 (2,0,0,2,0,4) R2E-M1-N14-J21
Task 2117 of 4096 (2,0,0,2,0,5) R2E-M1-N14-J21
Task 2118 of 4096 (2,0,0,2,0,6) R2E-M1-N14-J21
Task 2119 of 4096 (2,0,0,2,0,7) R2E-M1-N14-J21
Task 2120 of 4096 (2,0,0,2,0,8) R2E-M1-N14-J21
Task 2121 of 4096 (2,0,0,2,0,9) R2E-M1-N14-J21
Task 2122 of 4096 (2,0,0,2,0,10) R2E-M1-N14-J21
Task 2123 of 4096 (2,0,0,2,0,11) R2E-M1-N14-J21
Task 2124 of 4096 (2,0,0,2,0,12) R2E-M1-N14-J21
Task 2125 of 4096 (2,0,0,2,0,13) R2E-M1-N14-J21
Task 2126 of 4096 (2,0,0,2,0,14) R2E-M1-N14-J21
Task 2127 of 4096 (2,0,0,2,0,15) R2E-M1-N14-J21
Task 2128 of 4096 (2,0,0,2,1,0) R2E-M1-N14-J18
Task 2129 of 4096 (2,0,0,2,1,1) R2E-M1-N14-J18
Task 2130 of 4096 (2,0,0,2,1,2) R2E-M1-N14-J18
Task 2131 of 4096 (2,0,0,2,1,3) R2E-M1-N14-J18
Task 2132 of 4096 (2,0,0,2,1,4) R2E-M1-N14-J18
Task 2133 of 4096 (2,0,0,2,1,5) R2E-M1-N14-J18
Task 2134 of 4096 (2,0,0,2,1,6) R2E-M1-N14-J18
Task 2135 of 4096 (2,0,0,2,1,7) R2E-M1-N14-J18
Task 2136 of 4096 (2,0,0,2,1,8) R2E-M1-N14-J18
Task 2137 of 4096 (2,0,0,2,1,9) R2E-M1-N14-J18
Task 2138 of 4096 (2,0,0,2,1,10) R2E-M1-N14-J18
Task 2139 of 4096 (2,0,0,2,1,11) R2E-M1-N14-J18
Task 2140 of 4096 (2,0,0,2,1,12) R2E-M1-N14-J18
Task 2141 of 4096 (2,0,0,2,1,13) R2E-M1-N14-J18
Task 2142 of 4096 (2,0,0,2,1,14) R2E-M1-N14-J18
Task 2143 of 4096 (2,0,0,2,1,15) R2E-M1-N14-J18
Task 2144 of 4096 (2,0,0,3,0,0) R2E-M1-N14-J25
Task 2145 of 4096 (2,0,0,3,0,1) R2E-M1-N14-J25
Task 2146 of 4096 (2,0,0,3,0,2) R2E-M1-N14-J25
Task 2147 of 4096 (2,0,0,3,0,3) R2E-M1-N14-J25
Task 2148 of 4096 (2,0,0,3,0,4) R2E-M1-N14-J25
Task 2149 of 4096 (2,0,0,3,0,5) R2E-M1-N14-J25
Task 2150 of 4096 (2,0,0,3,0,6) R2E-M1-N14-J25
Task 2151 of 4096 (2,0,0,3,0,7) R2E-M1-N14-J25
Task 2152 of 4096 (2,0,0,3,0,8) R2E-M1-N14-J25
Task 2153 of 4096 (2,0,0,3,0,9) R2E-M1-N14-J25
Task 2154 of 4096 (2,0,0,3,0,10) R2E-M1-N14-J25
Task 2155 of 4096 (2,0,0,3,0,11) R2E-M1-N14-J25
Task 2156 of 4096 (2,0,0,3,0,12) R2E-M1-N14-J25
Task 2157 of 4096 (2,0,0,3,0,13) R2E-M1-N14-J25
Task 2158 of 4096 (2,0,0,3,0,14) R2E-M1-N14-J25
Task 2159 of 4096 (2,0,0,3,0,15) R2E-M1-N14-J25
Task 2160 of 4096 (2,0,0,3,1,0) R2E-M1-N14-J30
Task 2161 of 4096 (2,0,0,3,1,1) R2E-M1-N14-J30
Task 2162 of 4096 (2,0,0,3,1,2) R2E-M1-N14-J30
Task 2163 of 4096 (2,0,0,3,1,3) R2E-M1-N14-J30
Task 2164 of 4096 (2,0,0,3,1,4) R2E-M1-N14-J30
Task 2165 of 4096 (2,0,0,3,1,5) R2E-M1-N14-J30
Task 2166 of 4096 (2,0,0,3,1,6) R2E-M1-N14-J30
Task 2167 of 4096 (2,0,0,3,1,7) R2E-M1-N14-J30
Task 2168 of 4096 (2,0,0,3,1,8) R2E-M1-N14-J30
Task 2169 of 4096 (2,0,0,3,1,9) R2E-M1-N14-J30
Task 2170 of 4096 (2,0,0,3,1,10) R2E-M1-N14-J30
Task 2171 of 4096 (2,0,0,3,1,11) R2E-M1-N14-J30
Task 2172 of 4096 (2,0,0,3,1,12) R2E-M1-N14-J30
Task 2173 of 4096 (2,0,0,3,1,13) R2E-M1-N14-J30
Task 2174 of 4096 (2,0,0,3,1,14) R2E-M1-N14-J30
Task 2175 of 4096 (2,0,0,3,1,15) R2E-M1-N14-J30
Task 2176 of 4096 (2,0,1,0,0,0) R2E-M1-N12-J24
Task 2177 of 4096 (2,0,1,0,0,1) R2E-M1-N12-J24
Task 2178 of 4096 (2,0,1,0,0,2) R2E-M1-N12-J24
Task 2179 of 4096 (2,0,1,0,0,3) R2E-M1-N12-J24
Task 2180 of 4096 (2,0,1,0,0,4) R2E-M1-N12-J24
Task 2181 of 4096 (2,0,1,0,0,5) R2E-M1-N12-J24
Task 2182 of 4096 (2,0,1,0,0,6) R2E-M1-N12-J24
Task 2183 of 4096 (2,0,1,0,0,7) R2E-M1-N12-J24
Task 2184 of 4096 (2,0,1,0,0,8) R2E-M1-N12-J24
Task 2185 of 4096 (2,0,1,0,0,9) R2E-M1-N12-J24
Task 2186 of 4096 (2,0,1,0,0,10) R2E-M1-N12-J24
Task 2187 of 4096 (2,0,1,0,0,11) R2E-M1-N12-J24
Task 2188 of 4096 (2,0,1,0,0,12) R2E-M1-N12-J24
Task 2189 of 4096 (2,0,1,0,0,13) R2E-M1-N12-J24
Task 2190 of 4096 (2,0,1,0,0,14) R2E-M1-N12-J24
Task 2191 of 4096 (2,0,1,0,0,15) R2E-M1-N12-J24
Task 2192 of 4096 (2,0,1,0,1,0) R2E-M1-N12-J31
Task 2193 of 4096 (2,0,1,0,1,1) R2E-M1-N12-J31
Task 2194 of 4096 (2,0,1,0,1,2) R2E-M1-N12-J31
Task 2195 of 4096 (2,0,1,0,1,3) R2E-M1-N12-J31
Task 2196 of 4096 (2,0,1,0,1,4) R2E-M1-N12-J31
Task 2197 of 4096 (2,0,1,0,1,5) R2E-M1-N12-J31
Task 2198 of 4096 (2,0,1,0,1,6) R2E-M1-N12-J31
Task 2199 of 4096 (2,0,1,0,1,7) R2E-M1-N12-J31
Task 2200 of 4096 (2,0,1,0,1,8) R2E-M1-N12-J31
Task 2201 of 4096 (2,0,1,0,1,9) R2E-M1-N12-J31
Task 2202 of 4096 (2,0,1,0,1,10) R2E-M1-N12-J31
Task 2203 of 4096 (2,0,1,0,1,11) R2E-M1-N12-J31
Task 2204 of 4096 (2,0,1,0,1,12) R2E-M1-N12-J31
Task 2205 of 4096 (2,0,1,0,1,13) R2E-M1-N12-J31
Task 2206 of 4096 (2,0,1,0,1,14) R2E-M1-N12-J31
Task 2207 of 4096 (2,0,1,0,1,15) R2E-M1-N12-J31
Task 2208 of 4096 (2,0,1,1,0,0) R2E-M1-N12-J20
Task 2209 of 4096 (2,0,1,1,0,1) R2E-M1-N12-J20
Task 2210 of 4096 (2,0,1,1,0,2) R2E-M1-N12-J20
Task 2211 of 4096 (2,0,1,1,0,3) R2E-M1-N12-J20
Task 2212 of 4096 (2,0,1,1,0,4) R2E-M1-N12-J20
Task 2213 of 4096 (2,0,1,1,0,5) R2E-M1-N12-J20
Task 2214 of 4096 (2,0,1,1,0,6) R2E-M1-N12-J20
Task 2215 of 4096 (2,0,1,1,0,7) R2E-M1-N12-J20
Task 2216 of 4096 (2,0,1,1,0,8) R2E-M1-N12-J20
Task 2217 of 4096 (2,0,1,1,0,9) R2E-M1-N12-J20
Task 2218 of 4096 (2,0,1,1,0,10) R2E-M1-N12-J20
Task 2219 of 4096 (2,0,1,1,0,11) R2E-M1-N12-J20
Task 2220 of 4096 (2,0,1,1,0,12) R2E-M1-N12-J20
Task 2221 of 4096 (2,0,1,1,0,13) R2E-M1-N12-J20
Task 2222 of 4096 (2,0,1,1,0,14) R2E-M1-N12-J20
Task 2223 of 4096 (2,0,1,1,0,15) R2E-M1-N12-J20
Task 2224 of 4096 (2,0,1,1,1,0) R2E-M1-N12-J19
Task 2225 of 4096 (2,0,1,1,1,1) R2E-M1-N12-J19
Task 2226 of 4096 (2,0,1,1,1,2) R2E-M1-N12-J19
Task 2227 of 4096 (2,0,1,1,1,3) R2E-M1-N12-J19
Task 2228 of 4096 (2,0,1,1,1,4) R2E-M1-N12-J19
Task 2229 of 4096 (2,0,1,1,1,5) R2E-M1-N12-J19
Task 2230 of 4096 (2,0,1,1,1,6) R2E-M1-N12-J19
Task 2231 of 4096 (2,0,1,1,1,7) R2E-M1-N12-J19
Task 2232 of 4096 (2,0,1,1,1,8) R2E-M1-N12-J19
Task 2233 of 4096 (2,0,1,1,1,9) R2E-M1-N12-J19
Task 2234 of 4096 (2,0,1,1,1,10) R2E-M1-N12-J19
Task 2235 of 4096 (2,0,1,1,1,11) R2E-M1-N12-J19
Task 2236 of 4096 (2,0,1,1,1,12) R2E-M1-N12-J19
Task 2237 of 4096 (2,0,1,1,1,13) R2E-M1-N12-J19
Task 2238 of 4096 (2,0,1,1,1,14) R2E-M1-N12-J19
Task 2239 of 4096 (2,0,1,1,1,15) R2E-M1-N12-J19
Task 2240 of 4096 (2,0,1,2,0,0) R2E-M1-N14-J20
Task 2241 of 4096 (2,0,1,2,0,1) R2E-M1-N14-J20
Task 2242 of 4096 (2,0,1,2,0,2) R2E-M1-N14-J20
Task 2243 of 4096 (2,0,1,2,0,3) R2E-M1-N14-J20
Task 2244 of 4096 (2,0,1,2,0,4) R2E-M1-N14-J20
Task 2245 of 4096 (2,0,1,2,0,5) R2E-M1-N14-J20
Task 2246 of 4096 (2,0,1,2,0,6) R2E-M1-N14-J20
Task 2247 of 4096 (2,0,1,2,0,7) R2E-M1-N14-J20
Task 2248 of 4096 (2,0,1,2,0,8) R2E-M1-N14-J20
Task 2249 of 4096 (2,0,1,2,0,9) R2E-M1-N14-J20
Task 2250 of 4096 (2,0,1,2,0,10) R2E-M1-N14-J20
Task 2251 of 4096 (2,0,1,2,0,11) R2E-M1-N14-J20
Task 2252 of 4096 (2,0,1,2,0,12) R2E-M1-N14-J20
Task 2253 of 4096 (2,0,1,2,0,13) R2E-M1-N14-J20
Task 2254 of 4096 (2,0,1,2,0,14) R2E-M1-N14-J20
Task 2255 of 4096 (2,0,1,2,0,15) R2E-M1-N14-J20
Task 2256 of 4096 (2,0,1,2,1,0) R2E-M1-N14-J19
Task 2257 of 4096 (2,0,1,2,1,1) R2E-M1-N14-J19
Task 2258 of 4096 (2,0,1,2,1,2) R2E-M1-N14-J19
Task 2259 of 4096 (2,0,1,2,1,3) R2E-M1-N14-J19
Task 2260 of 4096 (2,0,1,2,1,4) R2E-M1-N14-J19
Task 2261 of 4096 (2,0,1,2,1,5) R2E-M1-N14-J19
Task 2262 of 4096 (2,0,1,2,1,6) R2E-M1-N14-J19
Task 2263 of 4096 (2,0,1,2,1,7) R2E-M1-N14-J19
Task 2264 of 4096 (2,0,1,2,1,8) R2E-M1-N14-J19
Task 2265 of 4096 (2,0,1,2,1,9) R2E-M1-N14-J19
Task 2266 of 4096 (2,0,1,2,1,10) R2E-M1-N14-J19
Task 2267 of 4096 (2,0,1,2,1,11) R2E-M1-N14-J19
Task 2268 of 4096 (2,0,1,2,1,12) R2E-M1-N14-J19
Task 2269 of 4096 (2,0,1,2,1,13) R2E-M1-N14-J19
Task 2270 of 4096 (2,0,1,2,1,14) R2E-M1-N14-J19
Task 2271 of 4096 (2,0,1,2,1,15) R2E-M1-N14-J19
Task 2272 of 4096 (2,0,1,3,0,0) R2E-M1-N14-J24
Task 2273 of 4096 (2,0,1,3,0,1) R2E-M1-N14-J24
Task 2274 of 4096 (2,0,1,3,0,2) R2E-M1-N14-J24
Task 2275 of 4096 (2,0,1,3,0,3) R2E-M1-N14-J24
Task 2276 of 4096 (2,0,1,3,0,4) R2E-M1-N14-J24
Task 2277 of 4096 (2,0,1,3,0,5) R2E-M1-N14-J24
Task 2278 of 4096 (2,0,1,3,0,6) R2E-M1-N14-J24
Task 2279 of 4096 (2,0,1,3,0,7) R2E-M1-N14-J24
Task 2280 of 4096 (2,0,1,3,0,8) R2E-M1-N14-J24
Task 2281 of 4096 (2,0,1,3,0,9) R2E-M1-N14-J24
Task 2282 of 4096 (2,0,1,3,0,10) R2E-M1-N14-J24
Task 2283 of 4096 (2,0,1,3,0,11) R2E-M1-N14-J24
Task 2284 of 4096 (2,0,1,3,0,12) R2E-M1-N14-J24
Task 2285 of 4096 (2,0,1,3,0,13) R2E-M1-N14-J24
Task 2286 of 4096 (2,0,1,3,0,14) R2E-M1-N14-J24
Task 2287 of 4096 (2,0,1,3,0,15) R2E-M1-N14-J24
Task 2288 of 4096 (2,0,1,3,1,0) R2E-M1-N14-J31
Task 2289 of 4096 (2,0,1,3,1,1) R2E-M1-N14-J31
Task 2290 of 4096 (2,0,1,3,1,2) R2E-M1-N14-J31
Task 2291 of 4096 (2,0,1,3,1,3) R2E-M1-N14-J31
Task 2292 of 4096 (2,0,1,3,1,4) R2E-M1-N14-J31
Task 2293 of 4096 (2,0,1,3,1,5) R2E-M1-N14-J31
Task 2294 of 4096 (2,0,1,3,1,6) R2E-M1-N14-J31
Task 2295 of 4096 (2,0,1,3,1,7) R2E-M1-N14-J31
Task 2296 of 4096 (2,0,1,3,1,8) R2E-M1-N14-J31
Task 2297 of 4096 (2,0,1,3,1,9) R2E-M1-N14-J31
Task 2298 of 4096 (2,0,1,3,1,10) R2E-M1-N14-J31
Task 2299 of 4096 (2,0,1,3,1,11) R2E-M1-N14-J31
Task 2300 of 4096 (2,0,1,3,1,12) R2E-M1-N14-J31
Task 2301 of 4096 (2,0,1,3,1,13) R2E-M1-N14-J31
Task 2302 of 4096 (2,0,1,3,1,14) R2E-M1-N14-J31
Task 2303 of 4096 (2,0,1,3,1,15) R2E-M1-N14-J31
Task 2304 of 4096 (2,0,2,0,0,0) R2E-M1-N13-J24
Task 2305 of 4096 (2,0,2,0,0,1) R2E-M1-N13-J24
Task 2306 of 4096 (2,0,2,0,0,2) R2E-M1-N13-J24
Task 2307 of 4096 (2,0,2,0,0,3) R2E-M1-N13-J24
Task 2308 of 4096 (2,0,2,0,0,4) R2E-M1-N13-J24
Task 2309 of 4096 (2,0,2,0,0,5) R2E-M1-N13-J24
Task 2310 of 4096 (2,0,2,0,0,6) R2E-M1-N13-J24
Task 2311 of 4096 (2,0,2,0,0,7) R2E-M1-N13-J24
Task 2312 of 4096 (2,0,2,0,0,8) R2E-M1-N13-J24
Task 2313 of 4096 (2,0,2,0,0,9) R2E-M1-N13-J24
Task 2314 of 4096 (2,0,2,0,0,10) R2E-M1-N13-J24
Task 2315 of 4096 (2,0,2,0,0,11) R2E-M1-N13-J24
Task 2316 of 4096 (2,0,2,0,0,12) R2E-M1-N13-J24
Task 2317 of 4096 (2,0,2,0,0,13) R2E-M1-N13-J24
Task 2318 of 4096 (2,0,2,0,0,14) R2E-M1-N13-J24
Task 2319 of 4096 (2,0,2,0,0,15) R2E-M1-N13-J24
Task 2320 of 4096 (2,0,2,0,1,0) R2E-M1-N13-J31
Task 2321 of 4096 (2,0,2,0,1,1) R2E-M1-N13-J31
Task 2322 of 4096 (2,0,2,0,1,2) R2E-M1-N13-J31
Task 2323 of 4096 (2,0,2,0,1,3) R2E-M1-N13-J31
Task 2324 of 4096 (2,0,2,0,1,4) R2E-M1-N13-J31
Task 2325 of 4096 (2,0,2,0,1,5) R2E-M1-N13-J31
Task 2326 of 4096 (2,0,2,0,1,6) R2E-M1-N13-J31
Task 2327 of 4096 (2,0,2,0,1,7) R2E-M1-N13-J31
Task 2328 of 4096 (2,0,2,0,1,8) R2E-M1-N13-J31
Task 2329 of 4096 (2,0,2,0,1,9) R2E-M1-N13-J31
Task 2330 of 4096 (2,0,2,0,1,10) R2E-M1-N13-J31
Task 2331 of 4096 (2,0,2,0,1,11) R2E-M1-N13-J31
Task 2332 of 4096 (2,0,2,0,1,12) R2E-M1-N13-J31
Task 2333 of 4096 (2,0,2,0,1,13) R2E-M1-N13-J31
Task 2334 of 4096 (2,0,2,0,1,14) R2E-M1-N13-J31
Task 2335 of 4096 (2,0,2,0,1,15) R2E-M1-N13-J31
Task 2336 of 4096 (2,0,2,1,0,0) R2E-M1-N13-J20
Task 2337 of 4096 (2,0,2,1,0,1) R2E-M1-N13-J20
Task 2338 of 4096 (2,0,2,1,0,2) R2E-M1-N13-J20
Task 2339 of 4096 (2,0,2,1,0,3) R2E-M1-N13-J20
Task 2340 of 4096 (2,0,2,1,0,4) R2E-M1-N13-J20
Task 2341 of 4096 (2,0,2,1,0,5) R2E-M1-N13-J20
Task 2342 of 4096 (2,0,2,1,0,6) R2E-M1-N13-J20
Task 2343 of 4096 (2,0,2,1,0,7) R2E-M1-N13-J20
Task 2344 of 4096 (2,0,2,1,0,8) R2E-M1-N13-J20
Task 2345 of 4096 (2,0,2,1,0,9) R2E-M1-N13-J20
Task 2346 of 4096 (2,0,2,1,0,10) R2E-M1-N13-J20
Task 2347 of 4096 (2,0,2,1,0,11) R2E-M1-N13-J20
Task 2348 of 4096 (2,0,2,1,0,12) R2E-M1-N13-J20
Task 2349 of 4096 (2,0,2,1,0,13) R2E-M1-N13-J20
Task 2350 of 4096 (2,0,2,1,0,14) R2E-M1-N13-J20
Task 2351 of 4096 (2,0,2,1,0,15) R2E-M1-N13-J20
Task 2352 of 4096 (2,0,2,1,1,0) R2E-M1-N13-J19
Task 2353 of 4096 (2,0,2,1,1,1) R2E-M1-N13-J19
Task 2354 of 4096 (2,0,2,1,1,2) R2E-M1-N13-J19
Task 2355 of 4096 (2,0,2,1,1,3) R2E-M1-N13-J19
Task 2356 of 4096 (2,0,2,1,1,4) R2E-M1-N13-J19
Task 2357 of 4096 (2,0,2,1,1,5) R2E-M1-N13-J19
Task 2358 of 4096 (2,0,2,1,1,6) R2E-M1-N13-J19
Task 2359 of 4096 (2,0,2,1,1,7) R2E-M1-N13-J19
Task 2360 of 4096 (2,0,2,1,1,8) R2E-M1-N13-J19
Task 2361 of 4096 (2,0,2,1,1,9) R2E-M1-N13-J19
Task 2362 of 4096 (2,0,2,1,1,10) R2E-M1-N13-J19
Task 2363 of 4096 (2,0,2,1,1,11) R2E-M1-N13-J19
Task 2364 of 4096 (2,0,2,1,1,12) R2E-M1-N13-J19
Task 2365 of 4096 (2,0,2,1,1,13) R2E-M1-N13-J19
Task 2366 of 4096 (2,0,2,1,1,14) R2E-M1-N13-J19
Task 2367 of 4096 (2,0,2,1,1,15) R2E-M1-N13-J19
Task 2368 of 4096 (2,0,2,2,0,0) R2E-M1-N15-J20
Task 2369 of 4096 (2,0,2,2,0,1) R2E-M1-N15-J20
Task 2370 of 4096 (2,0,2,2,0,2) R2E-M1-N15-J20
Task 2371 of 4096 (2,0,2,2,0,3) R2E-M1-N15-J20
Task 2372 of 4096 (2,0,2,2,0,4) R2E-M1-N15-J20
Task 2373 of 4096 (2,0,2,2,0,5) R2E-M1-N15-J20
Task 2374 of 4096 (2,0,2,2,0,6) R2E-M1-N15-J20
Task 2375 of 4096 (2,0,2,2,0,7) R2E-M1-N15-J20
Task 2376 of 4096 (2,0,2,2,0,8) R2E-M1-N15-J20
Task 2377 of 4096 (2,0,2,2,0,9) R2E-M1-N15-J20
Task 2378 of 4096 (2,0,2,2,0,10) R2E-M1-N15-J20
Task 2379 of 4096 (2,0,2,2,0,11) R2E-M1-N15-J20
Task 2380 of 4096 (2,0,2,2,0,12) R2E-M1-N15-J20
Task 2381 of 4096 (2,0,2,2,0,13) R2E-M1-N15-J20
Task 2382 of 4096 (2,0,2,2,0,14) R2E-M1-N15-J20
Task 2383 of 4096 (2,0,2,2,0,15) R2E-M1-N15-J20
Task 2384 of 4096 (2,0,2,2,1,0) R2E-M1-N15-J19
Task 2385 of 4096 (2,0,2,2,1,1) R2E-M1-N15-J19
Task 2386 of 4096 (2,0,2,2,1,2) R2E-M1-N15-J19
Task 2387 of 4096 (2,0,2,2,1,3) R2E-M1-N15-J19
Task 2388 of 4096 (2,0,2,2,1,4) R2E-M1-N15-J19
Task 2389 of 4096 (2,0,2,2,1,5) R2E-M1-N15-J19
Task 2390 of 4096 (2,0,2,2,1,6) R2E-M1-N15-J19
Task 2391 of 4096 (2,0,2,2,1,7) R2E-M1-N15-J19
Task 2392 of 4096 (2,0,2,2,1,8) R2E-M1-N15-J19
Task 2393 of 4096 (2,0,2,2,1,9) R2E-M1-N15-J19
Task 2394 of 4096 (2,0,2,2,1,10) R2E-M1-N15-J19
Task 2395 of 4096 (2,0,2,2,1,11) R2E-M1-N15-J19
Task 2396 of 4096 (2,0,2,2,1,12) R2E-M1-N15-J19
Task 2397 of 4096 (2,0,2,2,1,13) R2E-M1-N15-J19
Task 2398 of 4096 (2,0,2,2,1,14) R2E-M1-N15-J19
Task 2399 of 4096 (2,0,2,2,1,15) R2E-M1-N15-J19
Task 2400 of 4096 (2,0,2,3,0,0) R2E-M1-N15-J24
Task 2401 of 4096 (2,0,2,3,0,1) R2E-M1-N15-J24
Task 2402 of 4096 (2,0,2,3,0,2) R2E-M1-N15-J24
Task 2403 of 4096 (2,0,2,3,0,3) R2E-M1-N15-J24
Task 2404 of 4096 (2,0,2,3,0,4) R2E-M1-N15-J24
Task 2405 of 4096 (2,0,2,3,0,5) R2E-M1-N15-J24
Task 2406 of 4096 (2,0,2,3,0,6) R2E-M1-N15-J24
Task 2407 of 4096 (2,0,2,3,0,7) R2E-M1-N15-J24
Task 2408 of 4096 (2,0,2,3,0,8) R2E-M1-N15-J24
Task 2409 of 4096 (2,0,2,3,0,9) R2E-M1-N15-J24
Task 2410 of 4096 (2,0,2,3,0,10) R2E-M1-N15-J24
Task 2411 of 4096 (2,0,2,3,0,11) R2E-M1-N15-J24
Task 2412 of 4096 (2,0,2,3,0,12) R2E-M1-N15-J24
Task 2413 of 4096 (2,0,2,3,0,13) R2E-M1-N15-J24
Task 2414 of 4096 (2,0,2,3,0,14) R2E-M1-N15-J24
Task 2415 of 4096 (2,0,2,3,0,15) R2E-M1-N15-J24
Task 2416 of 4096 (2,0,2,3,1,0) R2E-M1-N15-J31
Task 2417 of 4096 (2,0,2,3,1,1) R2E-M1-N15-J31
Task 2418 of 4096 (2,0,2,3,1,2) R2E-M1-N15-J31
Task 2419 of 4096 (2,0,2,3,1,3) R2E-M1-N15-J31
Task 2420 of 4096 (2,0,2,3,1,4) R2E-M1-N15-J31
Task 2421 of 4096 (2,0,2,3,1,5) R2E-M1-N15-J31
Task 2422 of 4096 (2,0,2,3,1,6) R2E-M1-N15-J31
Task 2423 of 4096 (2,0,2,3,1,7) R2E-M1-N15-J31
Task 2424 of 4096 (2,0,2,3,1,8) R2E-M1-N15-J31
Task 2425 of 4096 (2,0,2,3,1,9) R2E-M1-N15-J31
Task 2426 of 4096 (2,0,2,3,1,10) R2E-M1-N15-J31
Task 2427 of 4096 (2,0,2,3,1,11) R2E-M1-N15-J31
Task 2428 of 4096 (2,0,2,3,1,12) R2E-M1-N15-J31
Task 2429 of 4096 (2,0,2,3,1,13) R2E-M1-N15-J31
Task 2430 of 4096 (2,0,2,3,1,14) R2E-M1-N15-J31
Task 2431 of 4096 (2,0,2,3,1,15) R2E-M1-N15-J31
Task 2432 of 4096 (2,0,3,0,0,0) R2E-M1-N13-J25
Task 2433 of 4096 (2,0,3,0,0,1) R2E-M1-N13-J25
Task 2434 of 4096 (2,0,3,0,0,2) R2E-M1-N13-J25
Task 2435 of 4096 (2,0,3,0,0,3) R2E-M1-N13-J25
Task 2436 of 4096 (2,0,3,0,0,4) R2E-M1-N13-J25
Task 2437 of 4096 (2,0,3,0,0,5) R2E-M1-N13-J25
Task 2438 of 4096 (2,0,3,0,0,6) R2E-M1-N13-J25
Task 2439 of 4096 (2,0,3,0,0,7) R2E-M1-N13-J25
Task 2440 of 4096 (2,0,3,0,0,8) R2E-M1-N13-J25
Task 2441 of 4096 (2,0,3,0,0,9) R2E-M1-N13-J25
Task 2442 of 4096 (2,0,3,0,0,10) R2E-M1-N13-J25
Task 2443 of 4096 (2,0,3,0,0,11) R2E-M1-N13-J25
Task 2444 of 4096 (2,0,3,0,0,12) R2E-M1-N13-J25
Task 2445 of 4096 (2,0,3,0,0,13) R2E-M1-N13-J25
Task 2446 of 4096 (2,0,3,0,0,14) R2E-M1-N13-J25
Task 2447 of 4096 (2,0,3,0,0,15) R2E-M1-N13-J25
Task 2448 of 4096 (2,0,3,0,1,0) R2E-M1-N13-J30
Task 2449 of 4096 (2,0,3,0,1,1) R2E-M1-N13-J30
Task 2450 of 4096 (2,0,3,0,1,2) R2E-M1-N13-J30
Task 2451 of 4096 (2,0,3,0,1,3) R2E-M1-N13-J30
Task 2452 of 4096 (2,0,3,0,1,4) R2E-M1-N13-J30
Task 2453 of 4096 (2,0,3,0,1,5) R2E-M1-N13-J30
Task 2454 of 4096 (2,0,3,0,1,6) R2E-M1-N13-J30
Task 2455 of 4096 (2,0,3,0,1,7) R2E-M1-N13-J30
Task 2456 of 4096 (2,0,3,0,1,8) R2E-M1-N13-J30
Task 2457 of 4096 (2,0,3,0,1,9) R2E-M1-N13-J30
Task 2458 of 4096 (2,0,3,0,1,10) R2E-M1-N13-J30
Task 2459 of 4096 (2,0,3,0,1,11) R2E-M1-N13-J30
Task 2460 of 4096 (2,0,3,0,1,12) R2E-M1-N13-J30
Task 2461 of 4096 (2,0,3,0,1,13) R2E-M1-N13-J30
Task 2462 of 4096 (2,0,3,0,1,14) R2E-M1-N13-J30
Task 2463 of 4096 (2,0,3,0,1,15) R2E-M1-N13-J30
Task 2464 of 4096 (2,0,3,1,0,0) R2E-M1-N13-J21
Task 2465 of 4096 (2,0,3,1,0,1) R2E-M1-N13-J21
Task 2466 of 4096 (2,0,3,1,0,2) R2E-M1-N13-J21
Task 2467 of 4096 (2,0,3,1,0,3) R2E-M1-N13-J21
Task 2468 of 4096 (2,0,3,1,0,4) R2E-M1-N13-J21
Task 2469 of 4096 (2,0,3,1,0,5) R2E-M1-N13-J21
Task 2470 of 4096 (2,0,3,1,0,6) R2E-M1-N13-J21
Task 2471 of 4096 (2,0,3,1,0,7) R2E-M1-N13-J21
Task 2472 of 4096 (2,0,3,1,0,8) R2E-M1-N13-J21
Task 2473 of 4096 (2,0,3,1,0,9) R2E-M1-N13-J21
Task 2474 of 4096 (2,0,3,1,0,10) R2E-M1-N13-J21
Task 2475 of 4096 (2,0,3,1,0,11) R2E-M1-N13-J21
Task 2476 of 4096 (2,0,3,1,0,12) R2E-M1-N13-J21
Task 2477 of 4096 (2,0,3,1,0,13) R2E-M1-N13-J21
Task 2478 of 4096 (2,0,3,1,0,14) R2E-M1-N13-J21
Task 2479 of 4096 (2,0,3,1,0,15) R2E-M1-N13-J21
Task 2480 of 4096 (2,0,3,1,1,0) R2E-M1-N13-J18
Task 2481 of 4096 (2,0,3,1,1,1) R2E-M1-N13-J18
Task 2482 of 4096 (2,0,3,1,1,2) R2E-M1-N13-J18
Task 2483 of 4096 (2,0,3,1,1,3) R2E-M1-N13-J18
Task 2484 of 4096 (2,0,3,1,1,4) R2E-M1-N13-J18
Task 2485 of 4096 (2,0,3,1,1,5) R2E-M1-N13-J18
Task 2486 of 4096 (2,0,3,1,1,6) R2E-M1-N13-J18
Task 2487 of 4096 (2,0,3,1,1,7) R2E-M1-N13-J18
Task 2488 of 4096 (2,0,3,1,1,8) R2E-M1-N13-J18
Task 2489 of 4096 (2,0,3,1,1,9) R2E-M1-N13-J18
Task 2490 of 4096 (2,0,3,1,1,10) R2E-M1-N13-J18
Task 2491 of 4096 (2,0,3,1,1,11) R2E-M1-N13-J18
Task 2492 of 4096 (2,0,3,1,1,12) R2E-M1-N13-J18
Task 2493 of 4096 (2,0,3,1,1,13) R2E-M1-N13-J18
Task 2494 of 4096 (2,0,3,1,1,14) R2E-M1-N13-J18
Task 2495 of 4096 (2,0,3,1,1,15) R2E-M1-N13-J18
Task 2496 of 4096 (2,0,3,2,0,0) R2E-M1-N15-J21
Task 2497 of 4096 (2,0,3,2,0,1) R2E-M1-N15-J21
Task 2498 of 4096 (2,0,3,2,0,2) R2E-M1-N15-J21
Task 2499 of 4096 (2,0,3,2,0,3) R2E-M1-N15-J21
Task 2500 of 4096 (2,0,3,2,0,4) R2E-M1-N15-J21
Task 2501 of 4096 (2,0,3,2,0,5) R2E-M1-N15-J21
Task 2502 of 4096 (2,0,3,2,0,6) R2E-M1-N15-J21
Task 2503 of 4096 (2,0,3,2,0,7) R2E-M1-N15-J21
Task 2504 of 4096 (2,0,3,2,0,8) R2E-M1-N15-J21
Task 2505 of 4096 (2,0,3,2,0,9) R2E-M1-N15-J21
Task 2506 of 4096 (2,0,3,2,0,10) R2E-M1-N15-J21
Task 2507 of 4096 (2,0,3,2,0,11) R2E-M1-N15-J21
Task 2508 of 4096 (2,0,3,2,0,12) R2E-M1-N15-J21
Task 2509 of 4096 (2,0,3,2,0,13) R2E-M1-N15-J21
Task 2510 of 4096 (2,0,3,2,0,14) R2E-M1-N15-J21
Task 2511 of 4096 (2,0,3,2,0,15) R2E-M1-N15-J21
Task 2512 of 4096 (2,0,3,2,1,0) R2E-M1-N15-J18
Task 2513 of 4096 (2,0,3,2,1,1) R2E-M1-N15-J18
Task 2514 of 4096 (2,0,3,2,1,2) R2E-M1-N15-J18
Task 2515 of 4096 (2,0,3,2,1,3) R2E-M1-N15-J18
Task 2516 of 4096 (2,0,3,2,1,4) R2E-M1-N15-J18
Task 2517 of 4096 (2,0,3,2,1,5) R2E-M1-N15-J18
Task 2518 of 4096 (2,0,3,2,1,6) R2E-M1-N15-J18
Task 2519 of 4096 (2,0,3,2,1,7) R2E-M1-N15-J18
Task 2520 of 4096 (2,0,3,2,1,8) R2E-M1-N15-J18
Task 2521 of 4096 (2,0,3,2,1,9) R2E-M1-N15-J18
Task 2522 of 4096 (2,0,3,2,1,10) R2E-M1-N15-J18
Task 2523 of 4096 (2,0,3,2,1,11) R2E-M1-N15-J18
Task 2524 of 4096 (2,0,3,2,1,12) R2E-M1-N15-J18
Task 2525 of 4096 (2,0,3,2,1,13) R2E-M1-N15-J18
Task 2526 of 4096 (2,0,3,2,1,14) R2E-M1-N15-J18
Task 2527 of 4096 (2,0,3,2,1,15) R2E-M1-N15-J18
Task 2528 of 4096 (2,0,3,3,0,0) R2E-M1-N15-J25
Task 2529 of 4096 (2,0,3,3,0,1) R2E-M1-N15-J25
Task 2530 of 4096 (2,0,3,3,0,2) R2E-M1-N15-J25
Task 2531 of 4096 (2,0,3,3,0,3) R2E-M1-N15-J25
Task 2532 of 4096 (2,0,3,3,0,4) R2E-M1-N15-J25
Task 2533 of 4096 (2,0,3,3,0,5) R2E-M1-N15-J25
Task 2534 of 4096 (2,0,3,3,0,6) R2E-M1-N15-J25
Task 2535 of 4096 (2,0,3,3,0,7) R2E-M1-N15-J25
Task 2536 of 4096 (2,0,3,3,0,8) R2E-M1-N15-J25
Task 2537 of 4096 (2,0,3,3,0,9) R2E-M1-N15-J25
Task 2538 of 4096 (2,0,3,3,0,10) R2E-M1-N15-J25
Task 2539 of 4096 (2,0,3,3,0,11) R2E-M1-N15-J25
Task 2540 of 4096 (2,0,3,3,0,12) R2E-M1-N15-J25
Task 2541 of 4096 (2,0,3,3,0,13) R2E-M1-N15-J25
Task 2542 of 4096 (2,0,3,3,0,14) R2E-M1-N15-J25
Task 2543 of 4096 (2,0,3,3,0,15) R2E-M1-N15-J25
Task 2544 of 4096 (2,0,3,3,1,0) R2E-M1-N15-J30
Task 2545 of 4096 (2,0,3,3,1,1) R2E-M1-N15-J30
Task 2546 of 4096 (2,0,3,3,1,2) R2E-M1-N15-J30
Task 2547 of 4096 (2,0,3,3,1,3) R2E-M1-N15-J30
Task 2548 of 4096 (2,0,3,3,1,4) R2E-M1-N15-J30
Task 2549 of 4096 (2,0,3,3,1,5) R2E-M1-N15-J30
Task 2550 of 4096 (2,0,3,3,1,6) R2E-M1-N15-J30
Task 2551 of 4096 (2,0,3,3,1,7) R2E-M1-N15-J30
Task 2552 of 4096 (2,0,3,3,1,8) R2E-M1-N15-J30
Task 2553 of 4096 (2,0,3,3,1,9) R2E-M1-N15-J30
Task 2554 of 4096 (2,0,3,3,1,10) R2E-M1-N15-J30
Task 2555 of 4096 (2,0,3,3,1,11) R2E-M1-N15-J30
Task 2556 of 4096 (2,0,3,3,1,12) R2E-M1-N15-J30
Task 2557 of 4096 (2,0,3,3,1,13) R2E-M1-N15-J30
Task 2558 of 4096 (2,0,3,3,1,14) R2E-M1-N15-J30
Task 2559 of 4096 (2,0,3,3,1,15) R2E-M1-N15-J30
Task 2560 of 4096 (2,1,0,0,0,0) R2E-M1-N12-J26
Task 2561 of 4096 (2,1,0,0,0,1) R2E-M1-N12-J26
Task 2562 of 4096 (2,1,0,0,0,2) R2E-M1-N12-J26
Task 2563 of 4096 (2,1,0,0,0,3) R2E-M1-N12-J26
Task 2564 of 4096 (2,1,0,0,0,4) R2E-M1-N12-J26
Task 2565 of 4096 (2,1,0,0,0,5) R2E-M1-N12-J26
Task 2566 of 4096 (2,1,0,0,0,6) R2E-M1-N12-J26
Task 2567 of 4096 (2,1,0,0,0,7) R2E-M1-N12-J26
Task 2568 of 4096 (2,1,0,0,0,8) R2E-M1-N12-J26
Task 2569 of 4096 (2,1,0,0,0,9) R2E-M1-N12-J26
Task 2570 of 4096 (2,1,0,0,0,10) R2E-M1-N12-J26
Task 2571 of 4096 (2,1,0,0,0,11) R2E-M1-N12-J26
Task 2572 of 4096 (2,1,0,0,0,12) R2E-M1-N12-J26
Task 2573 of 4096 (2,1,0,0,0,13) R2E-M1-N12-J26
Task 2574 of 4096 (2,1,0,0,0,14) R2E-M1-N12-J26
Task 2575 of 4096 (2,1,0,0,0,15) R2E-M1-N12-J26
Task 2576 of 4096 (2,1,0,0,1,0) R2E-M1-N12-J29
Task 2577 of 4096 (2,1,0,0,1,1) R2E-M1-N12-J29
Task 2578 of 4096 (2,1,0,0,1,2) R2E-M1-N12-J29
Task 2579 of 4096 (2,1,0,0,1,3) R2E-M1-N12-J29
Task 2580 of 4096 (2,1,0,0,1,4) R2E-M1-N12-J29
Task 2581 of 4096 (2,1,0,0,1,5) R2E-M1-N12-J29
Task 2582 of 4096 (2,1,0,0,1,6) R2E-M1-N12-J29
Task 2583 of 4096 (2,1,0,0,1,7) R2E-M1-N12-J29
Task 2584 of 4096 (2,1,0,0,1,8) R2E-M1-N12-J29
Task 2585 of 4096 (2,1,0,0,1,9) R2E-M1-N12-J29
Task 2586 of 4096 (2,1,0,0,1,10) R2E-M1-N12-J29
Task 2587 of 4096 (2,1,0,0,1,11) R2E-M1-N12-J29
Task 2588 of 4096 (2,1,0,0,1,12) R2E-M1-N12-J29
Task 2589 of 4096 (2,1,0,0,1,13) R2E-M1-N12-J29
Task 2590 of 4096 (2,1,0,0,1,14) R2E-M1-N12-J29
Task 2591 of 4096 (2,1,0,0,1,15) R2E-M1-N12-J29
Task 2592 of 4096 (2,1,0,1,0,0) R2E-M1-N12-J22
Task 2593 of 4096 (2,1,0,1,0,1) R2E-M1-N12-J22
Task 2594 of 4096 (2,1,0,1,0,2) R2E-M1-N12-J22
Task 2595 of 4096 (2,1,0,1,0,3) R2E-M1-N12-J22
Task 2596 of 4096 (2,1,0,1,0,4) R2E-M1-N12-J22
Task 2597 of 4096 (2,1,0,1,0,5) R2E-M1-N12-J22
Task 2598 of 4096 (2,1,0,1,0,6) R2E-M1-N12-J22
Task 2599 of 4096 (2,1,0,1,0,7) R2E-M1-N12-J22
Task 2600 of 4096 (2,1,0,1,0,8) R2E-M1-N12-J22
Task 2601 of 4096 (2,1,0,1,0,9) R2E-M1-N12-J22
Task 2602 of 4096 (2,1,0,1,0,10) R2E-M1-N12-J22
Task 2603 of 4096 (2,1,0,1,0,11) R2E-M1-N12-J22
Task 2604 of 4096 (2,1,0,1,0,12) R2E-M1-N12-J22
Task 2605 of 4096 (2,1,0,1,0,13) R2E-M1-N12-J22
Task 2606 of 4096 (2,1,0,1,0,14) R2E-M1-N12-J22
Task 2607 of 4096 (2,1,0,1,0,15) R2E-M1-N12-J22
Task 2608 of 4096 (2,1,0,1,1,0) R2E-M1-N12-J17
Task 2609 of 4096 (2,1,0,1,1,1) R2E-M1-N12-J17
Task 2610 of 4096 (2,1,0,1,1,2) R2E-M1-N12-J17
Task 2611 of 4096 (2,1,0,1,1,3) R2E-M1-N12-J17
Task 2612 of 4096 (2,1,0,1,1,4) R2E-M1-N12-J17
Task 2613 of 4096 (2,1,0,1,1,5) R2E-M1-N12-J17
Task 2614 of 4096 (2,1,0,1,1,6) R2E-M1-N12-J17
Task 2615 of 4096 (2,1,0,1,1,7) R2E-M1-N12-J17
Task 2616 of 4096 (2,1,0,1,1,8) R2E-M1-N12-J17
Task 2617 of 4096 (2,1,0,1,1,9) R2E-M1-N12-J17
Task 2618 of 4096 (2,1,0,1,1,10) R2E-M1-N12-J17
Task 2619 of 4096 (2,1,0,1,1,11) R2E-M1-N12-J17
Task 2620 of 4096 (2,1,0,1,1,12) R2E-M1-N12-J17
Task 2621 of 4096 (2,1,0,1,1,13) R2E-M1-N12-J17
Task 2622 of 4096 (2,1,0,1,1,14) R2E-M1-N12-J17
Task 2623 of 4096 (2,1,0,1,1,15) R2E-M1-N12-J17
Task 2624 of 4096 (2,1,0,2,0,0) R2E-M1-N14-J22
Task 2625 of 4096 (2,1,0,2,0,1) R2E-M1-N14-J22
Task 2626 of 4096 (2,1,0,2,0,2) R2E-M1-N14-J22
Task 2627 of 4096 (2,1,0,2,0,3) R2E-M1-N14-J22
Task 2628 of 4096 (2,1,0,2,0,4) R2E-M1-N14-J22
Task 2629 of 4096 (2,1,0,2,0,5) R2E-M1-N14-J22
Task 2630 of 4096 (2,1,0,2,0,6) R2E-M1-N14-J22
Task 2631 of 4096 (2,1,0,2,0,7) R2E-M1-N14-J22
Task 2632 of 4096 (2,1,0,2,0,8) R2E-M1-N14-J22
Task 2633 of 4096 (2,1,0,2,0,9) R2E-M1-N14-J22
Task 2634 of 4096 (2,1,0,2,0,10) R2E-M1-N14-J22
Task 2635 of 4096 (2,1,0,2,0,11) R2E-M1-N14-J22
Task 2636 of 4096 (2,1,0,2,0,12) R2E-M1-N14-J22
Task 2637 of 4096 (2,1,0,2,0,13) R2E-M1-N14-J22
Task 2638 of 4096 (2,1,0,2,0,14) R2E-M1-N14-J22
Task 2639 of 4096 (2,1,0,2,0,15) R2E-M1-N14-J22
Task 2640 of 4096 (2,1,0,2,1,0) R2E-M1-N14-J17
Task 2641 of 4096 (2,1,0,2,1,1) R2E-M1-N14-J17
Task 2642 of 4096 (2,1,0,2,1,2) R2E-M1-N14-J17
Task 2643 of 4096 (2,1,0,2,1,3) R2E-M1-N14-J17
Task 2644 of 4096 (2,1,0,2,1,4) R2E-M1-N14-J17
Task 2645 of 4096 (2,1,0,2,1,5) R2E-M1-N14-J17
Task 2646 of 4096 (2,1,0,2,1,6) R2E-M1-N14-J17
Task 2647 of 4096 (2,1,0,2,1,7) R2E-M1-N14-J17
Task 2648 of 4096 (2,1,0,2,1,8) R2E-M1-N14-J17
Task 2649 of 4096 (2,1,0,2,1,9) R2E-M1-N14-J17
Task 2650 of 4096 (2,1,0,2,1,10) R2E-M1-N14-J17
Task 2651 of 4096 (2,1,0,2,1,11) R2E-M1-N14-J17
Task 2652 of 4096 (2,1,0,2,1,12) R2E-M1-N14-J17
Task 2653 of 4096 (2,1,0,2,1,13) R2E-M1-N14-J17
Task 2654 of 4096 (2,1,0,2,1,14) R2E-M1-N14-J17
Task 2655 of 4096 (2,1,0,2,1,15) R2E-M1-N14-J17
Task 2656 of 4096 (2,1,0,3,0,0) R2E-M1-N14-J26
Task 2657 of 4096 (2,1,0,3,0,1) R2E-M1-N14-J26
Task 2658 of 4096 (2,1,0,3,0,2) R2E-M1-N14-J26
Task 2659 of 4096 (2,1,0,3,0,3) R2E-M1-N14-J26
Task 2660 of 4096 (2,1,0,3,0,4) R2E-M1-N14-J26
Task 2661 of 4096 (2,1,0,3,0,5) R2E-M1-N14-J26
Task 2662 of 4096 (2,1,0,3,0,6) R2E-M1-N14-J26
Task 2663 of 4096 (2,1,0,3,0,7) R2E-M1-N14-J26
Task 2664 of 4096 (2,1,0,3,0,8) R2E-M1-N14-J26
Task 2665 of 4096 (2,1,0,3,0,9) R2E-M1-N14-J26
Task 2666 of 4096 (2,1,0,3,0,10) R2E-M1-N14-J26
Task 2667 of 4096 (2,1,0,3,0,11) R2E-M1-N14-J26
Task 2668 of 4096 (2,1,0,3,0,12) R2E-M1-N14-J26
Task 2669 of 4096 (2,1,0,3,0,13) R2E-M1-N14-J26
Task 2670 of 4096 (2,1,0,3,0,14) R2E-M1-N14-J26
Task 2671 of 4096 (2,1,0,3,0,15) R2E-M1-N14-J26
Task 2672 of 4096 (2,1,0,3,1,0) R2E-M1-N14-J29
Task 2673 of 4096 (2,1,0,3,1,1) R2E-M1-N14-J29
Task 2674 of 4096 (2,1,0,3,1,2) R2E-M1-N14-J29
Task 2675 of 4096 (2,1,0,3,1,3) R2E-M1-N14-J29
Task 2676 of 4096 (2,1,0,3,1,4) R2E-M1-N14-J29
Task 2677 of 4096 (2,1,0,3,1,5) R2E-M1-N14-J29
Task 2678 of 4096 (2,1,0,3,1,6) R2E-M1-N14-J29
Task 2679 of 4096 (2,1,0,3,1,7) R2E-M1-N14-J29
Task 2680 of 4096 (2,1,0,3,1,8) R2E-M1-N14-J29
Task 2681 of 4096 (2,1,0,3,1,9) R2E-M1-N14-J29
Task 2682 of 4096 (2,1,0,3,1,10) R2E-M1-N14-J29
Task 2683 of 4096 (2,1,0,3,1,11) R2E-M1-N14-J29
Task 2684 of 4096 (2,1,0,3,1,12) R2E-M1-N14-J29
Task 2685 of 4096 (2,1,0,3,1,13) R2E-M1-N14-J29
Task 2686 of 4096 (2,1,0,3,1,14) R2E-M1-N14-J29
Task 2687 of 4096 (2,1,0,3,1,15) R2E-M1-N14-J29
Task 2688 of 4096 (2,1,1,0,0,0) R2E-M1-N12-J27
Task 2689 of 4096 (2,1,1,0,0,1) R2E-M1-N12-J27
Task 2690 of 4096 (2,1,1,0,0,2) R2E-M1-N12-J27
Task 2691 of 4096 (2,1,1,0,0,3) R2E-M1-N12-J27
Task 2692 of 4096 (2,1,1,0,0,4) R2E-M1-N12-J27
Task 2693 of 4096 (2,1,1,0,0,5) R2E-M1-N12-J27
Task 2694 of 4096 (2,1,1,0,0,6) R2E-M1-N12-J27
Task 2695 of 4096 (2,1,1,0,0,7) R2E-M1-N12-J27
Task 2696 of 4096 (2,1,1,0,0,8) R2E-M1-N12-J27
Task 2697 of 4096 (2,1,1,0,0,9) R2E-M1-N12-J27
Task 2698 of 4096 (2,1,1,0,0,10) R2E-M1-N12-J27
Task 2699 of 4096 (2,1,1,0,0,11) R2E-M1-N12-J27
Task 2700 of 4096 (2,1,1,0,0,12) R2E-M1-N12-J27
Task 2701 of 4096 (2,1,1,0,0,13) R2E-M1-N12-J27
Task 2702 of 4096 (2,1,1,0,0,14) R2E-M1-N12-J27
Task 2703 of 4096 (2,1,1,0,0,15) R2E-M1-N12-J27
Task 2704 of 4096 (2,1,1,0,1,0) R2E-M1-N12-J28
Task 2705 of 4096 (2,1,1,0,1,1) R2E-M1-N12-J28
Task 2706 of 4096 (2,1,1,0,1,2) R2E-M1-N12-J28
Task 2707 of 4096 (2,1,1,0,1,3) R2E-M1-N12-J28
Task 2708 of 4096 (2,1,1,0,1,4) R2E-M1-N12-J28
Task 2709 of 4096 (2,1,1,0,1,5) R2E-M1-N12-J28
Task 2710 of 4096 (2,1,1,0,1,6) R2E-M1-N12-J28
Task 2711 of 4096 (2,1,1,0,1,7) R2E-M1-N12-J28
Task 2712 of 4096 (2,1,1,0,1,8) R2E-M1-N12-J28
Task 2713 of 4096 (2,1,1,0,1,9) R2E-M1-N12-J28
Task 2714 of 4096 (2,1,1,0,1,10) R2E-M1-N12-J28
Task 2715 of 4096 (2,1,1,0,1,11) R2E-M1-N12-J28
Task 2716 of 4096 (2,1,1,0,1,12) R2E-M1-N12-J28
Task 2717 of 4096 (2,1,1,0,1,13) R2E-M1-N12-J28
Task 2718 of 4096 (2,1,1,0,1,14) R2E-M1-N12-J28
Task 2719 of 4096 (2,1,1,0,1,15) R2E-M1-N12-J28
Task 2720 of 4096 (2,1,1,1,0,0) R2E-M1-N12-J23
Task 2721 of 4096 (2,1,1,1,0,1) R2E-M1-N12-J23
Task 2722 of 4096 (2,1,1,1,0,2) R2E-M1-N12-J23
Task 2723 of 4096 (2,1,1,1,0,3) R2E-M1-N12-J23
Task 2724 of 4096 (2,1,1,1,0,4) R2E-M1-N12-J23
Task 2725 of 4096 (2,1,1,1,0,5) R2E-M1-N12-J23
Task 2726 of 4096 (2,1,1,1,0,6) R2E-M1-N12-J23
Task 2727 of 4096 (2,1,1,1,0,7) R2E-M1-N12-J23
Task 2728 of 4096 (2,1,1,1,0,8) R2E-M1-N12-J23
Task 2729 of 4096 (2,1,1,1,0,9) R2E-M1-N12-J23
Task 2730 of 4096 (2,1,1,1,0,10) R2E-M1-N12-J23
Task 2731 of 4096 (2,1,1,1,0,11) R2E-M1-N12-J23
Task 2732 of 4096 (2,1,1,1,0,12) R2E-M1-N12-J23
Task 2733 of 4096 (2,1,1,1,0,13) R2E-M1-N12-J23
Task 2734 of 4096 (2,1,1,1,0,14) R2E-M1-N12-J23
Task 2735 of 4096 (2,1,1,1,0,15) R2E-M1-N12-J23
Task 2736 of 4096 (2,1,1,1,1,0) R2E-M1-N12-J16
Task 2737 of 4096 (2,1,1,1,1,1) R2E-M1-N12-J16
Task 2738 of 4096 (2,1,1,1,1,2) R2E-M1-N12-J16
Task 2739 of 4096 (2,1,1,1,1,3) R2E-M1-N12-J16
Task 2740 of 4096 (2,1,1,1,1,4) R2E-M1-N12-J16
Task 2741 of 4096 (2,1,1,1,1,5) R2E-M1-N12-J16
Task 2742 of 4096 (2,1,1,1,1,6) R2E-M1-N12-J16
Task 2743 of 4096 (2,1,1,1,1,7) R2E-M1-N12-J16
Task 2744 of 4096 (2,1,1,1,1,8) R2E-M1-N12-J16
Task 2745 of 4096 (2,1,1,1,1,9) R2E-M1-N12-J16
Task 2746 of 4096 (2,1,1,1,1,10) R2E-M1-N12-J16
Task 2747 of 4096 (2,1,1,1,1,11) R2E-M1-N12-J16
Task 2748 of 4096 (2,1,1,1,1,12) R2E-M1-N12-J16
Task 2749 of 4096 (2,1,1,1,1,13) R2E-M1-N12-J16
Task 2750 of 4096 (2,1,1,1,1,14) R2E-M1-N12-J16
Task 2751 of 4096 (2,1,1,1,1,15) R2E-M1-N12-J16
Task 2752 of 4096 (2,1,1,2,0,0) R2E-M1-N14-J23
Task 2753 of 4096 (2,1,1,2,0,1) R2E-M1-N14-J23
Task 2754 of 4096 (2,1,1,2,0,2) R2E-M1-N14-J23
Task 2755 of 4096 (2,1,1,2,0,3) R2E-M1-N14-J23
Task 2756 of 4096 (2,1,1,2,0,4) R2E-M1-N14-J23
Task 2757 of 4096 (2,1,1,2,0,5) R2E-M1-N14-J23
Task 2758 of 4096 (2,1,1,2,0,6) R2E-M1-N14-J23
Task 2759 of 4096 (2,1,1,2,0,7) R2E-M1-N14-J23
Task 2760 of 4096 (2,1,1,2,0,8) R2E-M1-N14-J23
Task 2761 of 4096 (2,1,1,2,0,9) R2E-M1-N14-J23
Task 2762 of 4096 (2,1,1,2,0,10) R2E-M1-N14-J23
Task 2763 of 4096 (2,1,1,2,0,11) R2E-M1-N14-J23
Task 2764 of 4096 (2,1,1,2,0,12) R2E-M1-N14-J23
Task 2765 of 4096 (2,1,1,2,0,13) R2E-M1-N14-J23
Task 2766 of 4096 (2,1,1,2,0,14) R2E-M1-N14-J23
Task 2767 of 4096 (2,1,1,2,0,15) R2E-M1-N14-J23
Task 2768 of 4096 (2,1,1,2,1,0) R2E-M1-N14-J16
Task 2769 of 4096 (2,1,1,2,1,1) R2E-M1-N14-J16
Task 2770 of 4096 (2,1,1,2,1,2) R2E-M1-N14-J16
Task 2771 of 4096 (2,1,1,2,1,3) R2E-M1-N14-J16
Task 2772 of 4096 (2,1,1,2,1,4) R2E-M1-N14-J16
Task 2773 of 4096 (2,1,1,2,1,5) R2E-M1-N14-J16
Task 2774 of 4096 (2,1,1,2,1,6) R2E-M1-N14-J16
Task 2775 of 4096 (2,1,1,2,1,7) R2E-M1-N14-J16
Task 2776 of 4096 (2,1,1,2,1,8) R2E-M1-N14-J16
Task 2777 of 4096 (2,1,1,2,1,9) R2E-M1-N14-J16
Task 2778 of 4096 (2,1,1,2,1,10) R2E-M1-N14-J16
Task 2779 of 4096 (2,1,1,2,1,11) R2E-M1-N14-J16
Task 2780 of 4096 (2,1,1,2,1,12) R2E-M1-N14-J16
Task 2781 of 4096 (2,1,1,2,1,13) R2E-M1-N14-J16
Task 2782 of 4096 (2,1,1,2,1,14) R2E-M1-N14-J16
Task 2783 of 4096 (2,1,1,2,1,15) R2E-M1-N14-J16
Task 2784 of 4096 (2,1,1,3,0,0) R2E-M1-N14-J27
Task 2785 of 4096 (2,1,1,3,0,1) R2E-M1-N14-J27
Task 2786 of 4096 (2,1,1,3,0,2) R2E-M1-N14-J27
Task 2787 of 4096 (2,1,1,3,0,3) R2E-M1-N14-J27
Task 2788 of 4096 (2,1,1,3,0,4) R2E-M1-N14-J27
Task 2789 of 4096 (2,1,1,3,0,5) R2E-M1-N14-J27
Task 2790 of 4096 (2,1,1,3,0,6) R2E-M1-N14-J27
Task 2791 of 4096 (2,1,1,3,0,7) R2E-M1-N14-J27
Task 2792 of 4096 (2,1,1,3,0,8) R2E-M1-N14-J27
Task 2793 of 4096 (2,1,1,3,0,9) R2E-M1-N14-J27
Task 2794 of 4096 (2,1,1,3,0,10) R2E-M1-N14-J27
Task 2795 of 4096 (2,1,1,3,0,11) R2E-M1-N14-J27
Task 2796 of 4096 (2,1,1,3,0,12) R2E-M1-N14-J27
Task 2797 of 4096 (2,1,1,3,0,13) R2E-M1-N14-J27
Task 2798 of 4096 (2,1,1,3,0,14) R2E-M1-N14-J27
Task 2799 of 4096 (2,1,1,3,0,15) R2E-M1-N14-J27
Task 2800 of 4096 (2,1,1,3,1,0) R2E-M1-N14-J28
Task 2801 of 4096 (2,1,1,3,1,1) R2E-M1-N14-J28
Task 2802 of 4096 (2,1,1,3,1,2) R2E-M1-N14-J28
Task 2803 of 4096 (2,1,1,3,1,3) R2E-M1-N14-J28
Task 2804 of 4096 (2,1,1,3,1,4) R2E-M1-N14-J28
Task 2805 of 4096 (2,1,1,3,1,5) R2E-M1-N14-J28
Task 2806 of 4096 (2,1,1,3,1,6) R2E-M1-N14-J28
Task 2807 of 4096 (2,1,1,3,1,7) R2E-M1-N14-J28
Task 2808 of 4096 (2,1,1,3,1,8) R2E-M1-N14-J28
Task 2809 of 4096 (2,1,1,3,1,9) R2E-M1-N14-J28
Task 2810 of 4096 (2,1,1,3,1,10) R2E-M1-N14-J28
Task 2811 of 4096 (2,1,1,3,1,11) R2E-M1-N14-J28
Task 2812 of 4096 (2,1,1,3,1,12) R2E-M1-N14-J28
Task 2813 of 4096 (2,1,1,3,1,13) R2E-M1-N14-J28
Task 2814 of 4096 (2,1,1,3,1,14) R2E-M1-N14-J28
Task 2815 of 4096 (2,1,1,3,1,15) R2E-M1-N14-J28
Task 2816 of 4096 (2,1,2,0,0,0) R2E-M1-N13-J27
Task 2817 of 4096 (2,1,2,0,0,1) R2E-M1-N13-J27
Task 2818 of 4096 (2,1,2,0,0,2) R2E-M1-N13-J27
Task 2819 of 4096 (2,1,2,0,0,3) R2E-M1-N13-J27
Task 2820 of 4096 (2,1,2,0,0,4) R2E-M1-N13-J27
Task 2821 of 4096 (2,1,2,0,0,5) R2E-M1-N13-J27
Task 2822 of 4096 (2,1,2,0,0,6) R2E-M1-N13-J27
Task 2823 of 4096 (2,1,2,0,0,7) R2E-M1-N13-J27
Task 2824 of 4096 (2,1,2,0,0,8) R2E-M1-N13-J27
Task 2825 of 4096 (2,1,2,0,0,9) R2E-M1-N13-J27
Task 2826 of 4096 (2,1,2,0,0,10) R2E-M1-N13-J27
Task 2827 of 4096 (2,1,2,0,0,11) R2E-M1-N13-J27
Task 2828 of 4096 (2,1,2,0,0,12) R2E-M1-N13-J27
Task 2829 of 4096 (2,1,2,0,0,13) R2E-M1-N13-J27
Task 2830 of 4096 (2,1,2,0,0,14) R2E-M1-N13-J27
Task 2831 of 4096 (2,1,2,0,0,15) R2E-M1-N13-J27
Task 2832 of 4096 (2,1,2,0,1,0) R2E-M1-N13-J28
Task 2833 of 4096 (2,1,2,0,1,1) R2E-M1-N13-J28
Task 2834 of 4096 (2,1,2,0,1,2) R2E-M1-N13-J28
Task 2835 of 4096 (2,1,2,0,1,3) R2E-M1-N13-J28
Task 2836 of 4096 (2,1,2,0,1,4) R2E-M1-N13-J28
Task 2837 of 4096 (2,1,2,0,1,5) R2E-M1-N13-J28
Task 2838 of 4096 (2,1,2,0,1,6) R2E-M1-N13-J28
Task 2839 of 4096 (2,1,2,0,1,7) R2E-M1-N13-J28
Task 2840 of 4096 (2,1,2,0,1,8) R2E-M1-N13-J28
Task 2841 of 4096 (2,1,2,0,1,9) R2E-M1-N13-J28
Task 2842 of 4096 (2,1,2,0,1,10) R2E-M1-N13-J28
Task 2843 of 4096 (2,1,2,0,1,11) R2E-M1-N13-J28
Task 2844 of 4096 (2,1,2,0,1,12) R2E-M1-N13-J28
Task 2845 of 4096 (2,1,2,0,1,13) R2E-M1-N13-J28
Task 2846 of 4096 (2,1,2,0,1,14) R2E-M1-N13-J28
Task 2847 of 4096 (2,1,2,0,1,15) R2E-M1-N13-J28
Task 2848 of 4096 (2,1,2,1,0,0) R2E-M1-N13-J23
Task 2849 of 4096 (2,1,2,1,0,1) R2E-M1-N13-J23
Task 2850 of 4096 (2,1,2,1,0,2) R2E-M1-N13-J23
Task 2851 of 4096 (2,1,2,1,0,3) R2E-M1-N13-J23
Task 2852 of 4096 (2,1,2,1,0,4) R2E-M1-N13-J23
Task 2853 of 4096 (2,1,2,1,0,5) R2E-M1-N13-J23
Task 2854 of 4096 (2,1,2,1,0,6) R2E-M1-N13-J23
Task 2855 of 4096 (2,1,2,1,0,7) R2E-M1-N13-J23
Task 2856 of 4096 (2,1,2,1,0,8) R2E-M1-N13-J23
Task 2857 of 4096 (2,1,2,1,0,9) R2E-M1-N13-J23
Task 2858 of 4096 (2,1,2,1,0,10) R2E-M1-N13-J23
Task 2859 of 4096 (2,1,2,1,0,11) R2E-M1-N13-J23
Task 2860 of 4096 (2,1,2,1,0,12) R2E-M1-N13-J23
Task 2861 of 4096 (2,1,2,1,0,13) R2E-M1-N13-J23
Task 2862 of 4096 (2,1,2,1,0,14) R2E-M1-N13-J23
Task 2863 of 4096 (2,1,2,1,0,15) R2E-M1-N13-J23
Task 2864 of 4096 (2,1,2,1,1,0) R2E-M1-N13-J16
Task 2865 of 4096 (2,1,2,1,1,1) R2E-M1-N13-J16
Task 2866 of 4096 (2,1,2,1,1,2) R2E-M1-N13-J16
Task 2867 of 4096 (2,1,2,1,1,3) R2E-M1-N13-J16
Task 2868 of 4096 (2,1,2,1,1,4) R2E-M1-N13-J16
Task 2869 of 4096 (2,1,2,1,1,5) R2E-M1-N13-J16
Task 2870 of 4096 (2,1,2,1,1,6) R2E-M1-N13-J16
Task 2871 of 4096 (2,1,2,1,1,7) R2E-M1-N13-J16
Task 2872 of 4096 (2,1,2,1,1,8) R2E-M1-N13-J16
Task 2873 of 4096 (2,1,2,1,1,9) R2E-M1-N13-J16
Task 2874 of 4096 (2,1,2,1,1,10) R2E-M1-N13-J16
Task 2875 of 4096 (2,1,2,1,1,11) R2E-M1-N13-J16
Task 2876 of 4096 (2,1,2,1,1,12) R2E-M1-N13-J16
Task 2877 of 4096 (2,1,2,1,1,13) R2E-M1-N13-J16
Task 2878 of 4096 (2,1,2,1,1,14) R2E-M1-N13-J16
Task 2879 of 4096 (2,1,2,1,1,15) R2E-M1-N13-J16
Task 2880 of 4096 (2,1,2,2,0,0) R2E-M1-N15-J23
Task 2881 of 4096 (2,1,2,2,0,1) R2E-M1-N15-J23
Task 2882 of 4096 (2,1,2,2,0,2) R2E-M1-N15-J23
Task 2883 of 4096 (2,1,2,2,0,3) R2E-M1-N15-J23
Task 2884 of 4096 (2,1,2,2,0,4) R2E-M1-N15-J23
Task 2885 of 4096 (2,1,2,2,0,5) R2E-M1-N15-J23
Task 2886 of 4096 (2,1,2,2,0,6) R2E-M1-N15-J23
Task 2887 of 4096 (2,1,2,2,0,7) R2E-M1-N15-J23
Task 2888 of 4096 (2,1,2,2,0,8) R2E-M1-N15-J23
Task 2889 of 4096 (2,1,2,2,0,9) R2E-M1-N15-J23
Task 2890 of 4096 (2,1,2,2,0,10) R2E-M1-N15-J23
Task 2891 of 4096 (2,1,2,2,0,11) R2E-M1-N15-J23
Task 2892 of 4096 (2,1,2,2,0,12) R2E-M1-N15-J23
Task 2893 of 4096 (2,1,2,2,0,13) R2E-M1-N15-J23
Task 2894 of 4096 (2,1,2,2,0,14) R2E-M1-N15-J23
Task 2895 of 4096 (2,1,2,2,0,15) R2E-M1-N15-J23
Task 2896 of 4096 (2,1,2,2,1,0) R2E-M1-N15-J16
Task 2897 of 4096 (2,1,2,2,1,1) R2E-M1-N15-J16
Task 2898 of 4096 (2,1,2,2,1,2) R2E-M1-N15-J16
Task 2899 of 4096 (2,1,2,2,1,3) R2E-M1-N15-J16
Task 2900 of 4096 (2,1,2,2,1,4) R2E-M1-N15-J16
Task 2901 of 4096 (2,1,2,2,1,5) R2E-M1-N15-J16
Task 2902 of 4096 (2,1,2,2,1,6) R2E-M1-N15-J16
Task 2903 of 4096 (2,1,2,2,1,7) R2E-M1-N15-J16
Task 2904 of 4096 (2,1,2,2,1,8) R2E-M1-N15-J16
Task 2905 of 4096 (2,1,2,2,1,9) R2E-M1-N15-J16
Task 2906 of 4096 (2,1,2,2,1,10) R2E-M1-N15-J16
Task 2907 of 4096 (2,1,2,2,1,11) R2E-M1-N15-J16
Task 2908 of 4096 (2,1,2,2,1,12) R2E-M1-N15-J16
Task 2909 of 4096 (2,1,2,2,1,13) R2E-M1-N15-J16
Task 2910 of 4096 (2,1,2,2,1,14) R2E-M1-N15-J16
Task 2911 of 4096 (2,1,2,2,1,15) R2E-M1-N15-J16
Task 2912 of 4096 (2,1,2,3,0,0) R2E-M1-N15-J27
Task 2913 of 4096 (2,1,2,3,0,1) R2E-M1-N15-J27
Task 2914 of 4096 (2,1,2,3,0,2) R2E-M1-N15-J27
Task 2915 of 4096 (2,1,2,3,0,3) R2E-M1-N15-J27
Task 2916 of 4096 (2,1,2,3,0,4) R2E-M1-N15-J27
Task 2917 of 4096 (2,1,2,3,0,5) R2E-M1-N15-J27
Task 2918 of 4096 (2,1,2,3,0,6) R2E-M1-N15-J27
Task 2919 of 4096 (2,1,2,3,0,7) R2E-M1-N15-J27
Task 2920 of 4096 (2,1,2,3,0,8) R2E-M1-N15-J27
Task 2921 of 4096 (2,1,2,3,0,9) R2E-M1-N15-J27
Task 2922 of 4096 (2,1,2,3,0,10) R2E-M1-N15-J27
Task 2923 of 4096 (2,1,2,3,0,11) R2E-M1-N15-J27
Task 2924 of 4096 (2,1,2,3,0,12) R2E-M1-N15-J27
Task 2925 of 4096 (2,1,2,3,0,13) R2E-M1-N15-J27
Task 2926 of 4096 (2,1,2,3,0,14) R2E-M1-N15-J27
Task 2927 of 4096 (2,1,2,3,0,15) R2E-M1-N15-J27
Task 2928 of 4096 (2,1,2,3,1,0) R2E-M1-N15-J28
Task 2929 of 4096 (2,1,2,3,1,1) R2E-M1-N15-J28
Task 2930 of 4096 (2,1,2,3,1,2) R2E-M1-N15-J28
Task 2931 of 4096 (2,1,2,3,1,3) R2E-M1-N15-J28
Task 2932 of 4096 (2,1,2,3,1,4) R2E-M1-N15-J28
Task 2933 of 4096 (2,1,2,3,1,5) R2E-M1-N15-J28
Task 2934 of 4096 (2,1,2,3,1,6) R2E-M1-N15-J28
Task 2935 of 4096 (2,1,2,3,1,7) R2E-M1-N15-J28
Task 2936 of 4096 (2,1,2,3,1,8) R2E-M1-N15-J28
Task 2937 of 4096 (2,1,2,3,1,9) R2E-M1-N15-J28
Task 2938 of 4096 (2,1,2,3,1,10) R2E-M1-N15-J28
Task 2939 of 4096 (2,1,2,3,1,11) R2E-M1-N15-J28
Task 2940 of 4096 (2,1,2,3,1,12) R2E-M1-N15-J28
Task 2941 of 4096 (2,1,2,3,1,13) R2E-M1-N15-J28
Task 2942 of 4096 (2,1,2,3,1,14) R2E-M1-N15-J28
Task 2943 of 4096 (2,1,2,3,1,15) R2E-M1-N15-J28
Task 2944 of 4096 (2,1,3,0,0,0) R2E-M1-N13-J26
Task 2945 of 4096 (2,1,3,0,0,1) R2E-M1-N13-J26
Task 2946 of 4096 (2,1,3,0,0,2) R2E-M1-N13-J26
Task 2947 of 4096 (2,1,3,0,0,3) R2E-M1-N13-J26
Task 2948 of 4096 (2,1,3,0,0,4) R2E-M1-N13-J26
Task 2949 of 4096 (2,1,3,0,0,5) R2E-M1-N13-J26
Task 2950 of 4096 (2,1,3,0,0,6) R2E-M1-N13-J26
Task 2951 of 4096 (2,1,3,0,0,7) R2E-M1-N13-J26
Task 2952 of 4096 (2,1,3,0,0,8) R2E-M1-N13-J26
Task 2953 of 4096 (2,1,3,0,0,9) R2E-M1-N13-J26
Task 2954 of 4096 (2,1,3,0,0,10) R2E-M1-N13-J26
Task 2955 of 4096 (2,1,3,0,0,11) R2E-M1-N13-J26
Task 2956 of 4096 (2,1,3,0,0,12) R2E-M1-N13-J26
Task 2957 of 4096 (2,1,3,0,0,13) R2E-M1-N13-J26
Task 2958 of 4096 (2,1,3,0,0,14) R2E-M1-N13-J26
Task 2959 of 4096 (2,1,3,0,0,15) R2E-M1-N13-J26
Task 2960 of 4096 (2,1,3,0,1,0) R2E-M1-N13-J29
Task 2961 of 4096 (2,1,3,0,1,1) R2E-M1-N13-J29
Task 2962 of 4096 (2,1,3,0,1,2) R2E-M1-N13-J29
Task 2963 of 4096 (2,1,3,0,1,3) R2E-M1-N13-J29
Task 2964 of 4096 (2,1,3,0,1,4) R2E-M1-N13-J29
Task 2965 of 4096 (2,1,3,0,1,5) R2E-M1-N13-J29
Task 2966 of 4096 (2,1,3,0,1,6) R2E-M1-N13-J29
Task 2967 of 4096 (2,1,3,0,1,7) R2E-M1-N13-J29
Task 2968 of 4096 (2,1,3,0,1,8) R2E-M1-N13-J29
Task 2969 of 4096 (2,1,3,0,1,9) R2E-M1-N13-J29
Task 2970 of 4096 (2,1,3,0,1,10) R2E-M1-N13-J29
Task 2971 of 4096 (2,1,3,0,1,11) R2E-M1-N13-J29
Task 2972 of 4096 (2,1,3,0,1,12) R2E-M1-N13-J29
Task 2973 of 4096 (2,1,3,0,1,13) R2E-M1-N13-J29
Task 2974 of 4096 (2,1,3,0,1,14) R2E-M1-N13-J29
Task 2975 of 4096 (2,1,3,0,1,15) R2E-M1-N13-J29
Task 2976 of 4096 (2,1,3,1,0,0) R2E-M1-N13-J22
Task 2977 of 4096 (2,1,3,1,0,1) R2E-M1-N13-J22
Task 2978 of 4096 (2,1,3,1,0,2) R2E-M1-N13-J22
Task 2979 of 4096 (2,1,3,1,0,3) R2E-M1-N13-J22
Task 2980 of 4096 (2,1,3,1,0,4) R2E-M1-N13-J22
Task 2981 of 4096 (2,1,3,1,0,5) R2E-M1-N13-J22
Task 2982 of 4096 (2,1,3,1,0,6) R2E-M1-N13-J22
Task 2983 of 4096 (2,1,3,1,0,7) R2E-M1-N13-J22
Task 2984 of 4096 (2,1,3,1,0,8) R2E-M1-N13-J22
Task 2985 of 4096 (2,1,3,1,0,9) R2E-M1-N13-J22
Task 2986 of 4096 (2,1,3,1,0,10) R2E-M1-N13-J22
Task 2987 of 4096 (2,1,3,1,0,11) R2E-M1-N13-J22
Task 2988 of 4096 (2,1,3,1,0,12) R2E-M1-N13-J22
Task 2989 of 4096 (2,1,3,1,0,13) R2E-M1-N13-J22
Task 2990 of 4096 (2,1,3,1,0,14) R2E-M1-N13-J22
Task 2991 of 4096 (2,1,3,1,0,15) R2E-M1-N13-J22
Task 2992 of 4096 (2,1,3,1,1,0) R2E-M1-N13-J17
Task 2993 of 4096 (2,1,3,1,1,1) R2E-M1-N13-J17
Task 2994 of 4096 (2,1,3,1,1,2) R2E-M1-N13-J17
Task 2995 of 4096 (2,1,3,1,1,3) R2E-M1-N13-J17
Task 2996 of 4096 (2,1,3,1,1,4) R2E-M1-N13-J17
Task 2997 of 4096 (2,1,3,1,1,5) R2E-M1-N13-J17
Task 2998 of 4096 (2,1,3,1,1,6) R2E-M1-N13-J17
Task 2999 of 4096 (2,1,3,1,1,7) R2E-M1-N13-J17
Task 3000 of 4096 (2,1,3,1,1,8) R2E-M1-N13-J17
Task 3001 of 4096 (2,1,3,1,1,9) R2E-M1-N13-J17
Task 3002 of 4096 (2,1,3,1,1,10) R2E-M1-N13-J17
Task 3003 of 4096 (2,1,3,1,1,11) R2E-M1-N13-J17
Task 3004 of 4096 (2,1,3,1,1,12) R2E-M1-N13-J17
Task 3005 of 4096 (2,1,3,1,1,13) R2E-M1-N13-J17
Task 3006 of 4096 (2,1,3,1,1,14) R2E-M1-N13-J17
Task 3007 of 4096 (2,1,3,1,1,15) R2E-M1-N13-J17
Task 3008 of 4096 (2,1,3,2,0,0) R2E-M1-N15-J22
Task 3009 of 4096 (2,1,3,2,0,1) R2E-M1-N15-J22
Task 3010 of 4096 (2,1,3,2,0,2) R2E-M1-N15-J22
Task 3011 of 4096 (2,1,3,2,0,3) R2E-M1-N15-J22
Task 3012 of 4096 (2,1,3,2,0,4) R2E-M1-N15-J22
Task 3013 of 4096 (2,1,3,2,0,5) R2E-M1-N15-J22
Task 3014 of 4096 (2,1,3,2,0,6) R2E-M1-N15-J22
Task 3015 of 4096 (2,1,3,2,0,7) R2E-M1-N15-J22
Task 3016 of 4096 (2,1,3,2,0,8) R2E-M1-N15-J22
Task 3017 of 4096 (2,1,3,2,0,9) R2E-M1-N15-J22
Task 3018 of 4096 (2,1,3,2,0,10) R2E-M1-N15-J22
Task 3019 of 4096 (2,1,3,2,0,11) R2E-M1-N15-J22
Task 3020 of 4096 (2,1,3,2,0,12) R2E-M1-N15-J22
Task 3021 of 4096 (2,1,3,2,0,13) R2E-M1-N15-J22
Task 3022 of 4096 (2,1,3,2,0,14) R2E-M1-N15-J22
Task 3023 of 4096 (2,1,3,2,0,15) R2E-M1-N15-J22
Task 3024 of 4096 (2,1,3,2,1,0) R2E-M1-N15-J17
Task 3025 of 4096 (2,1,3,2,1,1) R2E-M1-N15-J17
Task 3026 of 4096 (2,1,3,2,1,2) R2E-M1-N15-J17
Task 3027 of 4096 (2,1,3,2,1,3) R2E-M1-N15-J17
Task 3028 of 4096 (2,1,3,2,1,4) R2E-M1-N15-J17
Task 3029 of 4096 (2,1,3,2,1,5) R2E-M1-N15-J17
Task 3030 of 4096 (2,1,3,2,1,6) R2E-M1-N15-J17
Task 3031 of 4096 (2,1,3,2,1,7) R2E-M1-N15-J17
Task 3032 of 4096 (2,1,3,2,1,8) R2E-M1-N15-J17
Task 3033 of 4096 (2,1,3,2,1,9) R2E-M1-N15-J17
Task 3034 of 4096 (2,1,3,2,1,10) R2E-M1-N15-J17
Task 3035 of 4096 (2,1,3,2,1,11) R2E-M1-N15-J17
Task 3036 of 4096 (2,1,3,2,1,12) R2E-M1-N15-J17
Task 3037 of 4096 (2,1,3,2,1,13) R2E-M1-N15-J17
Task 3038 of 4096 (2,1,3,2,1,14) R2E-M1-N15-J17
Task 3039 of 4096 (2,1,3,2,1,15) R2E-M1-N15-J17
Task 3040 of 4096 (2,1,3,3,0,0) R2E-M1-N15-J26
Task 3041 of 4096 (2,1,3,3,0,1) R2E-M1-N15-J26
Task 3042 of 4096 (2,1,3,3,0,2) R2E-M1-N15-J26
Task 3043 of 4096 (2,1,3,3,0,3) R2E-M1-N15-J26
Task 3044 of 4096 (2,1,3,3,0,4) R2E-M1-N15-J26
Task 3045 of 4096 (2,1,3,3,0,5) R2E-M1-N15-J26
Task 3046 of 4096 (2,1,3,3,0,6) R2E-M1-N15-J26
Task 3047 of 4096 (2,1,3,3,0,7) R2E-M1-N15-J26
Task 3048 of 4096 (2,1,3,3,0,8) R2E-M1-N15-J26
Task 3049 of 4096 (2,1,3,3,0,9) R2E-M1-N15-J26
Task 3050 of 4096 (2,1,3,3,0,10) R2E-M1-N15-J26
Task 3051 of 4096 (2,1,3,3,0,11) R2E-M1-N15-J26
Task 3052 of 4096 (2,1,3,3,0,12) R2E-M1-N15-J26
Task 3053 of 4096 (2,1,3,3,0,13) R2E-M1-N15-J26
Task 3054 of 4096 (2,1,3,3,0,14) R2E-M1-N15-J26
Task 3055 of 4096 (2,1,3,3,0,15) R2E-M1-N15-J26
Task 3056 of 4096 (2,1,3,3,1,0) R2E-M1-N15-J29
Task 3057 of 4096 (2,1,3,3,1,1) R2E-M1-N15-J29
Task 3058 of 4096 (2,1,3,3,1,2) R2E-M1-N15-J29
Task 3059 of 4096 (2,1,3,3,1,3) R2E-M1-N15-J29
Task 3060 of 4096 (2,1,3,3,1,4) R2E-M1-N15-J29
Task 3061 of 4096 (2,1,3,3,1,5) R2E-M1-N15-J29
Task 3062 of 4096 (2,1,3,3,1,6) R2E-M1-N15-J29
Task 3063 of 4096 (2,1,3,3,1,7) R2E-M1-N15-J29
Task 3064 of 4096 (2,1,3,3,1,8) R2E-M1-N15-J29
Task 3065 of 4096 (2,1,3,3,1,9) R2E-M1-N15-J29
Task 3066 of 4096 (2,1,3,3,1,10) R2E-M1-N15-J29
Task 3067 of 4096 (2,1,3,3,1,11) R2E-M1-N15-J29
Task 3068 of 4096 (2,1,3,3,1,12) R2E-M1-N15-J29
Task 3069 of 4096 (2,1,3,3,1,13) R2E-M1-N15-J29
Task 3070 of 4096 (2,1,3,3,1,14) R2E-M1-N15-J29
Task 3071 of 4096 (2,1,3,3,1,15) R2E-M1-N15-J29
Task 3072 of 4096 (3,0,0,0,0,0) R2E-M1-N12-J04
Task 3073 of 4096 (3,0,0,0,0,1) R2E-M1-N12-J04
Task 3074 of 4096 (3,0,0,0,0,2) R2E-M1-N12-J04
Task 3075 of 4096 (3,0,0,0,0,3) R2E-M1-N12-J04
Task 3076 of 4096 (3,0,0,0,0,4) R2E-M1-N12-J04
Task 3077 of 4096 (3,0,0,0,0,5) R2E-M1-N12-J04
Task 3078 of 4096 (3,0,0,0,0,6) R2E-M1-N12-J04
Task 3079 of 4096 (3,0,0,0,0,7) R2E-M1-N12-J04
Task 3080 of 4096 (3,0,0,0,0,8) R2E-M1-N12-J04
Task 3081 of 4096 (3,0,0,0,0,9) R2E-M1-N12-J04
Task 3082 of 4096 (3,0,0,0,0,10) R2E-M1-N12-J04
Task 3083 of 4096 (3,0,0,0,0,11) R2E-M1-N12-J04
Task 3084 of 4096 (3,0,0,0,0,12) R2E-M1-N12-J04
Task 3085 of 4096 (3,0,0,0,0,13) R2E-M1-N12-J04
Task 3086 of 4096 (3,0,0,0,0,14) R2E-M1-N12-J04
Task 3087 of 4096 (3,0,0,0,0,15) R2E-M1-N12-J04
Task 3088 of 4096 (3,0,0,0,1,0) R2E-M1-N12-J03
Task 3089 of 4096 (3,0,0,0,1,1) R2E-M1-N12-J03
Task 3090 of 4096 (3,0,0,0,1,2) R2E-M1-N12-J03
Task 3091 of 4096 (3,0,0,0,1,3) R2E-M1-N12-J03
Task 3092 of 4096 (3,0,0,0,1,4) R2E-M1-N12-J03
Task 3093 of 4096 (3,0,0,0,1,5) R2E-M1-N12-J03
Task 3094 of 4096 (3,0,0,0,1,6) R2E-M1-N12-J03
Task 3095 of 4096 (3,0,0,0,1,7) R2E-M1-N12-J03
Task 3096 of 4096 (3,0,0,0,1,8) R2E-M1-N12-J03
Task 3097 of 4096 (3,0,0,0,1,9) R2E-M1-N12-J03
Task 3098 of 4096 (3,0,0,0,1,10) R2E-M1-N12-J03
Task 3099 of 4096 (3,0,0,0,1,11) R2E-M1-N12-J03
Task 3100 of 4096 (3,0,0,0,1,12) R2E-M1-N12-J03
Task 3101 of 4096 (3,0,0,0,1,13) R2E-M1-N12-J03
Task 3102 of 4096 (3,0,0,0,1,14) R2E-M1-N12-J03
Task 3103 of 4096 (3,0,0,0,1,15) R2E-M1-N12-J03
Task 3104 of 4096 (3,0,0,1,0,0) R2E-M1-N12-J08
Task 3105 of 4096 (3,0,0,1,0,1) R2E-M1-N12-J08
Task 3106 of 4096 (3,0,0,1,0,2) R2E-M1-N12-J08
Task 3107 of 4096 (3,0,0,1,0,3) R2E-M1-N12-J08
Task 3108 of 4096 (3,0,0,1,0,4) R2E-M1-N12-J08
Task 3109 of 4096 (3,0,0,1,0,5) R2E-M1-N12-J08
Task 3110 of 4096 (3,0,0,1,0,6) R2E-M1-N12-J08
Task 3111 of 4096 (3,0,0,1,0,7) R2E-M1-N12-J08
Task 3112 of 4096 (3,0,0,1,0,8) R2E-M1-N12-J08
Task 3113 of 4096 (3,0,0,1,0,9) R2E-M1-N12-J08
Task 3114 of 4096 (3,0,0,1,0,10) R2E-M1-N12-J08
Task 3115 of 4096 (3,0,0,1,0,11) R2E-M1-N12-J08
Task 3116 of 4096 (3,0,0,1,0,12) R2E-M1-N12-J08
Task 3117 of 4096 (3,0,0,1,0,13) R2E-M1-N12-J08
Task 3118 of 4096 (3,0,0,1,0,14) R2E-M1-N12-J08
Task 3119 of 4096 (3,0,0,1,0,15) R2E-M1-N12-J08
Task 3120 of 4096 (3,0,0,1,1,0) R2E-M1-N12-J15
Task 3121 of 4096 (3,0,0,1,1,1) R2E-M1-N12-J15
Task 3122 of 4096 (3,0,0,1,1,2) R2E-M1-N12-J15
Task 3123 of 4096 (3,0,0,1,1,3) R2E-M1-N12-J15
Task 3124 of 4096 (3,0,0,1,1,4) R2E-M1-N12-J15
Task 3125 of 4096 (3,0,0,1,1,5) R2E-M1-N12-J15
Task 3126 of 4096 (3,0,0,1,1,6) R2E-M1-N12-J15
Task 3127 of 4096 (3,0,0,1,1,7) R2E-M1-N12-J15
Task 3128 of 4096 (3,0,0,1,1,8) R2E-M1-N12-J15
Task 3129 of 4096 (3,0,0,1,1,9) R2E-M1-N12-J15
Task 3130 of 4096 (3,0,0,1,1,10) R2E-M1-N12-J15
Task 3131 of 4096 (3,0,0,1,1,11) R2E-M1-N12-J15
Task 3132 of 4096 (3,0,0,1,1,12) R2E-M1-N12-J15
Task 3133 of 4096 (3,0,0,1,1,13) R2E-M1-N12-J15
Task 3134 of 4096 (3,0,0,1,1,14) R2E-M1-N12-J15
Task 3135 of 4096 (3,0,0,1,1,15) R2E-M1-N12-J15
Task 3136 of 4096 (3,0,0,2,0,0) R2E-M1-N14-J08
Task 3137 of 4096 (3,0,0,2,0,1) R2E-M1-N14-J08
Task 3138 of 4096 (3,0,0,2,0,2) R2E-M1-N14-J08
Task 3139 of 4096 (3,0,0,2,0,3) R2E-M1-N14-J08
Task 3140 of 4096 (3,0,0,2,0,4) R2E-M1-N14-J08
Task 3141 of 4096 (3,0,0,2,0,5) R2E-M1-N14-J08
Task 3142 of 4096 (3,0,0,2,0,6) R2E-M1-N14-J08
Task 3143 of 4096 (3,0,0,2,0,7) R2E-M1-N14-J08
Task 3144 of 4096 (3,0,0,2,0,8) R2E-M1-N14-J08
Task 3145 of 4096 (3,0,0,2,0,9) R2E-M1-N14-J08
Task 3146 of 4096 (3,0,0,2,0,10) R2E-M1-N14-J08
Task 3147 of 4096 (3,0,0,2,0,11) R2E-M1-N14-J08
Task 3148 of 4096 (3,0,0,2,0,12) R2E-M1-N14-J08
Task 3149 of 4096 (3,0,0,2,0,13) R2E-M1-N14-J08
Task 3150 of 4096 (3,0,0,2,0,14) R2E-M1-N14-J08
Task 3151 of 4096 (3,0,0,2,0,15) R2E-M1-N14-J08
Task 3152 of 4096 (3,0,0,2,1,0) R2E-M1-N14-J15
Task 3153 of 4096 (3,0,0,2,1,1) R2E-M1-N14-J15
Task 3154 of 4096 (3,0,0,2,1,2) R2E-M1-N14-J15
Task 3155 of 4096 (3,0,0,2,1,3) R2E-M1-N14-J15
Task 3156 of 4096 (3,0,0,2,1,4) R2E-M1-N14-J15
Task 3157 of 4096 (3,0,0,2,1,5) R2E-M1-N14-J15
Task 3158 of 4096 (3,0,0,2,1,6) R2E-M1-N14-J15
Task 3159 of 4096 (3,0,0,2,1,7) R2E-M1-N14-J15
Task 3160 of 4096 (3,0,0,2,1,8) R2E-M1-N14-J15
Task 3161 of 4096 (3,0,0,2,1,9) R2E-M1-N14-J15
Task 3162 of 4096 (3,0,0,2,1,10) R2E-M1-N14-J15
Task 3163 of 4096 (3,0,0,2,1,11) R2E-M1-N14-J15
Task 3164 of 4096 (3,0,0,2,1,12) R2E-M1-N14-J15
Task 3165 of 4096 (3,0,0,2,1,13) R2E-M1-N14-J15
Task 3166 of 4096 (3,0,0,2,1,14) R2E-M1-N14-J15
Task 3167 of 4096 (3,0,0,2,1,15) R2E-M1-N14-J15
Task 3168 of 4096 (3,0,0,3,0,0) R2E-M1-N14-J04
Task 3169 of 4096 (3,0,0,3,0,1) R2E-M1-N14-J04
Task 3170 of 4096 (3,0,0,3,0,2) R2E-M1-N14-J04
Task 3171 of 4096 (3,0,0,3,0,3) R2E-M1-N14-J04
Task 3172 of 4096 (3,0,0,3,0,4) R2E-M1-N14-J04
Task 3173 of 4096 (3,0,0,3,0,5) R2E-M1-N14-J04
Task 3174 of 4096 (3,0,0,3,0,6) R2E-M1-N14-J04
Task 3175 of 4096 (3,0,0,3,0,7) R2E-M1-N14-J04
Task 3176 of 4096 (3,0,0,3,0,8) R2E-M1-N14-J04
Task 3177 of 4096 (3,0,0,3,0,9) R2E-M1-N14-J04
Task 3178 of 4096 (3,0,0,3,0,10) R2E-M1-N14-J04
Task 3179 of 4096 (3,0,0,3,0,11) R2E-M1-N14-J04
Task 3180 of 4096 (3,0,0,3,0,12) R2E-M1-N14-J04
Task 3181 of 4096 (3,0,0,3,0,13) R2E-M1-N14-J04
Task 3182 of 4096 (3,0,0,3,0,14) R2E-M1-N14-J04
Task 3183 of 4096 (3,0,0,3,0,15) R2E-M1-N14-J04
Task 3184 of 4096 (3,0,0,3,1,0) R2E-M1-N14-J03
Task 3185 of 4096 (3,0,0,3,1,1) R2E-M1-N14-J03
Task 3186 of 4096 (3,0,0,3,1,2) R2E-M1-N14-J03
Task 3187 of 4096 (3,0,0,3,1,3) R2E-M1-N14-J03
Task 3188 of 4096 (3,0,0,3,1,4) R2E-M1-N14-J03
Task 3189 of 4096 (3,0,0,3,1,5) R2E-M1-N14-J03
Task 3190 of 4096 (3,0,0,3,1,6) R2E-M1-N14-J03
Task 3191 of 4096 (3,0,0,3,1,7) R2E-M1-N14-J03
Task 3192 of 4096 (3,0,0,3,1,8) R2E-M1-N14-J03
Task 3193 of 4096 (3,0,0,3,1,9) R2E-M1-N14-J03
Task 3194 of 4096 (3,0,0,3,1,10) R2E-M1-N14-J03
Task 3195 of 4096 (3,0,0,3,1,11) R2E-M1-N14-J03
Task 3196 of 4096 (3,0,0,3,1,12) R2E-M1-N14-J03
Task 3197 of 4096 (3,0,0,3,1,13) R2E-M1-N14-J03
Task 3198 of 4096 (3,0,0,3,1,14) R2E-M1-N14-J03
Task 3199 of 4096 (3,0,0,3,1,15) R2E-M1-N14-J03
Task 3200 of 4096 (3,0,1,0,0,0) R2E-M1-N12-J05
Task 3201 of 4096 (3,0,1,0,0,1) R2E-M1-N12-J05
Task 3202 of 4096 (3,0,1,0,0,2) R2E-M1-N12-J05
Task 3203 of 4096 (3,0,1,0,0,3) R2E-M1-N12-J05
Task 3204 of 4096 (3,0,1,0,0,4) R2E-M1-N12-J05
Task 3205 of 4096 (3,0,1,0,0,5) R2E-M1-N12-J05
Task 3206 of 4096 (3,0,1,0,0,6) R2E-M1-N12-J05
Task 3207 of 4096 (3,0,1,0,0,7) R2E-M1-N12-J05
Task 3208 of 4096 (3,0,1,0,0,8) R2E-M1-N12-J05
Task 3209 of 4096 (3,0,1,0,0,9) R2E-M1-N12-J05
Task 3210 of 4096 (3,0,1,0,0,10) R2E-M1-N12-J05
Task 3211 of 4096 (3,0,1,0,0,11) R2E-M1-N12-J05
Task 3212 of 4096 (3,0,1,0,0,12) R2E-M1-N12-J05
Task 3213 of 4096 (3,0,1,0,0,13) R2E-M1-N12-J05
Task 3214 of 4096 (3,0,1,0,0,14) R2E-M1-N12-J05
Task 3215 of 4096 (3,0,1,0,0,15) R2E-M1-N12-J05
Task 3216 of 4096 (3,0,1,0,1,0) R2E-M1-N12-J02
Task 3217 of 4096 (3,0,1,0,1,1) R2E-M1-N12-J02
Task 3218 of 4096 (3,0,1,0,1,2) R2E-M1-N12-J02
Task 3219 of 4096 (3,0,1,0,1,3) R2E-M1-N12-J02
Task 3220 of 4096 (3,0,1,0,1,4) R2E-M1-N12-J02
Task 3221 of 4096 (3,0,1,0,1,5) R2E-M1-N12-J02
Task 3222 of 4096 (3,0,1,0,1,6) R2E-M1-N12-J02
Task 3223 of 4096 (3,0,1,0,1,7) R2E-M1-N12-J02
Task 3224 of 4096 (3,0,1,0,1,8) R2E-M1-N12-J02
Task 3225 of 4096 (3,0,1,0,1,9) R2E-M1-N12-J02
Task 3226 of 4096 (3,0,1,0,1,10) R2E-M1-N12-J02
Task 3227 of 4096 (3,0,1,0,1,11) R2E-M1-N12-J02
Task 3228 of 4096 (3,0,1,0,1,12) R2E-M1-N12-J02
Task 3229 of 4096 (3,0,1,0,1,13) R2E-M1-N12-J02
Task 3230 of 4096 (3,0,1,0,1,14) R2E-M1-N12-J02
Task 3231 of 4096 (3,0,1,0,1,15) R2E-M1-N12-J02
Task 3232 of 4096 (3,0,1,1,0,0) R2E-M1-N12-J09
Task 3233 of 4096 (3,0,1,1,0,1) R2E-M1-N12-J09
Task 3234 of 4096 (3,0,1,1,0,2) R2E-M1-N12-J09
Task 3235 of 4096 (3,0,1,1,0,3) R2E-M1-N12-J09
Task 3236 of 4096 (3,0,1,1,0,4) R2E-M1-N12-J09
Task 3237 of 4096 (3,0,1,1,0,5) R2E-M1-N12-J09
Task 3238 of 4096 (3,0,1,1,0,6) R2E-M1-N12-J09
Task 3239 of 4096 (3,0,1,1,0,7) R2E-M1-N12-J09
Task 3240 of 4096 (3,0,1,1,0,8) R2E-M1-N12-J09
Task 3241 of 4096 (3,0,1,1,0,9) R2E-M1-N12-J09
Task 3242 of 4096 (3,0,1,1,0,10) R2E-M1-N12-J09
Task 3243 of 4096 (3,0,1,1,0,11) R2E-M1-N12-J09
Task 3244 of 4096 (3,0,1,1,0,12) R2E-M1-N12-J09
Task 3245 of 4096 (3,0,1,1,0,13) R2E-M1-N12-J09
Task 3246 of 4096 (3,0,1,1,0,14) R2E-M1-N12-J09
Task 3247 of 4096 (3,0,1,1,0,15) R2E-M1-N12-J09
Task 3248 of 4096 (3,0,1,1,1,0) R2E-M1-N12-J14
Task 3249 of 4096 (3,0,1,1,1,1) R2E-M1-N12-J14
Task 3250 of 4096 (3,0,1,1,1,2) R2E-M1-N12-J14
Task 3251 of 4096 (3,0,1,1,1,3) R2E-M1-N12-J14
Task 3252 of 4096 (3,0,1,1,1,4) R2E-M1-N12-J14
Task 3253 of 4096 (3,0,1,1,1,5) R2E-M1-N12-J14
Task 3254 of 4096 (3,0,1,1,1,6) R2E-M1-N12-J14
Task 3255 of 4096 (3,0,1,1,1,7) R2E-M1-N12-J14
Task 3256 of 4096 (3,0,1,1,1,8) R2E-M1-N12-J14
Task 3257 of 4096 (3,0,1,1,1,9) R2E-M1-N12-J14
Task 3258 of 4096 (3,0,1,1,1,10) R2E-M1-N12-J14
Task 3259 of 4096 (3,0,1,1,1,11) R2E-M1-N12-J14
Task 3260 of 4096 (3,0,1,1,1,12) R2E-M1-N12-J14
Task 3261 of 4096 (3,0,1,1,1,13) R2E-M1-N12-J14
Task 3262 of 4096 (3,0,1,1,1,14) R2E-M1-N12-J14
Task 3263 of 4096 (3,0,1,1,1,15) R2E-M1-N12-J14
Task 3264 of 4096 (3,0,1,2,0,0) R2E-M1-N14-J09
Task 3265 of 4096 (3,0,1,2,0,1) R2E-M1-N14-J09
Task 3266 of 4096 (3,0,1,2,0,2) R2E-M1-N14-J09
Task 3267 of 4096 (3,0,1,2,0,3) R2E-M1-N14-J09
Task 3268 of 4096 (3,0,1,2,0,4) R2E-M1-N14-J09
Task 3269 of 4096 (3,0,1,2,0,5) R2E-M1-N14-J09
Task 3270 of 4096 (3,0,1,2,0,6) R2E-M1-N14-J09
Task 3271 of 4096 (3,0,1,2,0,7) R2E-M1-N14-J09
Task 3272 of 4096 (3,0,1,2,0,8) R2E-M1-N14-J09
Task 3273 of 4096 (3,0,1,2,0,9) R2E-M1-N14-J09
Task 3274 of 4096 (3,0,1,2,0,10) R2E-M1-N14-J09
Task 3275 of 4096 (3,0,1,2,0,11) R2E-M1-N14-J09
Task 3276 of 4096 (3,0,1,2,0,12) R2E-M1-N14-J09
Task 3277 of 4096 (3,0,1,2,0,13) R2E-M1-N14-J09
Task 3278 of 4096 (3,0,1,2,0,14) R2E-M1-N14-J09
Task 3279 of 4096 (3,0,1,2,0,15) R2E-M1-N14-J09
Task 3280 of 4096 (3,0,1,2,1,0) R2E-M1-N14-J14
Task 3281 of 4096 (3,0,1,2,1,1) R2E-M1-N14-J14
Task 3282 of 4096 (3,0,1,2,1,2) R2E-M1-N14-J14
Task 3283 of 4096 (3,0,1,2,1,3) R2E-M1-N14-J14
Task 3284 of 4096 (3,0,1,2,1,4) R2E-M1-N14-J14
Task 3285 of 4096 (3,0,1,2,1,5) R2E-M1-N14-J14
Task 3286 of 4096 (3,0,1,2,1,6) R2E-M1-N14-J14
Task 3287 of 4096 (3,0,1,2,1,7) R2E-M1-N14-J14
Task 3288 of 4096 (3,0,1,2,1,8) R2E-M1-N14-J14
Task 3289 of 4096 (3,0,1,2,1,9) R2E-M1-N14-J14
Task 3290 of 4096 (3,0,1,2,1,10) R2E-M1-N14-J14
Task 3291 of 4096 (3,0,1,2,1,11) R2E-M1-N14-J14
Task 3292 of 4096 (3,0,1,2,1,12) R2E-M1-N14-J14
Task 3293 of 4096 (3,0,1,2,1,13) R2E-M1-N14-J14
Task 3294 of 4096 (3,0,1,2,1,14) R2E-M1-N14-J14
Task 3295 of 4096 (3,0,1,2,1,15) R2E-M1-N14-J14
Task 3296 of 4096 (3,0,1,3,0,0) R2E-M1-N14-J05
Task 3297 of 4096 (3,0,1,3,0,1) R2E-M1-N14-J05
Task 3298 of 4096 (3,0,1,3,0,2) R2E-M1-N14-J05
Task 3299 of 4096 (3,0,1,3,0,3) R2E-M1-N14-J05
Task 3300 of 4096 (3,0,1,3,0,4) R2E-M1-N14-J05
Task 3301 of 4096 (3,0,1,3,0,5) R2E-M1-N14-J05
Task 3302 of 4096 (3,0,1,3,0,6) R2E-M1-N14-J05
Task 3303 of 4096 (3,0,1,3,0,7) R2E-M1-N14-J05
Task 3304 of 4096 (3,0,1,3,0,8) R2E-M1-N14-J05
Task 3305 of 4096 (3,0,1,3,0,9) R2E-M1-N14-J05
Task 3306 of 4096 (3,0,1,3,0,10) R2E-M1-N14-J05
Task 3307 of 4096 (3,0,1,3,0,11) R2E-M1-N14-J05
Task 3308 of 4096 (3,0,1,3,0,12) R2E-M1-N14-J05
Task 3309 of 4096 (3,0,1,3,0,13) R2E-M1-N14-J05
Task 3310 of 4096 (3,0,1,3,0,14) R2E-M1-N14-J05
Task 3311 of 4096 (3,0,1,3,0,15) R2E-M1-N14-J05
Task 3312 of 4096 (3,0,1,3,1,0) R2E-M1-N14-J02
Task 3313 of 4096 (3,0,1,3,1,1) R2E-M1-N14-J02
Task 3314 of 4096 (3,0,1,3,1,2) R2E-M1-N14-J02
Task 3315 of 4096 (3,0,1,3,1,3) R2E-M1-N14-J02
Task 3316 of 4096 (3,0,1,3,1,4) R2E-M1-N14-J02
Task 3317 of 4096 (3,0,1,3,1,5) R2E-M1-N14-J02
Task 3318 of 4096 (3,0,1,3,1,6) R2E-M1-N14-J02
Task 3319 of 4096 (3,0,1,3,1,7) R2E-M1-N14-J02
Task 3320 of 4096 (3,0,1,3,1,8) R2E-M1-N14-J02
Task 3321 of 4096 (3,0,1,3,1,9) R2E-M1-N14-J02
Task 3322 of 4096 (3,0,1,3,1,10) R2E-M1-N14-J02
Task 3323 of 4096 (3,0,1,3,1,11) R2E-M1-N14-J02
Task 3324 of 4096 (3,0,1,3,1,12) R2E-M1-N14-J02
Task 3325 of 4096 (3,0,1,3,1,13) R2E-M1-N14-J02
Task 3326 of 4096 (3,0,1,3,1,14) R2E-M1-N14-J02
Task 3327 of 4096 (3,0,1,3,1,15) R2E-M1-N14-J02
Task 3328 of 4096 (3,0,2,0,0,0) R2E-M1-N13-J05
Task 3329 of 4096 (3,0,2,0,0,1) R2E-M1-N13-J05
Task 3330 of 4096 (3,0,2,0,0,2) R2E-M1-N13-J05
Task 3331 of 4096 (3,0,2,0,0,3) R2E-M1-N13-J05
Task 3332 of 4096 (3,0,2,0,0,4) R2E-M1-N13-J05
Task 3333 of 4096 (3,0,2,0,0,5) R2E-M1-N13-J05
Task 3334 of 4096 (3,0,2,0,0,6) R2E-M1-N13-J05
Task 3335 of 4096 (3,0,2,0,0,7) R2E-M1-N13-J05
Task 3336 of 4096 (3,0,2,0,0,8) R2E-M1-N13-J05
Task 3337 of 4096 (3,0,2,0,0,9) R2E-M1-N13-J05
Task 3338 of 4096 (3,0,2,0,0,10) R2E-M1-N13-J05
Task 3339 of 4096 (3,0,2,0,0,11) R2E-M1-N13-J05
Task 3340 of 4096 (3,0,2,0,0,12) R2E-M1-N13-J05
Task 3341 of 4096 (3,0,2,0,0,13) R2E-M1-N13-J05
Task 3342 of 4096 (3,0,2,0,0,14) R2E-M1-N13-J05
Task 3343 of 4096 (3,0,2,0,0,15) R2E-M1-N13-J05
Task 3344 of 4096 (3,0,2,0,1,0) R2E-M1-N13-J02
Task 3345 of 4096 (3,0,2,0,1,1) R2E-M1-N13-J02
Task 3346 of 4096 (3,0,2,0,1,2) R2E-M1-N13-J02
Task 3347 of 4096 (3,0,2,0,1,3) R2E-M1-N13-J02
Task 3348 of 4096 (3,0,2,0,1,4) R2E-M1-N13-J02
Task 3349 of 4096 (3,0,2,0,1,5) R2E-M1-N13-J02
Task 3350 of 4096 (3,0,2,0,1,6) R2E-M1-N13-J02
Task 3351 of 4096 (3,0,2,0,1,7) R2E-M1-N13-J02
Task 3352 of 4096 (3,0,2,0,1,8) R2E-M1-N13-J02
Task 3353 of 4096 (3,0,2,0,1,9) R2E-M1-N13-J02
Task 3354 of 4096 (3,0,2,0,1,10) R2E-M1-N13-J02
Task 3355 of 4096 (3,0,2,0,1,11) R2E-M1-N13-J02
Task 3356 of 4096 (3,0,2,0,1,12) R2E-M1-N13-J02
Task 3357 of 4096 (3,0,2,0,1,13) R2E-M1-N13-J02
Task 3358 of 4096 (3,0,2,0,1,14) R2E-M1-N13-J02
Task 3359 of 4096 (3,0,2,0,1,15) R2E-M1-N13-J02
Task 3360 of 4096 (3,0,2,1,0,0) R2E-M1-N13-J09
Task 3361 of 4096 (3,0,2,1,0,1) R2E-M1-N13-J09
Task 3362 of 4096 (3,0,2,1,0,2) R2E-M1-N13-J09
Task 3363 of 4096 (3,0,2,1,0,3) R2E-M1-N13-J09
Task 3364 of 4096 (3,0,2,1,0,4) R2E-M1-N13-J09
Task 3365 of 4096 (3,0,2,1,0,5) R2E-M1-N13-J09
Task 3366 of 4096 (3,0,2,1,0,6) R2E-M1-N13-J09
Task 3367 of 4096 (3,0,2,1,0,7) R2E-M1-N13-J09
Task 3368 of 4096 (3,0,2,1,0,8) R2E-M1-N13-J09
Task 3369 of 4096 (3,0,2,1,0,9) R2E-M1-N13-J09
Task 3370 of 4096 (3,0,2,1,0,10) R2E-M1-N13-J09
Task 3371 of 4096 (3,0,2,1,0,11) R2E-M1-N13-J09
Task 3372 of 4096 (3,0,2,1,0,12) R2E-M1-N13-J09
Task 3373 of 4096 (3,0,2,1,0,13) R2E-M1-N13-J09
Task 3374 of 4096 (3,0,2,1,0,14) R2E-M1-N13-J09
Task 3375 of 4096 (3,0,2,1,0,15) R2E-M1-N13-J09
Task 3376 of 4096 (3,0,2,1,1,0) R2E-M1-N13-J14
Task 3377 of 4096 (3,0,2,1,1,1) R2E-M1-N13-J14
Task 3378 of 4096 (3,0,2,1,1,2) R2E-M1-N13-J14
Task 3379 of 4096 (3,0,2,1,1,3) R2E-M1-N13-J14
Task 3380 of 4096 (3,0,2,1,1,4) R2E-M1-N13-J14
Task 3381 of 4096 (3,0,2,1,1,5) R2E-M1-N13-J14
Task 3382 of 4096 (3,0,2,1,1,6) R2E-M1-N13-J14
Task 3383 of 4096 (3,0,2,1,1,7) R2E-M1-N13-J14
Task 3384 of 4096 (3,0,2,1,1,8) R2E-M1-N13-J14
Task 3385 of 4096 (3,0,2,1,1,9) R2E-M1-N13-J14
Task 3386 of 4096 (3,0,2,1,1,10) R2E-M1-N13-J14
Task 3387 of 4096 (3,0,2,1,1,11) R2E-M1-N13-J14
Task 3388 of 4096 (3,0,2,1,1,12) R2E-M1-N13-J14
Task 3389 of 4096 (3,0,2,1,1,13) R2E-M1-N13-J14
Task 3390 of 4096 (3,0,2,1,1,14) R2E-M1-N13-J14
Task 3391 of 4096 (3,0,2,1,1,15) R2E-M1-N13-J14
Task 3392 of 4096 (3,0,2,2,0,0) R2E-M1-N15-J09
Task 3393 of 4096 (3,0,2,2,0,1) R2E-M1-N15-J09
Task 3394 of 4096 (3,0,2,2,0,2) R2E-M1-N15-J09
Task 3395 of 4096 (3,0,2,2,0,3) R2E-M1-N15-J09
Task 3396 of 4096 (3,0,2,2,0,4) R2E-M1-N15-J09
Task 3397 of 4096 (3,0,2,2,0,5) R2E-M1-N15-J09
Task 3398 of 4096 (3,0,2,2,0,6) R2E-M1-N15-J09
Task 3399 of 4096 (3,0,2,2,0,7) R2E-M1-N15-J09
Task 3400 of 4096 (3,0,2,2,0,8) R2E-M1-N15-J09
Task 3401 of 4096 (3,0,2,2,0,9) R2E-M1-N15-J09
Task 3402 of 4096 (3,0,2,2,0,10) R2E-M1-N15-J09
Task 3403 of 4096 (3,0,2,2,0,11) R2E-M1-N15-J09
Task 3404 of 4096 (3,0,2,2,0,12) R2E-M1-N15-J09
Task 3405 of 4096 (3,0,2,2,0,13) R2E-M1-N15-J09
Task 3406 of 4096 (3,0,2,2,0,14) R2E-M1-N15-J09
Task 3407 of 4096 (3,0,2,2,0,15) R2E-M1-N15-J09
Task 3408 of 4096 (3,0,2,2,1,0) R2E-M1-N15-J14
Task 3409 of 4096 (3,0,2,2,1,1) R2E-M1-N15-J14
Task 3410 of 4096 (3,0,2,2,1,2) R2E-M1-N15-J14
Task 3411 of 4096 (3,0,2,2,1,3) R2E-M1-N15-J14
Task 3412 of 4096 (3,0,2,2,1,4) R2E-M1-N15-J14
Task 3413 of 4096 (3,0,2,2,1,5) R2E-M1-N15-J14
Task 3414 of 4096 (3,0,2,2,1,6) R2E-M1-N15-J14
Task 3415 of 4096 (3,0,2,2,1,7) R2E-M1-N15-J14
Task 3416 of 4096 (3,0,2,2,1,8) R2E-M1-N15-J14
Task 3417 of 4096 (3,0,2,2,1,9) R2E-M1-N15-J14
Task 3418 of 4096 (3,0,2,2,1,10) R2E-M1-N15-J14
Task 3419 of 4096 (3,0,2,2,1,11) R2E-M1-N15-J14
Task 3420 of 4096 (3,0,2,2,1,12) R2E-M1-N15-J14
Task 3421 of 4096 (3,0,2,2,1,13) R2E-M1-N15-J14
Task 3422 of 4096 (3,0,2,2,1,14) R2E-M1-N15-J14
Task 3423 of 4096 (3,0,2,2,1,15) R2E-M1-N15-J14
Task 3424 of 4096 (3,0,2,3,0,0) R2E-M1-N15-J05
Task 3425 of 4096 (3,0,2,3,0,1) R2E-M1-N15-J05
Task 3426 of 4096 (3,0,2,3,0,2) R2E-M1-N15-J05
Task 3427 of 4096 (3,0,2,3,0,3) R2E-M1-N15-J05
Task 3428 of 4096 (3,0,2,3,0,4) R2E-M1-N15-J05
Task 3429 of 4096 (3,0,2,3,0,5) R2E-M1-N15-J05
Task 3430 of 4096 (3,0,2,3,0,6) R2E-M1-N15-J05
Task 3431 of 4096 (3,0,2,3,0,7) R2E-M1-N15-J05
Task 3432 of 4096 (3,0,2,3,0,8) R2E-M1-N15-J05
Task 3433 of 4096 (3,0,2,3,0,9) R2E-M1-N15-J05
Task 3434 of 4096 (3,0,2,3,0,10) R2E-M1-N15-J05
Task 3435 of 4096 (3,0,2,3,0,11) R2E-M1-N15-J05
Task 3436 of 4096 (3,0,2,3,0,12) R2E-M1-N15-J05
Task 3437 of 4096 (3,0,2,3,0,13) R2E-M1-N15-J05
Task 3438 of 4096 (3,0,2,3,0,14) R2E-M1-N15-J05
Task 3439 of 4096 (3,0,2,3,0,15) R2E-M1-N15-J05
Task 3440 of 4096 (3,0,2,3,1,0) R2E-M1-N15-J02
Task 3441 of 4096 (3,0,2,3,1,1) R2E-M1-N15-J02
Task 3442 of 4096 (3,0,2,3,1,2) R2E-M1-N15-J02
Task 3443 of 4096 (3,0,2,3,1,3) R2E-M1-N15-J02
Task 3444 of 4096 (3,0,2,3,1,4) R2E-M1-N15-J02
Task 3445 of 4096 (3,0,2,3,1,5) R2E-M1-N15-J02
Task 3446 of 4096 (3,0,2,3,1,6) R2E-M1-N15-J02
Task 3447 of 4096 (3,0,2,3,1,7) R2E-M1-N15-J02
Task 3448 of 4096 (3,0,2,3,1,8) R2E-M1-N15-J02
Task 3449 of 4096 (3,0,2,3,1,9) R2E-M1-N15-J02
Task 3450 of 4096 (3,0,2,3,1,10) R2E-M1-N15-J02
Task 3451 of 4096 (3,0,2,3,1,11) R2E-M1-N15-J02
Task 3452 of 4096 (3,0,2,3,1,12) R2E-M1-N15-J02
Task 3453 of 4096 (3,0,2,3,1,13) R2E-M1-N15-J02
Task 3454 of 4096 (3,0,2,3,1,14) R2E-M1-N15-J02
Task 3455 of 4096 (3,0,2,3,1,15) R2E-M1-N15-J02
Task 3456 of 4096 (3,0,3,0,0,0) R2E-M1-N13-J04
Task 3457 of 4096 (3,0,3,0,0,1) R2E-M1-N13-J04
Task 3458 of 4096 (3,0,3,0,0,2) R2E-M1-N13-J04
Task 3459 of 4096 (3,0,3,0,0,3) R2E-M1-N13-J04
Task 3460 of 4096 (3,0,3,0,0,4) R2E-M1-N13-J04
Task 3461 of 4096 (3,0,3,0,0,5) R2E-M1-N13-J04
Task 3462 of 4096 (3,0,3,0,0,6) R2E-M1-N13-J04
Task 3463 of 4096 (3,0,3,0,0,7) R2E-M1-N13-J04
Task 3464 of 4096 (3,0,3,0,0,8) R2E-M1-N13-J04
Task 3465 of 4096 (3,0,3,0,0,9) R2E-M1-N13-J04
Task 3466 of 4096 (3,0,3,0,0,10) R2E-M1-N13-J04
Task 3467 of 4096 (3,0,3,0,0,11) R2E-M1-N13-J04
Task 3468 of 4096 (3,0,3,0,0,12) R2E-M1-N13-J04
Task 3469 of 4096 (3,0,3,0,0,13) R2E-M1-N13-J04
Task 3470 of 4096 (3,0,3,0,0,14) R2E-M1-N13-J04
Task 3471 of 4096 (3,0,3,0,0,15) R2E-M1-N13-J04
Task 3472 of 4096 (3,0,3,0,1,0) R2E-M1-N13-J03
Task 3473 of 4096 (3,0,3,0,1,1) R2E-M1-N13-J03
Task 3474 of 4096 (3,0,3,0,1,2) R2E-M1-N13-J03
Task 3475 of 4096 (3,0,3,0,1,3) R2E-M1-N13-J03
Task 3476 of 4096 (3,0,3,0,1,4) R2E-M1-N13-J03
Task 3477 of 4096 (3,0,3,0,1,5) R2E-M1-N13-J03
Task 3478 of 4096 (3,0,3,0,1,6) R2E-M1-N13-J03
Task 3479 of 4096 (3,0,3,0,1,7) R2E-M1-N13-J03
Task 3480 of 4096 (3,0,3,0,1,8) R2E-M1-N13-J03
Task 3481 of 4096 (3,0,3,0,1,9) R2E-M1-N13-J03
Task 3482 of 4096 (3,0,3,0,1,10) R2E-M1-N13-J03
Task 3483 of 4096 (3,0,3,0,1,11) R2E-M1-N13-J03
Task 3484 of 4096 (3,0,3,0,1,12) R2E-M1-N13-J03
Task 3485 of 4096 (3,0,3,0,1,13) R2E-M1-N13-J03
Task 3486 of 4096 (3,0,3,0,1,14) R2E-M1-N13-J03
Task 3487 of 4096 (3,0,3,0,1,15) R2E-M1-N13-J03
Task 3488 of 4096 (3,0,3,1,0,0) R2E-M1-N13-J08
Task 3489 of 4096 (3,0,3,1,0,1) R2E-M1-N13-J08
Task 3490 of 4096 (3,0,3,1,0,2) R2E-M1-N13-J08
Task 3491 of 4096 (3,0,3,1,0,3) R2E-M1-N13-J08
Task 3492 of 4096 (3,0,3,1,0,4) R2E-M1-N13-J08
Task 3493 of 4096 (3,0,3,1,0,5) R2E-M1-N13-J08
Task 3494 of 4096 (3,0,3,1,0,6) R2E-M1-N13-J08
Task 3495 of 4096 (3,0,3,1,0,7) R2E-M1-N13-J08
Task 3496 of 4096 (3,0,3,1,0,8) R2E-M1-N13-J08
Task 3497 of 4096 (3,0,3,1,0,9) R2E-M1-N13-J08
Task 3498 of 4096 (3,0,3,1,0,10) R2E-M1-N13-J08
Task 3499 of 4096 (3,0,3,1,0,11) R2E-M1-N13-J08
Task 3500 of 4096 (3,0,3,1,0,12) R2E-M1-N13-J08
Task 3501 of 4096 (3,0,3,1,0,13) R2E-M1-N13-J08
Task 3502 of 4096 (3,0,3,1,0,14) R2E-M1-N13-J08
Task 3503 of 4096 (3,0,3,1,0,15) R2E-M1-N13-J08
Task 3504 of 4096 (3,0,3,1,1,0) R2E-M1-N13-J15
Task 3505 of 4096 (3,0,3,1,1,1) R2E-M1-N13-J15
Task 3506 of 4096 (3,0,3,1,1,2) R2E-M1-N13-J15
Task 3507 of 4096 (3,0,3,1,1,3) R2E-M1-N13-J15
Task 3508 of 4096 (3,0,3,1,1,4) R2E-M1-N13-J15
Task 3509 of 4096 (3,0,3,1,1,5) R2E-M1-N13-J15
Task 3510 of 4096 (3,0,3,1,1,6) R2E-M1-N13-J15
Task 3511 of 4096 (3,0,3,1,1,7) R2E-M1-N13-J15
Task 3512 of 4096 (3,0,3,1,1,8) R2E-M1-N13-J15
Task 3513 of 4096 (3,0,3,1,1,9) R2E-M1-N13-J15
Task 3514 of 4096 (3,0,3,1,1,10) R2E-M1-N13-J15
Task 3515 of 4096 (3,0,3,1,1,11) R2E-M1-N13-J15
Task 3516 of 4096 (3,0,3,1,1,12) R2E-M1-N13-J15
Task 3517 of 4096 (3,0,3,1,1,13) R2E-M1-N13-J15
Task 3518 of 4096 (3,0,3,1,1,14) R2E-M1-N13-J15
Task 3519 of 4096 (3,0,3,1,1,15) R2E-M1-N13-J15
Task 3520 of 4096 (3,0,3,2,0,0) R2E-M1-N15-J08
Task 3521 of 4096 (3,0,3,2,0,1) R2E-M1-N15-J08
Task 3522 of 4096 (3,0,3,2,0,2) R2E-M1-N15-J08
Task 3523 of 4096 (3,0,3,2,0,3) R2E-M1-N15-J08
Task 3524 of 4096 (3,0,3,2,0,4) R2E-M1-N15-J08
Task 3525 of 4096 (3,0,3,2,0,5) R2E-M1-N15-J08
Task 3526 of 4096 (3,0,3,2,0,6) R2E-M1-N15-J08
Task 3527 of 4096 (3,0,3,2,0,7) R2E-M1-N15-J08
Task 3528 of 4096 (3,0,3,2,0,8) R2E-M1-N15-J08
Task 3529 of 4096 (3,0,3,2,0,9) R2E-M1-N15-J08
Task 3530 of 4096 (3,0,3,2,0,10) R2E-M1-N15-J08
Task 3531 of 4096 (3,0,3,2,0,11) R2E-M1-N15-J08
Task 3532 of 4096 (3,0,3,2,0,12) R2E-M1-N15-J08
Task 3533 of 4096 (3,0,3,2,0,13) R2E-M1-N15-J08
Task 3534 of 4096 (3,0,3,2,0,14) R2E-M1-N15-J08
Task 3535 of 4096 (3,0,3,2,0,15) R2E-M1-N15-J08
Task 3536 of 4096 (3,0,3,2,1,0) R2E-M1-N15-J15
Task 3537 of 4096 (3,0,3,2,1,1) R2E-M1-N15-J15
Task 3538 of 4096 (3,0,3,2,1,2) R2E-M1-N15-J15
Task 3539 of 4096 (3,0,3,2,1,3) R2E-M1-N15-J15
Task 3540 of 4096 (3,0,3,2,1,4) R2E-M1-N15-J15
Task 3541 of 4096 (3,0,3,2,1,5) R2E-M1-N15-J15
Task 3542 of 4096 (3,0,3,2,1,6) R2E-M1-N15-J15
Task 3543 of 4096 (3,0,3,2,1,7) R2E-M1-N15-J15
Task 3544 of 4096 (3,0,3,2,1,8) R2E-M1-N15-J15
Task 3545 of 4096 (3,0,3,2,1,9) R2E-M1-N15-J15
Task 3546 of 4096 (3,0,3,2,1,10) R2E-M1-N15-J15
Task 3547 of 4096 (3,0,3,2,1,11) R2E-M1-N15-J15
Task 3548 of 4096 (3,0,3,2,1,12) R2E-M1-N15-J15
Task 3549 of 4096 (3,0,3,2,1,13) R2E-M1-N15-J15
Task 3550 of 4096 (3,0,3,2,1,14) R2E-M1-N15-J15
Task 3551 of 4096 (3,0,3,2,1,15) R2E-M1-N15-J15
Task 3552 of 4096 (3,0,3,3,0,0) R2E-M1-N15-J04
Task 3553 of 4096 (3,0,3,3,0,1) R2E-M1-N15-J04
Task 3554 of 4096 (3,0,3,3,0,2) R2E-M1-N15-J04
Task 3555 of 4096 (3,0,3,3,0,3) R2E-M1-N15-J04
Task 3556 of 4096 (3,0,3,3,0,4) R2E-M1-N15-J04
Task 3557 of 4096 (3,0,3,3,0,5) R2E-M1-N15-J04
Task 3558 of 4096 (3,0,3,3,0,6) R2E-M1-N15-J04
Task 3559 of 4096 (3,0,3,3,0,7) R2E-M1-N15-J04
Task 3560 of 4096 (3,0,3,3,0,8) R2E-M1-N15-J04
Task 3561 of 4096 (3,0,3,3,0,9) R2E-M1-N15-J04
Task 3562 of 4096 (3,0,3,3,0,10) R2E-M1-N15-J04
Task 3563 of 4096 (3,0,3,3,0,11) R2E-M1-N15-J04
Task 3564 of 4096 (3,0,3,3,0,12) R2E-M1-N15-J04
Task 3565 of 4096 (3,0,3,3,0,13) R2E-M1-N15-J04
Task 3566 of 4096 (3,0,3,3,0,14) R2E-M1-N15-J04
Task 3567 of 4096 (3,0,3,3,0,15) R2E-M1-N15-J04
Task 3568 of 4096 (3,0,3,3,1,0) R2E-M1-N15-J03
Task 3569 of 4096 (3,0,3,3,1,1) R2E-M1-N15-J03
Task 3570 of 4096 (3,0,3,3,1,2) R2E-M1-N15-J03
Task 3571 of 4096 (3,0,3,3,1,3) R2E-M1-N15-J03
Task 3572 of 4096 (3,0,3,3,1,4) R2E-M1-N15-J03
Task 3573 of 4096 (3,0,3,3,1,5) R2E-M1-N15-J03
Task 3574 of 4096 (3,0,3,3,1,6) R2E-M1-N15-J03
Task 3575 of 4096 (3,0,3,3,1,7) R2E-M1-N15-J03
Task 3576 of 4096 (3,0,3,3,1,8) R2E-M1-N15-J03
Task 3577 of 4096 (3,0,3,3,1,9) R2E-M1-N15-J03
Task 3578 of 4096 (3,0,3,3,1,10) R2E-M1-N15-J03
Task 3579 of 4096 (3,0,3,3,1,11) R2E-M1-N15-J03
Task 3580 of 4096 (3,0,3,3,1,12) R2E-M1-N15-J03
Task 3581 of 4096 (3,0,3,3,1,13) R2E-M1-N15-J03
Task 3582 of 4096 (3,0,3,3,1,14) R2E-M1-N15-J03
Task 3583 of 4096 (3,0,3,3,1,15) R2E-M1-N15-J03
Task 3584 of 4096 (3,1,0,0,0,0) R2E-M1-N12-J07
Task 3585 of 4096 (3,1,0,0,0,1) R2E-M1-N12-J07
Task 3586 of 4096 (3,1,0,0,0,2) R2E-M1-N12-J07
Task 3587 of 4096 (3,1,0,0,0,3) R2E-M1-N12-J07
Task 3588 of 4096 (3,1,0,0,0,4) R2E-M1-N12-J07
Task 3589 of 4096 (3,1,0,0,0,5) R2E-M1-N12-J07
Task 3590 of 4096 (3,1,0,0,0,6) R2E-M1-N12-J07
Task 3591 of 4096 (3,1,0,0,0,7) R2E-M1-N12-J07
Task 3592 of 4096 (3,1,0,0,0,8) R2E-M1-N12-J07
Task 3593 of 4096 (3,1,0,0,0,9) R2E-M1-N12-J07
Task 3594 of 4096 (3,1,0,0,0,10) R2E-M1-N12-J07
Task 3595 of 4096 (3,1,0,0,0,11) R2E-M1-N12-J07
Task 3596 of 4096 (3,1,0,0,0,12) R2E-M1-N12-J07
Task 3597 of 4096 (3,1,0,0,0,13) R2E-M1-N12-J07
Task 3598 of 4096 (3,1,0,0,0,14) R2E-M1-N12-J07
Task 3599 of 4096 (3,1,0,0,0,15) R2E-M1-N12-J07
Task 3600 of 4096 (3,1,0,0,1,0) R2E-M1-N12-J00
Task 3601 of 4096 (3,1,0,0,1,1) R2E-M1-N12-J00
Task 3602 of 4096 (3,1,0,0,1,2) R2E-M1-N12-J00
Task 3603 of 4096 (3,1,0,0,1,3) R2E-M1-N12-J00
Task 3604 of 4096 (3,1,0,0,1,4) R2E-M1-N12-J00
Task 3605 of 4096 (3,1,0,0,1,5) R2E-M1-N12-J00
Task 3606 of 4096 (3,1,0,0,1,6) R2E-M1-N12-J00
Task 3607 of 4096 (3,1,0,0,1,7) R2E-M1-N12-J00
Task 3608 of 4096 (3,1,0,0,1,8) R2E-M1-N12-J00
Task 3609 of 4096 (3,1,0,0,1,9) R2E-M1-N12-J00
Task 3610 of 4096 (3,1,0,0,1,10) R2E-M1-N12-J00
Task 3611 of 4096 (3,1,0,0,1,11) R2E-M1-N12-J00
Task 3612 of 4096 (3,1,0,0,1,12) R2E-M1-N12-J00
Task 3613 of 4096 (3,1,0,0,1,13) R2E-M1-N12-J00
Task 3614 of 4096 (3,1,0,0,1,14) R2E-M1-N12-J00
Task 3615 of 4096 (3,1,0,0,1,15) R2E-M1-N12-J00
Task 3616 of 4096 (3,1,0,1,0,0) R2E-M1-N12-J11
Task 3617 of 4096 (3,1,0,1,0,1) R2E-M1-N12-J11
Task 3618 of 4096 (3,1,0,1,0,2) R2E-M1-N12-J11
Task 3619 of 4096 (3,1,0,1,0,3) R2E-M1-N12-J11
Task 3620 of 4096 (3,1,0,1,0,4) R2E-M1-N12-J11
Task 3621 of 4096 (3,1,0,1,0,5) R2E-M1-N12-J11
Task 3622 of 4096 (3,1,0,1,0,6) R2E-M1-N12-J11
Task 3623 of 4096 (3,1,0,1,0,7) R2E-M1-N12-J11
Task 3624 of 4096 (3,1,0,1,0,8) R2E-M1-N12-J11
Task 3625 of 4096 (3,1,0,1,0,9) R2E-M1-N12-J11
Task 3626 of 4096 (3,1,0,1,0,10) R2E-M1-N12-J11
Task 3627 of 4096 (3,1,0,1,0,11) R2E-M1-N12-J11
Task 3628 of 4096 (3,1,0,1,0,12) R2E-M1-N12-J11
Task 3629 of 4096 (3,1,0,1,0,13) R2E-M1-N12-J11
Task 3630 of 4096 (3,1,0,1,0,14) R2E-M1-N12-J11
Task 3631 of 4096 (3,1,0,1,0,15) R2E-M1-N12-J11
Task 3632 of 4096 (3,1,0,1,1,0) R2E-M1-N12-J12
Task 3633 of 4096 (3,1,0,1,1,1) R2E-M1-N12-J12
Task 3634 of 4096 (3,1,0,1,1,2) R2E-M1-N12-J12
Task 3635 of 4096 (3,1,0,1,1,3) R2E-M1-N12-J12
Task 3636 of 4096 (3,1,0,1,1,4) R2E-M1-N12-J12
Task 3637 of 4096 (3,1,0,1,1,5) R2E-M1-N12-J12
Task 3638 of 4096 (3,1,0,1,1,6) R2E-M1-N12-J12
Task 3639 of 4096 (3,1,0,1,1,7) R2E-M1-N12-J12
Task 3640 of 4096 (3,1,0,1,1,8) R2E-M1-N12-J12
Task 3641 of 4096 (3,1,0,1,1,9) R2E-M1-N12-J12
Task 3642 of 4096 (3,1,0,1,1,10) R2E-M1-N12-J12
Task 3643 of 4096 (3,1,0,1,1,11) R2E-M1-N12-J12
Task 3644 of 4096 (3,1,0,1,1,12) R2E-M1-N12-J12
Task 3645 of 4096 (3,1,0,1,1,13) R2E-M1-N12-J12
Task 3646 of 4096 (3,1,0,1,1,14) R2E-M1-N12-J12
Task 3647 of 4096 (3,1,0,1,1,15) R2E-M1-N12-J12
Task 3648 of 4096 (3,1,0,2,0,0) R2E-M1-N14-J11
Task 3649 of 4096 (3,1,0,2,0,1) R2E-M1-N14-J11
Task 3650 of 4096 (3,1,0,2,0,2) R2E-M1-N14-J11
Task 3651 of 4096 (3,1,0,2,0,3) R2E-M1-N14-J11
Task 3652 of 4096 (3,1,0,2,0,4) R2E-M1-N14-J11
Task 3653 of 4096 (3,1,0,2,0,5) R2E-M1-N14-J11
Task 3654 of 4096 (3,1,0,2,0,6) R2E-M1-N14-J11
Task 3655 of 4096 (3,1,0,2,0,7) R2E-M1-N14-J11
Task 3656 of 4096 (3,1,0,2,0,8) R2E-M1-N14-J11
Task 3657 of 4096 (3,1,0,2,0,9) R2E-M1-N14-J11
Task 3658 of 4096 (3,1,0,2,0,10) R2E-M1-N14-J11
Task 3659 of 4096 (3,1,0,2,0,11) R2E-M1-N14-J11
Task 3660 of 4096 (3,1,0,2,0,12) R2E-M1-N14-J11
Task 3661 of 4096 (3,1,0,2,0,13) R2E-M1-N14-J11
Task 3662 of 4096 (3,1,0,2,0,14) R2E-M1-N14-J11
Task 3663 of 4096 (3,1,0,2,0,15) R2E-M1-N14-J11
Task 3664 of 4096 (3,1,0,2,1,0) R2E-M1-N14-J12
Task 3665 of 4096 (3,1,0,2,1,1) R2E-M1-N14-J12
Task 3666 of 4096 (3,1,0,2,1,2) R2E-M1-N14-J12
Task 3667 of 4096 (3,1,0,2,1,3) R2E-M1-N14-J12
Task 3668 of 4096 (3,1,0,2,1,4) R2E-M1-N14-J12
Task 3669 of 4096 (3,1,0,2,1,5) R2E-M1-N14-J12
Task 3670 of 4096 (3,1,0,2,1,6) R2E-M1-N14-J12
Task 3671 of 4096 (3,1,0,2,1,7) R2E-M1-N14-J12
Task 3672 of 4096 (3,1,0,2,1,8) R2E-M1-N14-J12
Task 3673 of 4096 (3,1,0,2,1,9) R2E-M1-N14-J12
Task 3674 of 4096 (3,1,0,2,1,10) R2E-M1-N14-J12
Task 3675 of 4096 (3,1,0,2,1,11) R2E-M1-N14-J12
Task 3676 of 4096 (3,1,0,2,1,12) R2E-M1-N14-J12
Task 3677 of 4096 (3,1,0,2,1,13) R2E-M1-N14-J12
Task 3678 of 4096 (3,1,0,2,1,14) R2E-M1-N14-J12
Task 3679 of 4096 (3,1,0,2,1,15) R2E-M1-N14-J12
Task 3680 of 4096 (3,1,0,3,0,0) R2E-M1-N14-J07
Task 3681 of 4096 (3,1,0,3,0,1) R2E-M1-N14-J07
Task 3682 of 4096 (3,1,0,3,0,2) R2E-M1-N14-J07
Task 3683 of 4096 (3,1,0,3,0,3) R2E-M1-N14-J07
Task 3684 of 4096 (3,1,0,3,0,4) R2E-M1-N14-J07
Task 3685 of 4096 (3,1,0,3,0,5) R2E-M1-N14-J07
Task 3686 of 4096 (3,1,0,3,0,6) R2E-M1-N14-J07
Task 3687 of 4096 (3,1,0,3,0,7) R2E-M1-N14-J07
Task 3688 of 4096 (3,1,0,3,0,8) R2E-M1-N14-J07
Task 3689 of 4096 (3,1,0,3,0,9) R2E-M1-N14-J07
Task 3690 of 4096 (3,1,0,3,0,10) R2E-M1-N14-J07
Task 3691 of 4096 (3,1,0,3,0,11) R2E-M1-N14-J07
Task 3692 of 4096 (3,1,0,3,0,12) R2E-M1-N14-J07
Task 3693 of 4096 (3,1,0,3,0,13) R2E-M1-N14-J07
Task 3694 of 4096 (3,1,0,3,0,14) R2E-M1-N14-J07
Task 3695 of 4096 (3,1,0,3,0,15) R2E-M1-N14-J07
Task 3696 of 4096 (3,1,0,3,1,0) R2E-M1-N14-J00
Task 3697 of 4096 (3,1,0,3,1,1) R2E-M1-N14-J00
Task 3698 of 4096 (3,1,0,3,1,2) R2E-M1-N14-J00
Task 3699 of 4096 (3,1,0,3,1,3) R2E-M1-N14-J00
Task 3700 of 4096 (3,1,0,3,1,4) R2E-M1-N14-J00
Task 3701 of 4096 (3,1,0,3,1,5) R2E-M1-N14-J00
Task 3702 of 4096 (3,1,0,3,1,6) R2E-M1-N14-J00
Task 3703 of 4096 (3,1,0,3,1,7) R2E-M1-N14-J00
Task 3704 of 4096 (3,1,0,3,1,8) R2E-M1-N14-J00
Task 3705 of 4096 (3,1,0,3,1,9) R2E-M1-N14-J00
Task 3706 of 4096 (3,1,0,3,1,10) R2E-M1-N14-J00
Task 3707 of 4096 (3,1,0,3,1,11) R2E-M1-N14-J00
Task 3708 of 4096 (3,1,0,3,1,12) R2E-M1-N14-J00
Task 3709 of 4096 (3,1,0,3,1,13) R2E-M1-N14-J00
Task 3710 of 4096 (3,1,0,3,1,14) R2E-M1-N14-J00
Task 3711 of 4096 (3,1,0,3,1,15) R2E-M1-N14-J00
Task 3712 of 4096 (3,1,1,0,0,0) R2E-M1-N12-J06
Task 3713 of 4096 (3,1,1,0,0,1) R2E-M1-N12-J06
Task 3714 of 4096 (3,1,1,0,0,2) R2E-M1-N12-J06
Task 3715 of 4096 (3,1,1,0,0,3) R2E-M1-N12-J06
Task 3716 of 4096 (3,1,1,0,0,4) R2E-M1-N12-J06
Task 3717 of 4096 (3,1,1,0,0,5) R2E-M1-N12-J06
Task 3718 of 4096 (3,1,1,0,0,6) R2E-M1-N12-J06
Task 3719 of 4096 (3,1,1,0,0,7) R2E-M1-N12-J06
Task 3720 of 4096 (3,1,1,0,0,8) R2E-M1-N12-J06
Task 3721 of 4096 (3,1,1,0,0,9) R2E-M1-N12-J06
Task 3722 of 4096 (3,1,1,0,0,10) R2E-M1-N12-J06
Task 3723 of 4096 (3,1,1,0,0,11) R2E-M1-N12-J06
Task 3724 of 4096 (3,1,1,0,0,12) R2E-M1-N12-J06
Task 3725 of 4096 (3,1,1,0,0,13) R2E-M1-N12-J06
Task 3726 of 4096 (3,1,1,0,0,14) R2E-M1-N12-J06
Task 3727 of 4096 (3,1,1,0,0,15) R2E-M1-N12-J06
Task 3728 of 4096 (3,1,1,0,1,0) R2E-M1-N12-J01
Task 3729 of 4096 (3,1,1,0,1,1) R2E-M1-N12-J01
Task 3730 of 4096 (3,1,1,0,1,2) R2E-M1-N12-J01
Task 3731 of 4096 (3,1,1,0,1,3) R2E-M1-N12-J01
Task 3732 of 4096 (3,1,1,0,1,4) R2E-M1-N12-J01
Task 3733 of 4096 (3,1,1,0,1,5) R2E-M1-N12-J01
Task 3734 of 4096 (3,1,1,0,1,6) R2E-M1-N12-J01
Task 3735 of 4096 (3,1,1,0,1,7) R2E-M1-N12-J01
Task 3736 of 4096 (3,1,1,0,1,8) R2E-M1-N12-J01
Task 3737 of 4096 (3,1,1,0,1,9) R2E-M1-N12-J01
Task 3738 of 4096 (3,1,1,0,1,10) R2E-M1-N12-J01
Task 3739 of 4096 (3,1,1,0,1,11) R2E-M1-N12-J01
Task 3740 of 4096 (3,1,1,0,1,12) R2E-M1-N12-J01
Task 3741 of 4096 (3,1,1,0,1,13) R2E-M1-N12-J01
Task 3742 of 4096 (3,1,1,0,1,14) R2E-M1-N12-J01
Task 3743 of 4096 (3,1,1,0,1,15) R2E-M1-N12-J01
Task 3744 of 4096 (3,1,1,1,0,0) R2E-M1-N12-J10
Task 3745 of 4096 (3,1,1,1,0,1) R2E-M1-N12-J10
Task 3746 of 4096 (3,1,1,1,0,2) R2E-M1-N12-J10
Task 3747 of 4096 (3,1,1,1,0,3) R2E-M1-N12-J10
Task 3748 of 4096 (3,1,1,1,0,4) R2E-M1-N12-J10
Task 3749 of 4096 (3,1,1,1,0,5) R2E-M1-N12-J10
Task 3750 of 4096 (3,1,1,1,0,6) R2E-M1-N12-J10
Task 3751 of 4096 (3,1,1,1,0,7) R2E-M1-N12-J10
Task 3752 of 4096 (3,1,1,1,0,8) R2E-M1-N12-J10
Task 3753 of 4096 (3,1,1,1,0,9) R2E-M1-N12-J10
Task 3754 of 4096 (3,1,1,1,0,10) R2E-M1-N12-J10
Task 3755 of 4096 (3,1,1,1,0,11) R2E-M1-N12-J10
Task 3756 of 4096 (3,1,1,1,0,12) R2E-M1-N12-J10
Task 3757 of 4096 (3,1,1,1,0,13) R2E-M1-N12-J10
Task 3758 of 4096 (3,1,1,1,0,14) R2E-M1-N12-J10
Task 3759 of 4096 (3,1,1,1,0,15) R2E-M1-N12-J10
Task 3760 of 4096 (3,1,1,1,1,0) R2E-M1-N12-J13
Task 3761 of 4096 (3,1,1,1,1,1) R2E-M1-N12-J13
Task 3762 of 4096 (3,1,1,1,1,2) R2E-M1-N12-J13
Task 3763 of 4096 (3,1,1,1,1,3) R2E-M1-N12-J13
Task 3764 of 4096 (3,1,1,1,1,4) R2E-M1-N12-J13
Task 3765 of 4096 (3,1,1,1,1,5) R2E-M1-N12-J13
Task 3766 of 4096 (3,1,1,1,1,6) R2E-M1-N12-J13
Task 3767 of 4096 (3,1,1,1,1,7) R2E-M1-N12-J13
Task 3768 of 4096 (3,1,1,1,1,8) R2E-M1-N12-J13
Task 3769 of 4096 (3,1,1,1,1,9) R2E-M1-N12-J13
Task 3770 of 4096 (3,1,1,1,1,10) R2E-M1-N12-J13
Task 3771 of 4096 (3,1,1,1,1,11) R2E-M1-N12-J13
Task 3772 of 4096 (3,1,1,1,1,12) R2E-M1-N12-J13
Task 3773 of 4096 (3,1,1,1,1,13) R2E-M1-N12-J13
Task 3774 of 4096 (3,1,1,1,1,14) R2E-M1-N12-J13
Task 3775 of 4096 (3,1,1,1,1,15) R2E-M1-N12-J13
Task 3776 of 4096 (3,1,1,2,0,0) R2E-M1-N14-J10
Task 3777 of 4096 (3,1,1,2,0,1) R2E-M1-N14-J10
Task 3778 of 4096 (3,1,1,2,0,2) R2E-M1-N14-J10
Task 3779 of 4096 (3,1,1,2,0,3) R2E-M1-N14-J10
Task 3780 of 4096 (3,1,1,2,0,4) R2E-M1-N14-J10
Task 3781 of 4096 (3,1,1,2,0,5) R2E-M1-N14-J10
Task 3782 of 4096 (3,1,1,2,0,6) R2E-M1-N14-J10
Task 3783 of 4096 (3,1,1,2,0,7) R2E-M1-N14-J10
Task 3784 of 4096 (3,1,1,2,0,8) R2E-M1-N14-J10
Task 3785 of 4096 (3,1,1,2,0,9) R2E-M1-N14-J10
Task 3786 of 4096 (3,1,1,2,0,10) R2E-M1-N14-J10
Task 3787 of 4096 (3,1,1,2,0,11) R2E-M1-N14-J10
Task 3788 of 4096 (3,1,1,2,0,12) R2E-M1-N14-J10
Task 3789 of 4096 (3,1,1,2,0,13) R2E-M1-N14-J10
Task 3790 of 4096 (3,1,1,2,0,14) R2E-M1-N14-J10
Task 3791 of 4096 (3,1,1,2,0,15) R2E-M1-N14-J10
Task 3792 of 4096 (3,1,1,2,1,0) R2E-M1-N14-J13
Task 3793 of 4096 (3,1,1,2,1,1) R2E-M1-N14-J13
Task 3794 of 4096 (3,1,1,2,1,2) R2E-M1-N14-J13
Task 3795 of 4096 (3,1,1,2,1,3) R2E-M1-N14-J13
Task 3796 of 4096 (3,1,1,2,1,4) R2E-M1-N14-J13
Task 3797 of 4096 (3,1,1,2,1,5) R2E-M1-N14-J13
Task 3798 of 4096 (3,1,1,2,1,6) R2E-M1-N14-J13
Task 3799 of 4096 (3,1,1,2,1,7) R2E-M1-N14-J13
Task 3800 of 4096 (3,1,1,2,1,8) R2E-M1-N14-J13
Task 3801 of 4096 (3,1,1,2,1,9) R2E-M1-N14-J13
Task 3802 of 4096 (3,1,1,2,1,10) R2E-M1-N14-J13
Task 3803 of 4096 (3,1,1,2,1,11) R2E-M1-N14-J13
Task 3804 of 4096 (3,1,1,2,1,12) R2E-M1-N14-J13
Task 3805 of 4096 (3,1,1,2,1,13) R2E-M1-N14-J13
Task 3806 of 4096 (3,1,1,2,1,14) R2E-M1-N14-J13
Task 3807 of 4096 (3,1,1,2,1,15) R2E-M1-N14-J13
Task 3808 of 4096 (3,1,1,3,0,0) R2E-M1-N14-J06
Task 3809 of 4096 (3,1,1,3,0,1) R2E-M1-N14-J06
Task 3810 of 4096 (3,1,1,3,0,2) R2E-M1-N14-J06
Task 3811 of 4096 (3,1,1,3,0,3) R2E-M1-N14-J06
Task 3812 of 4096 (3,1,1,3,0,4) R2E-M1-N14-J06
Task 3813 of 4096 (3,1,1,3,0,5) R2E-M1-N14-J06
Task 3814 of 4096 (3,1,1,3,0,6) R2E-M1-N14-J06
Task 3815 of 4096 (3,1,1,3,0,7) R2E-M1-N14-J06
Task 3816 of 4096 (3,1,1,3,0,8) R2E-M1-N14-J06
Task 3817 of 4096 (3,1,1,3,0,9) R2E-M1-N14-J06
Task 3818 of 4096 (3,1,1,3,0,10) R2E-M1-N14-J06
Task 3819 of 4096 (3,1,1,3,0,11) R2E-M1-N14-J06
Task 3820 of 4096 (3,1,1,3,0,12) R2E-M1-N14-J06
Task 3821 of 4096 (3,1,1,3,0,13) R2E-M1-N14-J06
Task 3822 of 4096 (3,1,1,3,0,14) R2E-M1-N14-J06
Task 3823 of 4096 (3,1,1,3,0,15) R2E-M1-N14-J06
Task 3824 of 4096 (3,1,1,3,1,0) R2E-M1-N14-J01
Task 3825 of 4096 (3,1,1,3,1,1) R2E-M1-N14-J01
Task 3826 of 4096 (3,1,1,3,1,2) R2E-M1-N14-J01
Task 3827 of 4096 (3,1,1,3,1,3) R2E-M1-N14-J01
Task 3828 of 4096 (3,1,1,3,1,4) R2E-M1-N14-J01
Task 3829 of 4096 (3,1,1,3,1,5) R2E-M1-N14-J01
Task 3830 of 4096 (3,1,1,3,1,6) R2E-M1-N14-J01
Task 3831 of 4096 (3,1,1,3,1,7) R2E-M1-N14-J01
Task 3832 of 4096 (3,1,1,3,1,8) R2E-M1-N14-J01
Task 3833 of 4096 (3,1,1,3,1,9) R2E-M1-N14-J01
Task 3834 of 4096 (3,1,1,3,1,10) R2E-M1-N14-J01
Task 3835 of 4096 (3,1,1,3,1,11) R2E-M1-N14-J01
Task 3836 of 4096 (3,1,1,3,1,12) R2E-M1-N14-J01
Task 3837 of 4096 (3,1,1,3,1,13) R2E-M1-N14-J01
Task 3838 of 4096 (3,1,1,3,1,14) R2E-M1-N14-J01
Task 3839 of 4096 (3,1,1,3,1,15) R2E-M1-N14-J01
Task 3840 of 4096 (3,1,2,0,0,0) R2E-M1-N13-J06
Task 3841 of 4096 (3,1,2,0,0,1) R2E-M1-N13-J06
Task 3842 of 4096 (3,1,2,0,0,2) R2E-M1-N13-J06
Task 3843 of 4096 (3,1,2,0,0,3) R2E-M1-N13-J06
Task 3844 of 4096 (3,1,2,0,0,4) R2E-M1-N13-J06
Task 3845 of 4096 (3,1,2,0,0,5) R2E-M1-N13-J06
Task 3846 of 4096 (3,1,2,0,0,6) R2E-M1-N13-J06
Task 3847 of 4096 (3,1,2,0,0,7) R2E-M1-N13-J06
Task 3848 of 4096 (3,1,2,0,0,8) R2E-M1-N13-J06
Task 3849 of 4096 (3,1,2,0,0,9) R2E-M1-N13-J06
Task 3850 of 4096 (3,1,2,0,0,10) R2E-M1-N13-J06
Task 3851 of 4096 (3,1,2,0,0,11) R2E-M1-N13-J06
Task 3852 of 4096 (3,1,2,0,0,12) R2E-M1-N13-J06
Task 3853 of 4096 (3,1,2,0,0,13) R2E-M1-N13-J06
Task 3854 of 4096 (3,1,2,0,0,14) R2E-M1-N13-J06
Task 3855 of 4096 (3,1,2,0,0,15) R2E-M1-N13-J06
Task 3856 of 4096 (3,1,2,0,1,0) R2E-M1-N13-J01
Task 3857 of 4096 (3,1,2,0,1,1) R2E-M1-N13-J01
Task 3858 of 4096 (3,1,2,0,1,2) R2E-M1-N13-J01
Task 3859 of 4096 (3,1,2,0,1,3) R2E-M1-N13-J01
Task 3860 of 4096 (3,1,2,0,1,4) R2E-M1-N13-J01
Task 3861 of 4096 (3,1,2,0,1,5) R2E-M1-N13-J01
Task 3862 of 4096 (3,1,2,0,1,6) R2E-M1-N13-J01
Task 3863 of 4096 (3,1,2,0,1,7) R2E-M1-N13-J01
Task 3864 of 4096 (3,1,2,0,1,8) R2E-M1-N13-J01
Task 3865 of 4096 (3,1,2,0,1,9) R2E-M1-N13-J01
Task 3866 of 4096 (3,1,2,0,1,10) R2E-M1-N13-J01
Task 3867 of 4096 (3,1,2,0,1,11) R2E-M1-N13-J01
Task 3868 of 4096 (3,1,2,0,1,12) R2E-M1-N13-J01
Task 3869 of 4096 (3,1,2,0,1,13) R2E-M1-N13-J01
Task 3870 of 4096 (3,1,2,0,1,14) R2E-M1-N13-J01
Task 3871 of 4096 (3,1,2,0,1,15) R2E-M1-N13-J01
Task 3872 of 4096 (3,1,2,1,0,0) R2E-M1-N13-J10
Task 3873 of 4096 (3,1,2,1,0,1) R2E-M1-N13-J10
Task 3874 of 4096 (3,1,2,1,0,2) R2E-M1-N13-J10
Task 3875 of 4096 (3,1,2,1,0,3) R2E-M1-N13-J10
Task 3876 of 4096 (3,1,2,1,0,4) R2E-M1-N13-J10
Task 3877 of 4096 (3,1,2,1,0,5) R2E-M1-N13-J10
Task 3878 of 4096 (3,1,2,1,0,6) R2E-M1-N13-J10
Task 3879 of 4096 (3,1,2,1,0,7) R2E-M1-N13-J10
Task 3880 of 4096 (3,1,2,1,0,8) R2E-M1-N13-J10
Task 3881 of 4096 (3,1,2,1,0,9) R2E-M1-N13-J10
Task 3882 of 4096 (3,1,2,1,0,10) R2E-M1-N13-J10
Task 3883 of 4096 (3,1,2,1,0,11) R2E-M1-N13-J10
Task 3884 of 4096 (3,1,2,1,0,12) R2E-M1-N13-J10
Task 3885 of 4096 (3,1,2,1,0,13) R2E-M1-N13-J10
Task 3886 of 4096 (3,1,2,1,0,14) R2E-M1-N13-J10
Task 3887 of 4096 (3,1,2,1,0,15) R2E-M1-N13-J10
Task 3888 of 4096 (3,1,2,1,1,0) R2E-M1-N13-J13
Task 3889 of 4096 (3,1,2,1,1,1) R2E-M1-N13-J13
Task 3890 of 4096 (3,1,2,1,1,2) R2E-M1-N13-J13
Task 3891 of 4096 (3,1,2,1,1,3) R2E-M1-N13-J13
Task 3892 of 4096 (3,1,2,1,1,4) R2E-M1-N13-J13
Task 3893 of 4096 (3,1,2,1,1,5) R2E-M1-N13-J13
Task 3894 of 4096 (3,1,2,1,1,6) R2E-M1-N13-J13
Task 3895 of 4096 (3,1,2,1,1,7) R2E-M1-N13-J13
Task 3896 of 4096 (3,1,2,1,1,8) R2E-M1-N13-J13
Task 3897 of 4096 (3,1,2,1,1,9) R2E-M1-N13-J13
Task 3898 of 4096 (3,1,2,1,1,10) R2E-M1-N13-J13
Task 3899 of 4096 (3,1,2,1,1,11) R2E-M1-N13-J13
Task 3900 of 4096 (3,1,2,1,1,12) R2E-M1-N13-J13
Task 3901 of 4096 (3,1,2,1,1,13) R2E-M1-N13-J13
Task 3902 of 4096 (3,1,2,1,1,14) R2E-M1-N13-J13
Task 3903 of 4096 (3,1,2,1,1,15) R2E-M1-N13-J13
Task 3904 of 4096 (3,1,2,2,0,0) R2E-M1-N15-J10
Task 3905 of 4096 (3,1,2,2,0,1) R2E-M1-N15-J10
Task 3906 of 4096 (3,1,2,2,0,2) R2E-M1-N15-J10
Task 3907 of 4096 (3,1,2,2,0,3) R2E-M1-N15-J10
Task 3908 of 4096 (3,1,2,2,0,4) R2E-M1-N15-J10
Task 3909 of 4096 (3,1,2,2,0,5) R2E-M1-N15-J10
Task 3910 of 4096 (3,1,2,2,0,6) R2E-M1-N15-J10
Task 3911 of 4096 (3,1,2,2,0,7) R2E-M1-N15-J10
Task 3912 of 4096 (3,1,2,2,0,8) R2E-M1-N15-J10
Task 3913 of 4096 (3,1,2,2,0,9) R2E-M1-N15-J10
Task 3914 of 4096 (3,1,2,2,0,10) R2E-M1-N15-J10
Task 3915 of 4096 (3,1,2,2,0,11) R2E-M1-N15-J10
Task 3916 of 4096 (3,1,2,2,0,12) R2E-M1-N15-J10
Task 3917 of 4096 (3,1,2,2,0,13) R2E-M1-N15-J10
Task 3918 of 4096 (3,1,2,2,0,14) R2E-M1-N15-J10
Task 3919 of 4096 (3,1,2,2,0,15) R2E-M1-N15-J10
Task 3920 of 4096 (3,1,2,2,1,0) R2E-M1-N15-J13
Task 3921 of 4096 (3,1,2,2,1,1) R2E-M1-N15-J13
Task 3922 of 4096 (3,1,2,2,1,2) R2E-M1-N15-J13
Task 3923 of 4096 (3,1,2,2,1,3) R2E-M1-N15-J13
Task 3924 of 4096 (3,1,2,2,1,4) R2E-M1-N15-J13
Task 3925 of 4096 (3,1,2,2,1,5) R2E-M1-N15-J13
Task 3926 of 4096 (3,1,2,2,1,6) R2E-M1-N15-J13
Task 3927 of 4096 (3,1,2,2,1,7) R2E-M1-N15-J13
Task 3928 of 4096 (3,1,2,2,1,8) R2E-M1-N15-J13
Task 3929 of 4096 (3,1,2,2,1,9) R2E-M1-N15-J13
Task 3930 of 4096 (3,1,2,2,1,10) R2E-M1-N15-J13
Task 3931 of 4096 (3,1,2,2,1,11) R2E-M1-N15-J13
Task 3932 of 4096 (3,1,2,2,1,12) R2E-M1-N15-J13
Task 3933 of 4096 (3,1,2,2,1,13) R2E-M1-N15-J13
Task 3934 of 4096 (3,1,2,2,1,14) R2E-M1-N15-J13
Task 3935 of 4096 (3,1,2,2,1,15) R2E-M1-N15-J13
Task 3936 of 4096 (3,1,2,3,0,0) R2E-M1-N15-J06
Task 3937 of 4096 (3,1,2,3,0,1) R2E-M1-N15-J06
Task 3938 of 4096 (3,1,2,3,0,2) R2E-M1-N15-J06
Task 3939 of 4096 (3,1,2,3,0,3) R2E-M1-N15-J06
Task 3940 of 4096 (3,1,2,3,0,4) R2E-M1-N15-J06
Task 3941 of 4096 (3,1,2,3,0,5) R2E-M1-N15-J06
Task 3942 of 4096 (3,1,2,3,0,6) R2E-M1-N15-J06
Task 3943 of 4096 (3,1,2,3,0,7) R2E-M1-N15-J06
Task 3944 of 4096 (3,1,2,3,0,8) R2E-M1-N15-J06
Task 3945 of 4096 (3,1,2,3,0,9) R2E-M1-N15-J06
Task 3946 of 4096 (3,1,2,3,0,10) R2E-M1-N15-J06
Task 3947 of 4096 (3,1,2,3,0,11) R2E-M1-N15-J06
Task 3948 of 4096 (3,1,2,3,0,12) R2E-M1-N15-J06
Task 3949 of 4096 (3,1,2,3,0,13) R2E-M1-N15-J06
Task 3950 of 4096 (3,1,2,3,0,14) R2E-M1-N15-J06
Task 3951 of 4096 (3,1,2,3,0,15) R2E-M1-N15-J06
Task 3952 of 4096 (3,1,2,3,1,0) R2E-M1-N15-J01
Task 3953 of 4096 (3,1,2,3,1,1) R2E-M1-N15-J01
Task 3954 of 4096 (3,1,2,3,1,2) R2E-M1-N15-J01
Task 3955 of 4096 (3,1,2,3,1,3) R2E-M1-N15-J01
Task 3956 of 4096 (3,1,2,3,1,4) R2E-M1-N15-J01
Task 3957 of 4096 (3,1,2,3,1,5) R2E-M1-N15-J01
Task 3958 of 4096 (3,1,2,3,1,6) R2E-M1-N15-J01
Task 3959 of 4096 (3,1,2,3,1,7) R2E-M1-N15-J01
Task 3960 of 4096 (3,1,2,3,1,8) R2E-M1-N15-J01
Task 3961 of 4096 (3,1,2,3,1,9) R2E-M1-N15-J01
Task 3962 of 4096 (3,1,2,3,1,10) R2E-M1-N15-J01
Task 3963 of 4096 (3,1,2,3,1,11) R2E-M1-N15-J01
Task 3964 of 4096 (3,1,2,3,1,12) R2E-M1-N15-J01
Task 3965 of 4096 (3,1,2,3,1,13) R2E-M1-N15-J01
Task 3966 of 4096 (3,1,2,3,1,14) R2E-M1-N15-J01
Task 3967 of 4096 (3,1,2,3,1,15) R2E-M1-N15-J01
Task 3968 of 4096 (3,1,3,0,0,0) R2E-M1-N13-J07
Task 3969 of 4096 (3,1,3,0,0,1) R2E-M1-N13-J07
Task 3970 of 4096 (3,1,3,0,0,2) R2E-M1-N13-J07
Task 3971 of 4096 (3,1,3,0,0,3) R2E-M1-N13-J07
Task 3972 of 4096 (3,1,3,0,0,4) R2E-M1-N13-J07
Task 3973 of 4096 (3,1,3,0,0,5) R2E-M1-N13-J07
Task 3974 of 4096 (3,1,3,0,0,6) R2E-M1-N13-J07
Task 3975 of 4096 (3,1,3,0,0,7) R2E-M1-N13-J07
Task 3976 of 4096 (3,1,3,0,0,8) R2E-M1-N13-J07
Task 3977 of 4096 (3,1,3,0,0,9) R2E-M1-N13-J07
Task 3978 of 4096 (3,1,3,0,0,10) R2E-M1-N13-J07
Task 3979 of 4096 (3,1,3,0,0,11) R2E-M1-N13-J07
Task 3980 of 4096 (3,1,3,0,0,12) R2E-M1-N13-J07
Task 3981 of 4096 (3,1,3,0,0,13) R2E-M1-N13-J07
Task 3982 of 4096 (3,1,3,0,0,14) R2E-M1-N13-J07
Task 3983 of 4096 (3,1,3,0,0,15) R2E-M1-N13-J07
Task 3984 of 4096 (3,1,3,0,1,0) R2E-M1-N13-J00
Task 3985 of 4096 (3,1,3,0,1,1) R2E-M1-N13-J00
Task 3986 of 4096 (3,1,3,0,1,2) R2E-M1-N13-J00
Task 3987 of 4096 (3,1,3,0,1,3) R2E-M1-N13-J00
Task 3988 of 4096 (3,1,3,0,1,4) R2E-M1-N13-J00
Task 3989 of 4096 (3,1,3,0,1,5) R2E-M1-N13-J00
Task 3990 of 4096 (3,1,3,0,1,6) R2E-M1-N13-J00
Task 3991 of 4096 (3,1,3,0,1,7) R2E-M1-N13-J00
Task 3992 of 4096 (3,1,3,0,1,8) R2E-M1-N13-J00
Task 3993 of 4096 (3,1,3,0,1,9) R2E-M1-N13-J00
Task 3994 of 4096 (3,1,3,0,1,10) R2E-M1-N13-J00
Task 3995 of 4096 (3,1,3,0,1,11) R2E-M1-N13-J00
Task 3996 of 4096 (3,1,3,0,1,12) R2E-M1-N13-J00
Task 3997 of 4096 (3,1,3,0,1,13) R2E-M1-N13-J00
Task 3998 of 4096 (3,1,3,0,1,14) R2E-M1-N13-J00
Task 3999 of 4096 (3,1,3,0,1,15) R2E-M1-N13-J00
Task 4000 of 4096 (3,1,3,1,0,0) R2E-M1-N13-J11
Task 4001 of 4096 (3,1,3,1,0,1) R2E-M1-N13-J11
Task 4002 of 4096 (3,1,3,1,0,2) R2E-M1-N13-J11
Task 4003 of 4096 (3,1,3,1,0,3) R2E-M1-N13-J11
Task 4004 of 4096 (3,1,3,1,0,4) R2E-M1-N13-J11
Task 4005 of 4096 (3,1,3,1,0,5) R2E-M1-N13-J11
Task 4006 of 4096 (3,1,3,1,0,6) R2E-M1-N13-J11
Task 4007 of 4096 (3,1,3,1,0,7) R2E-M1-N13-J11
Task 4008 of 4096 (3,1,3,1,0,8) R2E-M1-N13-J11
Task 4009 of 4096 (3,1,3,1,0,9) R2E-M1-N13-J11
Task 4010 of 4096 (3,1,3,1,0,10) R2E-M1-N13-J11
Task 4011 of 4096 (3,1,3,1,0,11) R2E-M1-N13-J11
Task 4012 of 4096 (3,1,3,1,0,12) R2E-M1-N13-J11
Task 4013 of 4096 (3,1,3,1,0,13) R2E-M1-N13-J11
Task 4014 of 4096 (3,1,3,1,0,14) R2E-M1-N13-J11
Task 4015 of 4096 (3,1,3,1,0,15) R2E-M1-N13-J11
Task 4016 of 4096 (3,1,3,1,1,0) R2E-M1-N13-J12
Task 4017 of 4096 (3,1,3,1,1,1) R2E-M1-N13-J12
Task 4018 of 4096 (3,1,3,1,1,2) R2E-M1-N13-J12
Task 4019 of 4096 (3,1,3,1,1,3) R2E-M1-N13-J12
Task 4020 of 4096 (3,1,3,1,1,4) R2E-M1-N13-J12
Task 4021 of 4096 (3,1,3,1,1,5) R2E-M1-N13-J12
Task 4022 of 4096 (3,1,3,1,1,6) R2E-M1-N13-J12
Task 4023 of 4096 (3,1,3,1,1,7) R2E-M1-N13-J12
Task 4024 of 4096 (3,1,3,1,1,8) R2E-M1-N13-J12
Task 4025 of 4096 (3,1,3,1,1,9) R2E-M1-N13-J12
Task 4026 of 4096 (3,1,3,1,1,10) R2E-M1-N13-J12
Task 4027 of 4096 (3,1,3,1,1,11) R2E-M1-N13-J12
Task 4028 of 4096 (3,1,3,1,1,12) R2E-M1-N13-J12
Task 4029 of 4096 (3,1,3,1,1,13) R2E-M1-N13-J12
Task 4030 of 4096 (3,1,3,1,1,14) R2E-M1-N13-J12
Task 4031 of 4096 (3,1,3,1,1,15) R2E-M1-N13-J12
Task 4032 of 4096 (3,1,3,2,0,0) R2E-M1-N15-J11
Task 4033 of 4096 (3,1,3,2,0,1) R2E-M1-N15-J11
Task 4034 of 4096 (3,1,3,2,0,2) R2E-M1-N15-J11
Task 4035 of 4096 (3,1,3,2,0,3) R2E-M1-N15-J11
Task 4036 of 4096 (3,1,3,2,0,4) R2E-M1-N15-J11
Task 4037 of 4096 (3,1,3,2,0,5) R2E-M1-N15-J11
Task 4038 of 4096 (3,1,3,2,0,6) R2E-M1-N15-J11
Task 4039 of 4096 (3,1,3,2,0,7) R2E-M1-N15-J11
Task 4040 of 4096 (3,1,3,2,0,8) R2E-M1-N15-J11
Task 4041 of 4096 (3,1,3,2,0,9) R2E-M1-N15-J11
Task 4042 of 4096 (3,1,3,2,0,10) R2E-M1-N15-J11
Task 4043 of 4096 (3,1,3,2,0,11) R2E-M1-N15-J11
Task 4044 of 4096 (3,1,3,2,0,12) R2E-M1-N15-J11
Task 4045 of 4096 (3,1,3,2,0,13) R2E-M1-N15-J11
Task 4046 of 4096 (3,1,3,2,0,14) R2E-M1-N15-J11
Task 4047 of 4096 (3,1,3,2,0,15) R2E-M1-N15-J11
Task 4048 of 4096 (3,1,3,2,1,0) R2E-M1-N15-J12
Task 4049 of 4096 (3,1,3,2,1,1) R2E-M1-N15-J12
Task 4050 of 4096 (3,1,3,2,1,2) R2E-M1-N15-J12
Task 4051 of 4096 (3,1,3,2,1,3) R2E-M1-N15-J12
Task 4052 of 4096 (3,1,3,2,1,4) R2E-M1-N15-J12
Task 4053 of 4096 (3,1,3,2,1,5) R2E-M1-N15-J12
Task 4054 of 4096 (3,1,3,2,1,6) R2E-M1-N15-J12
Task 4055 of 4096 (3,1,3,2,1,7) R2E-M1-N15-J12
Task 4056 of 4096 (3,1,3,2,1,8) R2E-M1-N15-J12
Task 4057 of 4096 (3,1,3,2,1,9) R2E-M1-N15-J12
Task 4058 of 4096 (3,1,3,2,1,10) R2E-M1-N15-J12
Task 4059 of 4096 (3,1,3,2,1,11) R2E-M1-N15-J12
Task 4060 of 4096 (3,1,3,2,1,12) R2E-M1-N15-J12
Task 4061 of 4096 (3,1,3,2,1,13) R2E-M1-N15-J12
Task 4062 of 4096 (3,1,3,2,1,14) R2E-M1-N15-J12
Task 4063 of 4096 (3,1,3,2,1,15) R2E-M1-N15-J12
Task 4064 of 4096 (3,1,3,3,0,0) R2E-M1-N15-J07
Task 4065 of 4096 (3,1,3,3,0,1) R2E-M1-N15-J07
Task 4066 of 4096 (3,1,3,3,0,2) R2E-M1-N15-J07
Task 4067 of 4096 (3,1,3,3,0,3) R2E-M1-N15-J07
Task 4068 of 4096 (3,1,3,3,0,4) R2E-M1-N15-J07
Task 4069 of 4096 (3,1,3,3,0,5) R2E-M1-N15-J07
Task 4070 of 4096 (3,1,3,3,0,6) R2E-M1-N15-J07
Task 4071 of 4096 (3,1,3,3,0,7) R2E-M1-N15-J07
Task 4072 of 4096 (3,1,3,3,0,8) R2E-M1-N15-J07
Task 4073 of 4096 (3,1,3,3,0,9) R2E-M1-N15-J07
Task 4074 of 4096 (3,1,3,3,0,10) R2E-M1-N15-J07
Task 4075 of 4096 (3,1,3,3,0,11) R2E-M1-N15-J07
Task 4076 of 4096 (3,1,3,3,0,12) R2E-M1-N15-J07
Task 4077 of 4096 (3,1,3,3,0,13) R2E-M1-N15-J07
Task 4078 of 4096 (3,1,3,3,0,14) R2E-M1-N15-J07
Task 4079 of 4096 (3,1,3,3,0,15) R2E-M1-N15-J07
Task 4080 of 4096 (3,1,3,3,1,0) R2E-M1-N15-J00
Task 4081 of 4096 (3,1,3,3,1,1) R2E-M1-N15-J00
Task 4082 of 4096 (3,1,3,3,1,2) R2E-M1-N15-J00
Task 4083 of 4096 (3,1,3,3,1,3) R2E-M1-N15-J00
Task 4084 of 4096 (3,1,3,3,1,4) R2E-M1-N15-J00
Task 4085 of 4096 (3,1,3,3,1,5) R2E-M1-N15-J00
Task 4086 of 4096 (3,1,3,3,1,6) R2E-M1-N15-J00
Task 4087 of 4096 (3,1,3,3,1,7) R2E-M1-N15-J00
Task 4088 of 4096 (3,1,3,3,1,8) R2E-M1-N15-J00
Task 4089 of 4096 (3,1,3,3,1,9) R2E-M1-N15-J00
Task 4090 of 4096 (3,1,3,3,1,10) R2E-M1-N15-J00
Task 4091 of 4096 (3,1,3,3,1,11) R2E-M1-N15-J00
Task 4092 of 4096 (3,1,3,3,1,12) R2E-M1-N15-J00
Task 4093 of 4096 (3,1,3,3,1,13) R2E-M1-N15-J00
Task 4094 of 4096 (3,1,3,3,1,14) R2E-M1-N15-J00
Task 4095 of 4096 (3,1,3,3,1,15) R2E-M1-N15-J00
[qbox] set nrowmax 256
[qbox] load md161.xml
LoadCmd: loading from md161.xml
SampleReader: reading from file md161.xml size: 1595163516
XMLGFPreprocessor: read time: 1.313
XMLGFPreprocessor: local read rate: 0.2828 MB/s aggregate read rate: 1158 MB/s
XMLGFPreprocessor: tag fixing time: 0.02278
XMLGFPreprocessor: segment definition time: 7.167
XMLGFPreprocessor: boundary adjustment time: 1.707
XMLGFPreprocessor: transcoding time: 0.004944
XMLGFPreprocessor: byte swapping time: 0.000576
XMLGFPreprocessor: data redistribution time: 0.129
XMLGFPreprocessor: XML compacting time: 0.01558
XMLGFPreprocessor: total time: 10.46
xmlcontent.size(): 73356
Starting XML parsing
SpeciesHandler: found href in species definition
name=oxygen href=/home/agaiduk/pp/O_HSCV_PBE-1.0.xml
species oxygen:
PSGen-1.6.0 pseudopotential: HSCV O xc=PBE
Generated by PSGen-1.6.0 on 2009-02-15T02:25:11Z
psgen arguments:
-element O -xc PBE -smooth_v -bound l=0:rc=0.8 -bound l=1:rc=0.8
O
8
16
6
1
1
0
0
0.01
Kleinman-Bylander potential
rcps_ = 1.500000
SpeciesHandler: found href in species definition
name=hydrogen href=/home/agaiduk/pp/D_HSCV_PBE-1.0.xml
species hydrogen:
HSCV PBE Deuterium
PSGen-1.6.0 pseudopotential: HSCV H xc=PBE
Generated by PSGen-1.6.0 on 2009-02-15T02:24:50Z
psgen arguments:
-element H -xc PBE -smooth_v -bound l=0:rc=0.5
D
1
2.014000
1
0
0
0
0.000000
0.010000
local potential
rcps_ = 1.500000
SpeciesHandler: found href in species definition
name=sodium href=/home/agaiduk/pp/Na_TM_PBE.xml
species sodium:
TM PBE
Na
11
22.990000
7
2
2
0
0.000000
0.010000
Kleinman-Bylander potential
rcps_ = 1.500000
SpeciesHandler: found href in species definition
name=chlorine href=/home/agaiduk/pp/Cl_HSCV_PBE-1.0.xml
species chlorine:
PSGen-1.6.0 pseudopotential: HSCV Cl xc=PBE
Generated by PSGen-1.6.0 on 2009-02-15T02:25:48Z
psgen arguments:
-element Cl -xc PBE -smooth_v -bound l=0:rc=0.8 -bound l=1:rc=1.0
-scat l=2:rc=1.2
Cl
17
35.452700
7
2
2
0
0.000000
0.010000
Kleinman-Bylander potential
rcps_ = 1.500000
WavefunctionHandler::startElement: wavefunction nspin=1 nel=430 nempty=0
kpoint=0.000000 0.000000 0.000000 weight=1.000000 size=215
WavefunctionHandler::startElement: wavefunction_velocity nspin=1 nel=430 nempty=0
kpoint=0.000000 0.000000 0.000000 weight=1.000000 size=215
XML parsing done
wavefunction was read
wavefunction velocity was read
SampleReader::readSample: grid nx,ny,nz=70 70 70
SampleReader: read time: 12.815627 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: 0.0609738372
ExchangeOperator: pair fraction: ispin=0: 0.1502866414
ExchangeOperator: bisection time: 1.399 s
total exchange = -52.2976601579 (a.u.)
total exchange computation time: 2.8317518234 s
677.68468329
-1081.50389976
89.89628339
-390.54317551
-174.59394334
77.02672979
551.60419304
0.00000000
-931.35771210
4.63111767 -30.79288719 -3.58198867
-0.00015406 -0.00012001 0.00011633
0.00225019 -0.01576376 0.00796938
-12.06452287 2.06105894 -9.48178333
0.00031164 0.00000723 0.00006439
0.01444886 0.00389849 0.00297640
-36.21709452 1.17966086 3.13738224
0.00008145 0.00038662 -0.00009590
0.04429338 0.00989817 -0.01004211
-7.50710140 -3.64423630 2.49916071
0.00000116 0.00014368 0.00015710
-0.00034187 0.00395605 -0.00037058
2.24531850 0.11224946 8.91684536
0.00011158 -0.00013302 0.00000945
-0.01098549 0.01183095 0.02720093
-30.93270390 1.32996655 2.76903241
-0.00021997 0.00012978 -0.00010482
0.01262483 0.01126432 -0.00388755
16.98210672 13.28541037 -17.78090613
-0.00002197 -0.00014591 -0.00047438
0.08280058 0.00472704 0.04041759
-3.44889616 5.28995141 5.55557453
0.00004664 -0.00022888 0.00014488
0.01131630 0.02145413 -0.03224589
5.85840342 17.26925041 -6.98030797
-0.00000428 -0.00014415 0.00013957
0.03276455 -0.00402314 -0.02269360
7.13422153 5.61844968 -21.02628748
0.00015635 0.00004020 0.00015613
-0.01651021 -0.00554902 0.06595595
18.63014808 19.60026888 -5.09562384
-0.00016389 0.00000742 -0.00000647
0.02356843 0.03512286 0.01434888
1.89733581 13.87239054 -21.04156396
0.00004208 0.00009573 -0.00032447
0.00963974 0.01043424 0.00309154
10.28112294 -5.43042787 0.24606996
0.00001704 0.00019300 0.00019609
-0.00889294 0.03616275 0.00031159
-18.42122473 -3.89303570 5.36053152
0.00027987 -0.00018698 -0.00003151
0.00504134 -0.01870122 -0.00215946
-14.12044516 -1.44898223 20.49171468
-0.00024041 -0.00006003 0.00031159
-0.00329065 0.03395254 0.00360472
1.59540934 3.68744160 -3.83509626
0.00002070 -0.00006795 -0.00023054
0.00311022 -0.01190027 -0.01778820
21.31690135 -10.58692606 -4.39296512
-0.00014428 -0.00019813 -0.00023084
0.00578270 0.00853004 -0.02840781
3.04908285 -10.27357631 7.97493473
0.00010216 -0.00016128 -0.00014369
-0.03776948 -0.00231901 0.01898150
-1.84132021 -1.83560013 -19.44459120
-0.00011502 0.00000966 -0.00002487
-0.00751179 0.00980544 0.00180484
-0.13297814 3.49818540 -10.11057663
-0.00042526 0.00021616 -0.00048646
-0.02803922 -0.03513522 -0.00307412
-5.03387406 14.62406827 14.50505008
0.00004955 -0.00001852 -0.00000941
0.01953193 0.00298301 -0.01652046
-5.53461630 2.53746504 -7.39066252
0.00020296 0.00028282 0.00006570
0.01360839 0.00064593 -0.01424705
-9.14845780 0.67569420 -4.18104227
-0.00016936 0.00013290 0.00009009
0.00090169 0.01896799 0.01867158
2.99123720 27.57579960 5.90726365
-0.00012413 -0.00025449 0.00002986
-0.00206001 0.00612262 -0.00986256
10.07758080 -10.56130718 -1.67327109
-0.00008710 -0.00046427 0.00046079
-0.03753876 0.01669167 -0.01669528
-6.79363050 1.00527914 9.19290789
-0.00011963 0.00010316 0.00010504
0.01579942 -0.01458664 -0.00032803
20.49447776 10.83597421 6.99179792
-0.00039654 -0.00013371 -0.00014371
0.03470330 0.01905367 0.02119541
-3.09101598 1.09396332 -23.77237398
0.00012231 -0.00005845 0.00011376
-0.05374604 0.00472194 -0.01438617
-13.99932430 8.73215121 8.49938531
0.00032708 0.00014325 0.00004474
0.01693952 0.02463235 -0.00549279
-13.37831616 6.12420621 -3.28478159
-0.00023020 -0.00023817 0.00001247
-0.01185001 0.02783096 -0.01763796
-2.22465424 -15.34584139 20.61608518
-0.00018440 0.00003357 -0.00002415
0.02556669 -0.00747414 -0.00382283
-6.01441661 7.47317643 -8.24256531
0.00006223 0.00020818 0.00034371
0.01053811 0.00608728 -0.01413935
-19.85531654 30.52244942 1.15575411
0.00024762 -0.00027343 -0.00032891
0.00137591 -0.00487854 0.00067238
9.90283168 3.76764591 7.90317404
-0.00020358 0.00009134 0.00006365
0.03140871 -0.00205430 0.02473709
7.16081314 15.90828601 -11.78331508
0.00006492 0.00018278 0.00015311
0.00235356 0.01959607 0.00740053
13.91932788 5.23583931 -1.16041439
-0.00043327 -0.00023019 0.00002542
-0.03115553 0.02814197 -0.04431688
-5.92258695 11.43218618 -2.19247078
-0.00045295 0.00013741 -0.00024560
0.00634174 -0.00599587 0.03233363
7.95175971 12.86126352 5.13806011
-0.00012624 -0.00033777 0.00023876
0.03943882 -0.06024163 -0.01488033
21.99378901 -12.09323260 -9.71516257
-0.00026247 0.00011640 0.00010526
-0.07080350 0.00265424 -0.00247699
19.95339204 -5.98582620 -1.38650923
-0.00006297 0.00007767 0.00039386
-0.02828899 -0.00099524 -0.01354290
14.60073917 7.96123689 8.68478153
0.00020015 0.00005293 0.00005702
-0.00817944 0.01494390 -0.02178778
3.80153171 -13.81777071 16.32879306
-0.00005954 -0.00002817 0.00014589
-0.00190749 -0.00850677 0.01096900
-2.56894613 -2.46483284 -13.76865746
0.00007233 -0.00007652 0.00010422
0.00045133 -0.00249607 0.02527477
15.50644737 -7.35966603 -13.12606820
0.00009449 -0.00002527 -0.00019532
0.00524019 -0.00710266 0.00824180
9.54548946 -3.55711319 6.77526793
0.00029489 -0.00027842 -0.00019840
-0.04907378 -0.00616437 0.00474248
-19.40197188 1.37911422 24.89903871
0.00015158 0.00002801 0.00002690
0.00267931 0.00863420 -0.00493837
24.42356888 -1.31381781 -7.36972463
-0.00028858 0.00025235 0.00009828
0.02034021 -0.03092790 -0.00972402
11.65296522 -10.39801230 -11.07720133
0.00007587 -0.00022857 -0.00027161
-0.01744296 0.00124813 0.02584436
-9.06140121 -10.89920539 16.40803127
0.00050659 0.00028809 0.00027095
0.01832235 0.00278895 -0.00029543
6.71666593 1.59738559 -27.89698399
0.00024843 -0.00001717 0.00019886
0.00693782 0.00641016 0.01300317
12.66663034 18.87082356 13.08916523
-0.00016018 -0.00022445 -0.00019214
0.03029553 -0.01579427 -0.02296742
26.12772114 7.48430656 -11.08923042
-0.00032817 0.00011569 0.00006042
0.01325599 0.00127392 0.01229065
5.29337185 -29.35461835 -4.51523948
0.00009774 -0.00044965 -0.00057005
-0.00177250 0.00519253 0.00066466
4.16234243 -30.30813752 -1.87547767
0.00062248 0.00075879 -0.00048883
-0.00397155 0.00732493 -0.00309305
-10.29055294 1.64424187 -9.10952698
0.00134838 0.00046174 0.00077075
-0.02147747 0.00444696 -0.00577634
-12.14510813 2.77493853 -11.20285893
0.00018127 0.00009258 0.00025569
0.00304354 -0.00853909 0.00675686
-36.76459304 2.60943829 2.13378076
-0.00052098 -0.00044158 0.00035490
-0.00814489 0.01452168 -0.00117206
-37.65617160 0.32395643 3.64605711
-0.00026957 0.00009912 0.00077177
-0.03906946 -0.02224806 0.01350792
-8.88103288 -4.58429669 1.71885418
0.00093301 0.00095756 -0.00072960
-0.00975888 0.00012001 -0.00537550
-6.35840661 -4.89106496 3.12864362
0.00046375 0.00032580 -0.00034290
0.00547818 -0.00608682 0.00458927
2.44856247 0.04324100 7.15105449
0.00044198 0.00042666 0.00086972
0.00567933 -0.00722638 -0.02715563
1.57000278 1.80571005 9.24815852
-0.00013830 0.00078399 -0.00025360
0.00200707 -0.00905645 0.00522393
-30.31838665 -0.41200808 2.43337261
0.00022981 0.00009340 -0.00048383
-0.01357992 0.00977407 0.00891651
-32.74428188 1.38816841 3.04551953
0.00078681 -0.00072298 -0.00043961
-0.00019250 -0.01753610 -0.00243712
15.51190177 12.48496501 -18.14472602
0.00004316 -0.00047951 -0.00027788
-0.06040038 -0.03850493 -0.01740314
18.17916535 11.98279227 -16.78585650
-0.00027170 0.00042616 -0.00015215
-0.02102794 0.03222139 -0.02355405
-3.01258975 6.92232183 6.32948916
-0.00016717 -0.00030481 -0.00049824
-0.00268916 -0.01104918 -0.00120396
-2.92648010 5.60644498 3.76396225
-0.00019324 -0.00022197 -0.00042158
-0.00782890 -0.00855297 0.02854755
5.92449256 16.30367243 -8.65226017
-0.00069992 -0.00017428 -0.00061758
0.00449731 0.02006521 0.01941112
7.55419802 18.14004970 -6.96741541
-0.00115096 -0.00023690 -0.00033264
-0.03253309 -0.01472756 0.00054335
7.58415645 6.01226454 -22.64159422
0.00047145 -0.00049224 -0.00046671
0.00540709 -0.00497664 -0.07826312
8.53308162 6.54865913 -20.31476555
0.00046634 0.00065485 -0.00115906
0.00447896 0.00721543 0.02637466
19.13903532 21.16518345 -4.04844474
0.00074760 0.00027316 -0.00039020
-0.01784094 -0.02997826 -0.00537660
20.02532453 19.75506588 -6.25965335
-0.00108399 0.00012955 -0.00037839
0.00295481 -0.00914255 -0.01040165
2.32451688 12.12914841 -20.63457662
-0.00112940 0.00039516 0.00049995
-0.01886153 0.00312703 -0.00030722
0.09494591 14.30383466 -21.08341616
0.00022394 0.00021502 -0.00069511
0.01437365 -0.01327881 -0.00294371
10.94521401 -6.51880783 -1.04901670
-0.00028740 -0.00033312 0.00071592
-0.00564790 -0.00177555 -0.00590580
9.50411938 -3.79270703 -0.55459049
0.00080297 -0.00003534 -0.00000739
0.01675367 -0.04299848 0.00602350
-18.66470127 -4.72458957 6.97768624
0.00091488 -0.00065336 -0.00084421
-0.00097649 0.00249120 -0.00385978
-18.92679532 -5.18247417 4.12436698
0.00069977 -0.00031136 0.00031888
0.00043524 0.01092512 0.00650790
-14.64441228 -0.20360187 19.15013178
0.00043246 0.00114033 -0.00023584
0.00430627 -0.01659567 0.00352028
-14.10013056 -0.40063440 22.04432638
0.00021944 -0.00000929 -0.00019154
-0.00121652 -0.01198697 -0.00952569
1.78160211 3.52029718 -2.05806316
-0.00128385 0.00038838 -0.00017653
0.00363607 -0.00899969 0.01526965
1.93405001 1.97329651 -4.52689205
0.00037990 0.00026022 -0.00076858
-0.00594138 0.02346647 0.00483437
21.57467917 -10.59426999 -6.32505135
0.00051529 -0.00030110 0.00002081
0.00429892 0.00826357 0.05559701
22.60730952 -9.60196463 -3.44637791
0.00052842 -0.00001025 0.00053850
-0.01200638 -0.00839335 -0.02736048
4.63676207 -10.39242998 7.24150879
-0.00036361 0.00018619 -0.00056254
0.03898157 0.00274006 -0.02207308
2.96935869 -11.71906175 9.11979312
-0.00021406 -0.00062722 -0.00009908
-0.00021476 0.00354047 0.00228146
-1.97889519 -3.32096716 -20.50403074
0.00011984 -0.00034654 -0.00084379
-0.00266244 -0.00033420 -0.00394395
-3.44663515 -1.65951724 -18.57520691
0.00038623 0.00034105 -0.00062269
0.00911333 -0.00627698 -0.00059040
0.56902117 5.12275364 -9.96573458
-0.00003588 -0.00072796 0.00054092
0.00049185 0.02599536 0.00175867
-1.98058384 3.47911763 -9.82832162
0.00133444 -0.00049482 0.00107246
0.02826193 0.01326744 -0.00038840
-3.53645884 14.48910298 15.53690740
-0.00102284 0.00163078 0.00009244
-0.00035328 -0.00082819 0.00006891
-6.38716431 14.41162424 15.64914664
0.00035313 0.00096925 -0.00008770
-0.01822885 -0.00209928 0.00914425
-6.66550992 1.76559719 -6.21597941
-0.00053252 0.00085925 0.00006335
-0.01160013 -0.01316034 0.01126141
-5.18478980 1.22636542 -8.61892869
0.00103116 0.00038854 0.00085154
-0.00552476 0.00595078 0.00136293
-10.35507082 -0.51067249 -3.38247566
0.00060061 -0.00005271 -0.00009549
0.01398577 0.02241308 -0.00473525
-8.97797746 2.32538755 -3.19584437
-0.00089650 -0.00065019 0.00051813
-0.01257276 -0.03275295 -0.00733161
2.38125547 29.04625810 4.95872224
0.00131325 0.00037618 -0.00001005
0.00427552 -0.00601311 0.01584879
3.46595430 28.01919180 7.61623903
-0.00030858 -0.00026774 -0.00156335
-0.00614782 0.00522986 -0.00369286
8.28942599 -9.97108393 -1.42559288
-0.00059007 -0.00088032 0.00049441
0.03343488 -0.01057824 -0.00379860
10.71683735 -11.30819121 -0.11844879
0.00117147 0.00063507 -0.00000623
-0.00512829 -0.00083102 0.00674883
-5.35255159 -0.14599181 8.93666813
0.00102946 -0.00028468 -0.00001879
0.00749919 0.01217561 -0.00526638
-8.00528010 -0.32163198 9.37706172
-0.00015254 0.00034852 -0.00028374
-0.02177216 0.00083838 0.00239705
20.58694337 10.92741162 8.87028345
-0.00000126 0.00074827 0.00066951
-0.00948603 -0.00722612 -0.02026293
22.25471282 11.65777183 6.71645738
0.00080956 0.00004961 -0.00070048
-0.02883651 -0.01944316 -0.00159048
-2.77721802 0.78072172 -21.99191361
-0.00052202 -0.00021380 -0.00183653
-0.00130514 -0.01056902 -0.00195058
-5.02022577 1.01132390 -24.02478295
-0.00002251 0.00001968 -0.00055847
0.04969202 0.00375413 0.01306531
-12.72136408 9.39106723 9.69567679
0.00054285 0.00057255 0.00060227
-0.00692083 -0.00346387 -0.00366265
-13.90068952 10.10694351 7.19316847
0.00107721 -0.00060141 -0.00039428
-0.00816956 -0.01997395 0.01365707
-13.73344623 5.11232340 -4.78587284
-0.00041843 -0.00003646 -0.00005280
-0.00364264 0.00184487 0.01036284
-14.48371320 7.64470649 -3.44801449
0.00021738 0.00047941 0.00000041
0.02166220 -0.02111878 -0.00735473
-3.95606095 -15.54176301 20.24366414
0.00008104 -0.00027269 -0.00053280
-0.02513426 -0.00245306 -0.00077696
-1.45296529 -16.51702667 19.40037887
-0.00012124 -0.00061439 -0.00005975
-0.00295424 0.00402227 0.00663451
-6.29559544 5.70641493 -7.76272964
0.00080380 0.00068085 0.00096816
-0.00034442 0.00963146 0.00133692
-7.04121327 8.70873645 -7.36243998
-0.00093426 -0.00103681 0.00076388
-0.00738708 -0.00676343 0.00680354
-21.16180425 29.97127853 -0.04860526
-0.00079585 -0.00092546 0.00006093
0.01024669 -0.00029905 0.01405768
-18.50452727 29.26482512 1.41328809
0.00097621 0.00045473 0.00023179
-0.00947117 0.00749778 -0.01244266
9.07031133 3.06238065 6.53609460
0.00123393 -0.00038849 0.00026202
-0.02311131 -0.02975879 -0.03500103
9.20300462 5.40379553 8.01066403
-0.00003553 -0.00044052 0.00010836
-0.00895278 0.03431138 0.00357632
8.46635824 17.20853629 -12.14224363
-0.00062999 0.00067582 -0.00017084
-0.01341331 -0.01779658 -0.00113209
8.04954121 14.34335037 -11.59576771
0.00073992 0.00110310 -0.00057916
0.00902936 -0.00691961 -0.00447131
12.20083764 6.06157062 -1.51736806
-0.00034778 0.00002082 0.00013978
0.04053572 -0.02183387 0.01199748
13.85751468 4.38394136 0.40569555
0.00050070 -0.00043445 -0.00019249
-0.00739993 -0.01412438 0.02291798
-4.13156521 11.11308564 -2.15844105
-0.00035569 0.00005806 0.00146688
0.01485302 0.00113811 -0.01683871
-6.45057427 10.36702862 -0.78081890
-0.00069196 0.00002921 0.00075197
-0.01003652 0.00756771 -0.00676441
7.30032771 14.28404268 4.34177026
-0.00019460 0.00003108 0.00062426
-0.01091979 0.02988831 -0.01916449
9.10590109 11.88004470 3.82485791
0.00019301 -0.00010515 -0.00012627
-0.02790960 0.02779523 0.03501941
20.32253567 -12.74537880 -9.00260902
-0.00028063 -0.00057560 0.00031175
0.03791918 0.00733570 -0.01214768
23.32011354 -12.45188421 -8.58522552
0.00031367 0.00064611 0.00006906
0.01795802 -0.01342457 0.01880070
19.68595380 -4.84940743 -2.87881412
0.00038016 -0.00026555 -0.00008119
0.00641107 -0.00012703 0.01299068
18.37158576 -6.96732711 -1.53362123
-0.00077197 -0.00004633 -0.00013465
0.01704790 0.00590582 0.00973618
13.60538220 9.48067440 8.42257776
0.00051355 0.00049809 0.00037290
0.00484500 -0.00930131 -0.00063815
14.89710304 8.01387239 10.45231959
0.00009742 -0.00034909 0.00051765
0.00905251 -0.00593019 0.02812025
2.94302506 -15.00621815 17.43328778
0.00044841 0.00036001 -0.00032595
-0.00330838 -0.01724814 -0.01397015
4.07452622 -12.51918346 17.55383504
-0.00062753 0.00064372 -0.00020440
0.00505258 0.02664286 -0.00376766
-2.77076482 -3.96049066 -12.67795571
-0.00005582 0.00032506 -0.00016920
0.00204107 0.01712469 -0.01283756
-1.17169730 -1.45422135 -13.03204526
-0.00012829 0.00103242 0.00018867
-0.00466922 -0.01296446 -0.01146273
16.15700488 -8.00263754 -14.82025977
-0.00026151 0.00049667 -0.00029558
-0.00070650 0.00922723 0.02623991
16.51234719 -7.84420386 -11.60647195
0.00014280 -0.00084991 -0.00008474
-0.00845536 0.00297823 -0.02680840
7.73912626 -4.06142066 6.30949490
-0.00047630 0.00006055 0.00087677
0.03938207 0.01498934 0.00707760
10.49019276 -3.77142222 5.26856225
0.00051069 -0.00051079 -0.00008451
0.01022395 -0.00303174 -0.01333785
-21.16405374 1.03658750 25.07420026
-0.00102254 0.00015328 0.00025683
-0.00949218 -0.01526062 -0.00173983
-19.26127676 2.94634363 25.83452515
0.00021310 -0.00011993 -0.00030683
0.00632894 0.00328425 0.00632537
25.50002804 -2.92020437 -7.22278512
-0.00027364 -0.00009260 -0.00072919
-0.01420640 0.02862063 0.00639727
24.57081282 -1.05166864 -9.18737585
-0.00135963 -0.00060132 -0.00046785
-0.00670376 0.00844846 0.00354545
11.80918647 -10.04095500 -9.23079604
-0.00088879 0.00036123 -0.00061166
0.00613398 -0.00780276 -0.02130607
12.66357048 -9.17000051 -11.97609240
0.00040110 -0.00063619 -0.00067855
0.01078475 0.00924650 -0.00162356
-7.70168086 -10.60000081 17.73179486
-0.00034295 0.00006019 -0.00025244
-0.01382211 -0.00756292 -0.01780194
-10.36550324 -11.52022141 17.51078673
0.00069369 0.00026179 0.00075312
-0.01292825 0.00310668 0.00313094
7.91886350 2.00998646 -29.20703554
-0.00046902 0.00041577 -0.00043615
0.02021482 -0.00168928 -0.01132056
5.45369371 0.79221073 -28.88897425
0.00018603 -0.00032147 -0.00026884
-0.02365445 -0.01077483 -0.00304507
14.45691047 19.15671646 13.63305626
0.00000755 0.00024975 -0.00076212
-0.03035611 -0.01055917 -0.00741007
12.81089609 17.76777057 11.53803746
0.00073783 0.00035368 0.00016332
0.00307044 0.02193657 0.03096308
27.80836392 7.71329702 -11.82717810
0.00044670 -0.00017385 0.00050808
-0.00022178 0.00211485 -0.00321891
26.44795566 7.73487032 -9.26519347
-0.00048018 -0.00010311 -0.00023179
-0.00506314 -0.00450691 -0.01131409
-7.96890902 4.61899703 6.07352912
0.00011798 0.00019671 0.00002967
0.00343517 -0.00868058 0.00301346
-10.51728426 9.21134667 2.88714029
0.00008747 -0.00003773 0.00004548
0.00801840 -0.00661743 0.01054502
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.07714959
0.28056251
373.83548050
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0608284884
ExchangeOperator: pair fraction: ispin=0: 0.1504164413
ExchangeOperator: bisection time: 1.428 s
total exchange = -52.3017942897 (a.u.)
total exchange computation time: 2.9471271038 s
-153.9619237966
-931.35578971
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0608284884
ExchangeOperator: pair fraction: ispin=0: 0.1504164413
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.3019922847 (a.u.)
total exchange computation time: 2.9468421936 s
-153.9610893863
Anderson extrapolation: theta=1.3498062163 (1.3498062163)
-931.35603413
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0608284884
ExchangeOperator: pair fraction: ispin=0: 0.1504164413
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3022159361 (a.u.)
total exchange computation time: 2.9457001686 s
-153.9602725197
Anderson extrapolation: theta=0.0556394720 (0.0556394720)
-931.35618174
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0608284884
ExchangeOperator: pair fraction: ispin=0: 0.1504164413
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.3021864934 (a.u.)
total exchange computation time: 2.9510419369 s
-153.9605668666
Anderson extrapolation: theta=2.0520861106 (2.0000000000)
-931.35618807
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0608284884
ExchangeOperator: pair fraction: ispin=0: 0.1504164413
ExchangeOperator: bisection time: 1.422 s
total exchange = -52.3021066326 (a.u.)
total exchange computation time: 2.9474301338 s
-153.9612548007
Anderson extrapolation: theta=0.2744272787 (0.2744272787)
-931.35619548
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0608284884
ExchangeOperator: pair fraction: ispin=0: 0.1504164413
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.3020764943 (a.u.)
total exchange computation time: 2.9453558922 s
-153.9614432116
Anderson extrapolation: theta=1.6438627148 (1.6438627148)
-931.35619709
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0608284884
ExchangeOperator: pair fraction: ispin=0: 0.1504164413
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.3020365566 (a.u.)
total exchange computation time: 2.9476928711 s
-153.9616234890
Anderson extrapolation: theta=0.3249981032 (0.3249981032)
-931.35619880
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0608284884
ExchangeOperator: pair fraction: ispin=0: 0.1504164413
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.3020349264 (a.u.)
total exchange computation time: 2.9469301701 s
-153.9615543545
Anderson extrapolation: theta=1.1319782009 (1.1319782009)
-931.35619920
-114.456825 72.320313 -212.499657
562.975886 1075.083692 -404.166379
448.519061 1147.404005 -616.666036
1377.672783
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0608284884
ExchangeOperator: pair fraction: ispin=0: 0.1504164413
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3020423058 (a.u.)
total exchange computation time: 2.9493701458 s
677.75112981
-1081.65036882
89.89408354
-390.44351202
-174.60548961
77.10790386
551.60419304
0.00000000
-931.35619940
4.62881547 -30.79474822 -3.58021293
-0.00015249 -0.00012802 0.00011934
0.00383010 -0.01537961 0.00373792
-12.05979260 2.06118249 -9.48080605
0.00032053 0.00000879 0.00006662
0.02014704 0.00215014 0.00571583
-36.21570194 1.18549828 3.13590502
0.00010287 0.00038965 -0.00009974
0.03902349 0.00189535 -0.00488453
-7.50708527 -3.64206577 2.50151572
0.00000198 0.00014649 0.00015747
0.00352230 0.00696764 0.00181055
2.24694978 0.11029978 8.91709200
0.00010509 -0.00012536 0.00002549
-0.01424863 0.01794154 0.03516387
-30.93595475 1.33195667 2.76744507
-0.00021132 0.00013502 -0.00010723
0.02102353 0.00912213 -0.00548764
16.98209649 13.28323997 -17.78786587
0.00001975 -0.00014343 -0.00045393
0.07945043 0.00490957 0.03907296
-3.44815295 5.28660100 5.55762328
0.00005243 -0.00021836 0.00012731
0.01121394 0.01942760 -0.03605115
5.85846562 17.26707269 -6.97830195
0.00001084 -0.00014733 0.00012714
0.02601249 -0.00834745 -0.02564543
7.13650304 5.61903127 -21.02369115
0.00014846 0.00003808 0.00018824
-0.01416051 -0.00269193 0.05892846
18.62778067 19.60051566 -5.09566548
-0.00015221 0.00002569 0.00000154
0.02183078 0.03593035 0.01678201
1.89800412 13.87386667 -21.04641907
0.00004697 0.00010152 -0.00032294
0.00940109 0.01210517 0.00283699
10.28134424 -5.42739334 0.24901252
0.00001267 0.00021136 0.00019660
-0.00809188 0.03523249 0.00167055
-18.41700729 -3.89591248 5.36005054
0.00028273 -0.00019595 -0.00003323
0.00608858 -0.01621235 -0.00454605
-14.12406399 -1.44975173 20.49640247
-0.00024238 -0.00004197 0.00031188
-0.00438767 0.03629544 -0.00249158
1.59573186 3.68637645 -3.83862292
0.00002222 -0.00007373 -0.00023999
0.00277930 -0.01055905 -0.01898385
21.31475953 -10.58986514 -4.39653728
-0.00014022 -0.00019297 -0.00024432
0.00996938 0.01155444 -0.02400304
3.05046951 -10.27600440 7.97285258
0.00008209 -0.00016288 -0.00013336
-0.04026372 -0.00392453 0.02117568
-1.84307447 -1.83541736 -19.44495731
-0.00011765 0.00001344 -0.00002546
-0.00272180 0.00488584 -0.00407835
-0.13946522 3.50129233 -10.11788544
-0.00043753 0.00019688 -0.00048867
-0.01966140 -0.03984464 -0.00550095
-5.03305547 14.62380202 14.50484518
0.00005863 -0.00001679 -0.00001927
0.01576789 0.00374484 -0.02181689
-5.53151942 2.54170977 -7.38973199
0.00020950 0.00028358 0.00005943
0.01181226 0.00234249 -0.01014766
-9.15099473 0.67776087 -4.17961891
-0.00016852 0.00014254 0.00009921
0.00236454 0.01849975 0.01679075
2.98936737 27.57200584 5.90767346
-0.00012602 -0.00025177 0.00002198
-0.00532099 0.00447332 -0.02076078
10.07612953 -10.56820691 -1.66642368
-0.00010694 -0.00045526 0.00045143
-0.03963692 0.01834583 -0.01967921
-6.79536398 1.00677031 9.19448229
-0.00010978 0.00009499 0.00010458
0.02251253 -0.01719268 -0.00148996
20.48866346 10.83404213 6.98972399
-0.00037750 -0.00012329 -0.00013184
0.03935969 0.02143541 0.02499121
-3.08938865 1.09310485 -23.77072305
0.00009380 -0.00005534 0.00010248
-0.05711790 0.00735612 -0.02950206
-13.99435278 8.73439502 8.50003516
0.00033646 0.00015585 0.00004283
0.01955105 0.02435525 -0.00193715
-13.38181481 6.12074101 -3.28466261
-0.00023641 -0.00022342 0.00000342
-0.01232408 0.02953840 -0.01755133
-2.22732163 -15.34536661 20.61570814
-0.00017083 0.00002915 -0.00002661
0.02722135 -0.00973544 -0.00573872
-6.01344252 7.47632256 -8.23746416
0.00006756 0.00021180 0.00033650
0.01017508 0.00799178 -0.01392752
-19.85159690 30.51832913 1.15082307
0.00024761 -0.00027608 -0.00032907
-0.00143293 -0.00543043 -0.00129382
9.89989920 3.76900810 7.90422419
-0.00018629 0.00008991 0.00007757
0.03582336 -0.00350159 0.02937971
7.16179608 15.91110331 -11.78098983
0.00006549 0.00019368 0.00015682
-0.00013745 0.02278551 0.00701068
13.91270863 5.23249500 -1.16020401
-0.00044905 -0.00021567 0.00000245
-0.03019291 0.02831384 -0.04502900
-5.92935672 11.43422418 -2.19603008
-0.00044957 0.00013330 -0.00022741
0.00681096 -0.00998153 0.03839324
7.95001820 12.85596453 5.14158415
-0.00010610 -0.00036828 0.00023068
0.03890428 -0.05839952 -0.01656106
21.98957885 -12.09147634 -9.71359324
-0.00029847 0.00011742 0.00010457
-0.06919855 0.00130879 -0.00021329
19.95233837 -5.98466495 -1.38065358
-0.00007846 0.00007669 0.00038662
-0.03195157 -0.00281568 -0.01460491
14.60370993 7.96208843 8.68555274
0.00019604 0.00006086 0.00004684
-0.00782164 0.01590790 -0.01777410
3.80063121 -13.81822601 16.33102375
-0.00005973 -0.00003125 0.00015087
0.00117292 -0.00347848 0.00840711
-2.56785950 -2.46599027 -13.76699671
0.00007305 -0.00007651 0.00011685
0.00238265 0.00254134 0.02386575
15.50788501 -7.36007251 -13.12896616
0.00009724 -0.00002896 -0.00019046
0.00544532 -0.00722910 0.01062525
9.54972354 -3.56131327 6.77231016
0.00026944 -0.00028156 -0.00019579
-0.04988441 -0.00602801 0.00543296
-19.39968783 1.37956771 24.89942320
0.00015054 0.00003149 0.00002433
-0.00672161 0.00489303 -0.00508504
24.41931869 -1.31015185 -7.36828787
-0.00027793 0.00023623 0.00009245
0.02105932 -0.03176846 -0.01298253
11.65403599 -10.40143607 -11.08117577
0.00006692 -0.00022787 -0.00025893
-0.01737241 0.00149001 0.02345447
-9.05373163 -10.89487322 16.41209445
0.00051460 0.00028909 0.00027025
0.01281617 0.00110021 -0.00243411
6.72041913 1.59715283 -27.89395093
0.00025136 -0.00001426 0.00020467
0.00447604 0.00488813 0.00960411
12.66434453 18.86739591 13.08619457
-0.00014434 -0.00023209 -0.00020330
0.03130412 -0.01393630 -0.02042954
26.12284974 7.48604685 -11.08827670
-0.00032056 0.00011636 0.00006588
0.01632850 0.00133285 0.00891951
5.29478362 -29.36120394 -4.52376986
0.00008970 -0.00043055 -0.00056636
-0.00216049 0.00415439 0.00114281
4.17155788 -30.29653126 -1.88290491
0.00060415 0.00078988 -0.00049396
-0.00500068 0.00789457 0.00058264
-10.27098545 1.65130421 -9.09814271
0.00124770 0.00048300 0.00074341
-0.02780197 0.00595908 -0.00760678
-12.14229582 2.77606550 -11.19881649
0.00019465 0.00005839 0.00028132
0.00350429 -0.00819383 0.00578995
-36.77265739 2.60325965 2.13906832
-0.00055636 -0.00037428 0.00034481
-0.00917302 0.01841770 -0.00376736
-37.66141243 0.32476150 3.65804765
-0.00041557 0.00001561 0.00082241
-0.03239504 -0.01863193 0.01127848
-8.86733677 -4.56992958 1.70774543
0.00088607 0.00095187 -0.00075517
-0.01321859 -0.00290580 -0.00713964
-6.35128245 -4.88636452 3.12364071
0.00048537 0.00030079 -0.00032466
0.00510333 -0.00615360 0.00433963
2.45536621 0.04941950 7.16326820
0.00046729 0.00039579 0.00074373
0.00671133 -0.00788784 -0.03451887
1.56798984 1.81719233 9.24451457
-0.00012588 0.00073600 -0.00023321
0.00406959 -0.01443457 0.00475845
-30.31535570 -0.41030764 2.42638836
0.00017412 0.00013608 -0.00044654
-0.01367815 0.01111816 0.00933975
-32.73248570 1.37678631 3.03885071
0.00076949 -0.00079279 -0.00044708
-0.00828122 -0.01663517 -0.00122085
15.51069833 12.47659250 -18.14942747
-0.00019903 -0.00063442 -0.00034755
-0.05815353 -0.03732425 -0.01670202
18.17444554 11.99017198 -16.78886053
-0.00035541 0.00055525 -0.00024721
-0.01995243 0.03097300 -0.02297924
-3.01517971 6.91741104 6.32197872
-0.00017665 -0.00034464 -0.00049999
-0.00195167 -0.00844613 0.00034670
-2.92961855 5.60285340 3.75851326
-0.00022632 -0.00025793 -0.00030026
-0.00836506 -0.00904964 0.03084211
5.91413151 16.30167303 -8.66092900
-0.00068045 -0.00008956 -0.00053301
0.00503374 0.02140914 0.02198403
7.53593677 18.13604491 -6.97238843
-0.00127119 -0.00029104 -0.00033003
-0.02632328 -0.01177578 0.00073466
7.59139386 6.00472841 -22.65099305
0.00048858 -0.00051743 -0.00077328
0.00297700 -0.00735337 -0.07180837
8.54021400 6.55870305 -20.33134329
0.00048401 0.00068367 -0.00105011
0.00416822 0.00688902 0.02696090
19.14970256 21.16836221 -4.05446254
0.00067312 0.00014914 -0.00041192
-0.01861636 -0.03073143 -0.00525594
20.00915529 19.75672895 -6.26564801
-0.00106673 0.00009182 -0.00042593
0.00549422 -0.00932603 -0.01286947
2.30699783 12.13517168 -20.62708674
-0.00120352 0.00040286 0.00049915
-0.01741969 0.00064121 -0.00008352
0.09874542 14.30665312 -21.09393303
0.00028022 0.00016246 -0.00070697
0.01317472 -0.01245219 -0.00286317
10.94072991 -6.52385907 -1.03845894
-0.00030970 -0.00034174 0.00068992
-0.00526542 -0.00244102 -0.00681798
9.51667733 -3.79455476 -0.55451682
0.00086882 -0.00020764 0.00001603
0.01548184 -0.04134502 0.00544039
-18.65100802 -4.73431356 6.96490483
0.00090958 -0.00064627 -0.00085056
-0.00161707 0.00097608 0.00074992
-18.91628542 -5.18680985 4.12934956
0.00070045 -0.00026865 0.00034117
-0.00010065 0.00998597 0.00440397
-14.63779341 -0.18700546 19.14670210
0.00045234 0.00106505 -0.00021478
0.00542375 -0.02025438 0.00678640
-14.09687624 -0.40114113 22.04116142
0.00021420 -0.00005580 -0.00022538
-0.00134948 -0.01077701 -0.00704105
1.76245579 3.52584703 -2.06024321
-0.00126843 0.00034989 -0.00011345
0.00391216 -0.00983979 0.01560718
1.93956647 1.97791886 -4.53827268
0.00035587 0.00035472 -0.00074703
-0.00582149 0.02279420 0.00571630
21.58254024 -10.59853330 -6.32303554
0.00053203 -0.00026701 0.00024511
0.00389422 0.00842412 0.05419899
22.61486795 -9.60237557 -3.43913881
0.00047165 -0.00005065 0.00042102
-0.01578556 -0.01138516 -0.03014491
4.63250241 -10.38955314 7.23239423
-0.00020095 0.00019612 -0.00065367
0.04064069 0.00212105 -0.02253465
2.96614125 -11.72836153 9.11837680
-0.00021340 -0.00060860 -0.00009348
0.00053663 0.00557444 0.00045869
-1.97717913 -3.32617552 -20.51680839
0.00010913 -0.00033873 -0.00085274
-0.00258167 0.00415893 -0.00043875
-3.44056244 -1.65459391 -18.58456543
0.00041355 0.00031580 -0.00062025
0.00426040 -0.00608215 0.00178851
0.56849803 5.11263075 -9.95756692
-0.00002970 -0.00061251 0.00054992
0.00253174 0.03052198 0.00264732
-1.95970120 3.47210193 -9.81224659
0.00142857 -0.00044012 0.00107378
0.01781673 0.01350848 0.00103148
-3.55181231 14.51353935 15.53829606
-0.00101061 0.00162615 0.00010010
0.00633990 -0.00143883 0.00368194
-6.38242602 14.42609865 15.64811135
0.00027282 0.00096017 -0.00004712
-0.02108331 -0.00234745 0.01071935
-6.67385320 1.77808267 -6.21468407
-0.00057674 0.00080680 0.00010577
-0.01004719 -0.01251374 0.00950230
-5.16949175 1.23237594 -8.60611385
0.00100928 0.00040746 0.00085285
-0.00518480 0.00330976 -0.00071883
-10.34563310 -0.51077633 -3.38405313
0.00065306 0.00003392 -0.00011276
0.01168816 0.01999311 -0.00372024
-8.99181020 2.31463103 -3.18829703
-0.00094620 -0.00077829 0.00049002
-0.01175687 -0.02995301 -0.00642809
2.40108528 29.05171655 4.95905709
0.00133001 0.00035009 0.00005344
0.00392481 -0.00675728 0.01523127
3.46113720 28.01533602 7.59267562
-0.00032620 -0.00024132 -0.00155479
-0.00247481 0.00770054 0.00788373
8.28159944 -9.98461287 -1.41829311
-0.00044985 -0.00092448 0.00047944
0.03520568 -0.01103853 -0.00353053
10.73425229 -11.29869065 -0.11833547
0.00115089 0.00062955 0.00002628
-0.00494678 -0.00187099 0.00916480
-5.33687983 -0.14988894 8.93622492
0.00104699 -0.00022725 -0.00003801
0.00107912 0.01593704 -0.00414166
-8.00823540 -0.31637856 9.37287911
-0.00024203 0.00034927 -0.00027402
-0.02203055 -0.00046969 0.00235905
20.58663376 10.93841419 8.87970516
-0.00003985 0.00071801 0.00057632
-0.00940450 -0.00758445 -0.02535276
22.26597255 11.65792025 6.70590141
0.00068295 -0.00003393 -0.00070365
-0.03314089 -0.02145038 0.00004011
-2.78508836 0.77719090 -22.01952139
-0.00052183 -0.00026181 -0.00181405
0.00140154 -0.01293362 0.01295489
-5.01904077 1.01173407 -24.03275969
0.00018188 0.00003498 -0.00050475
0.05036043 0.00373767 0.01323484
-12.71343348 9.39954932 9.70459863
0.00050924 0.00055589 0.00058171
-0.00952908 -0.00468887 -0.00640075
-13.88478171 10.09731036 7.18767283
0.00104335 -0.00068075 -0.00033959
-0.00840729 -0.01886702 0.01311282
-13.73983437 5.11183307 -4.78634733
-0.00043356 -0.00002925 -0.00001089
-0.00376243 0.00168333 0.01015375
-14.47978864 7.65125043 -3.44823373
0.00030721 0.00039026 -0.00002937
0.02231050 -0.02251762 -0.00722442
-3.95561558 -15.54592860 20.23564832
-0.00002338 -0.00028209 -0.00053581
-0.02597708 -0.00214631 -0.00069805
-1.45487439 -16.52611922 19.39968588
-0.00013482 -0.00059373 -0.00002894
-0.00369502 0.00609020 0.00844853
-6.28354902 5.71692281 -7.74816623
0.00080236 0.00071429 0.00097331
-0.00036161 0.00673543 0.00118242
-7.05545353 8.69297709 -7.35077334
-0.00096350 -0.00106151 0.00079126
-0.00692401 -0.00532760 0.00659914
-21.17342800 29.95738743 -0.04726049
-0.00074659 -0.00092465 0.00012373
0.01386402 0.00069536 0.01668378
-18.49017432 29.27187587 1.41638362
0.00093594 0.00048466 0.00017947
-0.01024278 0.00715197 -0.01316694
9.08811201 3.05564138 6.53895241
0.00113471 -0.00051368 0.00011017
-0.02545402 -0.03152084 -0.03933060
9.20219735 5.39823913 8.01239904
-0.00007650 -0.00029266 0.00012249
-0.01110453 0.03806925 0.00334036
8.45649733 17.21812823 -12.14484098
-0.00068336 0.00060461 -0.00017534
-0.01271024 -0.01705984 -0.00106685
8.06091671 14.35968485 -11.60459208
0.00078040 0.00106689 -0.00059661
0.01078780 -0.01080735 -0.00407396
12.19686302 6.06121380 -1.51490367
-0.00018304 -0.00006883 0.00018956
0.04010903 -0.02204974 0.01236748
13.86479837 4.37699183 0.40351047
0.00046936 -0.00049211 -0.00009781
-0.00793961 -0.01409959 0.02342665
-4.13644548 11.11399140 -2.13695381
-0.00029741 0.00006367 0.00139700
0.01367663 0.00160633 -0.01736983
-6.46126125 10.36769869 -0.76974667
-0.00073046 0.00006715 0.00071486
-0.00881094 0.01100302 -0.01140063
7.29707403 14.28542475 4.35054689
-0.00023696 0.00014939 0.00054805
-0.00981453 0.02802414 -0.01813933
9.10794102 11.87931923 3.82403695
0.00007795 0.00000881 0.00001769
-0.02841408 0.02798766 0.03545182
20.31948815 -12.75378800 -8.99830497
-0.00012356 -0.00054409 0.00026158
0.03896876 0.00808823 -0.01241370
23.32536891 -12.44260389 -8.58361351
0.00038172 0.00059245 0.00014158
0.01535142 -0.01284355 0.01669675
19.69185269 -4.85339456 -2.87963397
0.00040652 -0.00026656 -0.00002691
0.00649252 -0.00036939 0.01358150
18.36052865 -6.96784111 -1.53534268
-0.00069495 -0.00001788 -0.00009384
0.02065383 0.00801993 0.01024344
13.61323397 9.48786067 8.42815173
0.00053433 0.00045805 0.00037051
0.00532473 -0.01029643 -0.00053182
14.89884172 8.00845434 10.46094597
0.00013298 -0.00037358 0.00062421
0.00835646 -0.00605773 0.02404492
2.94964990 -15.00134658 17.42797042
0.00042960 0.00028252 -0.00037547
-0.00589923 -0.02068159 -0.01026827
4.06526811 -12.50871121 17.55065361
-0.00060772 0.00074953 -0.00022158
0.00464373 0.02514921 -0.00464284
-2.77153952 -3.95508999 -12.68088702
-0.00004750 0.00038953 -0.00021688
0.00202854 0.01443442 -0.01050363
-1.17376479 -1.43913232 -13.02956645
-0.00015116 0.00097486 0.00013994
-0.00652180 -0.01521319 -0.01239077
16.15306051 -7.99490475 -14.82388934
-0.00026315 0.00053283 -0.00019018
-0.00009317 0.00847517 0.02535297
16.51423003 -7.85686131 -11.60856455
0.00010666 -0.00083631 -0.00019722
-0.00923213 0.00367901 -0.02825062
7.73318859 -4.06005314 6.32286334
-0.00031109 0.00012208 0.00090317
0.04148987 0.01513036 0.00584256
10.49816639 -3.77917697 5.26688593
0.00054966 -0.00052364 -0.00013828
0.00885188 -0.00325733 -0.01298664
-21.17968278 1.03841909 25.07799944
-0.00104241 0.00009470 0.00024803
-0.00023123 -0.01341626 -0.00257046
-19.25788628 2.94464534 25.83011646
0.00023906 -0.00010303 -0.00027916
0.00637741 0.00498609 0.00722407
25.49548813 -2.92071629 -7.23352700
-0.00033221 0.00002545 -0.00070110
-0.01446687 0.02916489 0.00735695
24.55021295 -1.06042961 -9.19428491
-0.00138726 -0.00056624 -0.00044843
-0.00682275 0.00872714 0.00595906
11.79604265 -10.03577572 -9.24062382
-0.00086252 0.00033033 -0.00069515
0.00672322 -0.00732212 -0.01956346
12.66991743 -9.17926000 -11.98632038
0.00044401 -0.00059909 -0.00068353
0.01022108 0.00891367 -0.00081704
-7.70724862 -10.59932974 17.72746269
-0.00039073 0.00003178 -0.00031966
-0.00956713 -0.00634152 -0.01510015
-10.35549400 -11.51619937 17.52217948
0.00064178 0.00027538 0.00076332
-0.01248578 0.00354364 0.00186184
7.91244760 2.01617118 -29.21392471
-0.00038614 0.00040885 -0.00048059
0.02035717 -0.00169362 -0.01043272
5.45575926 0.78705854 -28.89310015
0.00009433 -0.00036249 -0.00027598
-0.02123042 -0.00930661 -0.00044948
14.45609352 19.16013912 13.62139740
-0.00011683 0.00020743 -0.00079084
-0.03053082 -0.01015611 -0.00664915
12.82205768 17.77374803 11.54143609
0.00074862 0.00043842 0.00028310
0.00221124 0.01954487 0.02766791
27.81505760 7.71075403 -11.81965555
0.00043918 -0.00016608 0.00049642
-0.00345812 0.00168962 -0.00249064
26.44059777 7.73318559 -9.26901698
-0.00050053 -0.00012060 -0.00027313
-0.00489885 -0.00405699 -0.00892524
-7.96713009 4.62192444 6.07398221
0.00011919 0.00019360 0.00003075
0.00332324 -0.00872252 0.00303145
-10.51595825 9.21076922 2.88784085
0.00008936 -0.00003925 0.00004795
0.00828882 -0.00649428 0.01069656
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.07733869
0.27886071
371.56791965
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0608284884
ExchangeOperator: pair fraction: ispin=0: 0.1504164413
ExchangeOperator: bisection time: 1.514 s
total exchange = -52.3074320652 (a.u.)
total exchange computation time: 2.9466049671 s
-153.9797403306
-931.35517206
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0608284884
ExchangeOperator: pair fraction: ispin=0: 0.1504164413
ExchangeOperator: bisection time: 1.518 s
total exchange = -52.3075944798 (a.u.)
total exchange computation time: 2.9474511147 s
-153.9793022731
Anderson extrapolation: theta=1.3506061609 (1.3506061609)
-931.35541417
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0608284884
ExchangeOperator: pair fraction: ispin=0: 0.1504164413
ExchangeOperator: bisection time: 1.515 s
total exchange = -52.3077827823 (a.u.)
total exchange computation time: 2.9490590096 s
-153.9789554129
Anderson extrapolation: theta=0.0541502483 (0.0541502483)
-931.35555995
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0608284884
ExchangeOperator: pair fraction: ispin=0: 0.1504164413
ExchangeOperator: bisection time: 1.514 s
total exchange = -52.3077629497 (a.u.)
total exchange computation time: 2.9474489689 s
-153.9792171672
Anderson extrapolation: theta=2.0417365102 (2.0000000000)
-931.35556607
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0608284884
ExchangeOperator: pair fraction: ispin=0: 0.1504164413
ExchangeOperator: bisection time: 1.516 s
total exchange = -52.3077109302 (a.u.)
total exchange computation time: 2.9477059841 s
-153.9798035836
Anderson extrapolation: theta=0.2599286882 (0.2599286882)
-931.35557324
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0608284884
ExchangeOperator: pair fraction: ispin=0: 0.1504164413
ExchangeOperator: bisection time: 1.515 s
total exchange = -52.3076954696 (a.u.)
total exchange computation time: 2.9465899467 s
-153.9799333683
Anderson extrapolation: theta=1.6997883432 (1.6997883432)
-931.35557478
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0608284884
ExchangeOperator: pair fraction: ispin=0: 0.1504164413
ExchangeOperator: bisection time: 1.513 s
total exchange = -52.3076813113 (a.u.)
total exchange computation time: 2.9466600418 s
-153.9800201553
Anderson extrapolation: theta=0.3094022234 (0.3094022234)
-931.35557651
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0608284884
ExchangeOperator: pair fraction: ispin=0: 0.1504164413
ExchangeOperator: bisection time: 1.516 s
total exchange = -52.3076891970 (a.u.)
total exchange computation time: 2.9491519928 s
-153.9799209297
Anderson extrapolation: theta=1.1727248692 (1.1727248692)
-931.35557691
-114.408518 72.333530 -212.547242
562.987697 1075.099077 -404.197871
448.579178 1147.432608 -616.745113
1377.751575
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0608284884
ExchangeOperator: pair fraction: ispin=0: 0.1504164413
ExchangeOperator: bisection time: 1.514 s
total exchange = -52.3077069642 (a.u.)
total exchange computation time: 2.8596181870 s
677.83829262
-1081.83980386
89.89002621
-390.31562546
-174.62075970
77.21173474
551.60419304
0.00000000
-931.35557715
4.62654283 -30.79672789 -3.57840835
-0.00015014 -0.00013580 0.00012018
0.00533509 -0.01486729 -0.00050609
-12.05490690 2.06132262 -9.47978468
0.00033210 0.00000950 0.00007027
0.02482869 0.00061518 0.00846529
-36.21400832 1.19135032 3.13439012
0.00012128 0.00038849 -0.00010085
0.03255790 -0.00640530 0.00056242
-7.50704196 -3.63984148 2.50388470
0.00000475 0.00015074 0.00015897
0.00723722 0.00954471 0.00402361
2.24847114 0.10848852 8.91760992
0.00009701 -0.00011477 0.00004523
-0.01714882 0.02324991 0.04161376
-30.93904342 1.33401716 2.76581539
-0.00019839 0.00013926 -0.00011046
0.02926391 0.00736632 -0.00705195
16.98269920 13.28110745 -17.79452417
0.00005882 -0.00014117 -0.00043449
0.07248285 0.00386320 0.03653186
-3.44732323 5.28340046 5.55939390
0.00005807 -0.00020900 0.00010800
0.01073000 0.01698726 -0.03905006
5.85872850 17.26483057 -6.97649378
0.00002219 -0.00015279 0.00011334
0.01814736 -0.01290333 -0.02802586
7.13867530 5.61959210 -21.02064021
0.00014203 0.00003760 0.00021615
-0.01085146 0.00084145 0.04958268
18.62558167 19.60103963 -5.09557765
-0.00014144 0.00004422 0.00001065
0.02008153 0.03613767 0.01864131
1.89874496 13.87543619 -21.05125229
0.00005183 0.00010814 -0.00032156
0.00948468 0.01362793 0.00253395
10.28150312 -5.42408700 0.25196796
0.00000881 0.00022902 0.00019782
-0.00692261 0.03341793 0.00306081
-18.41274288 -3.89891434 5.35953449
0.00028613 -0.00020356 -0.00003615
0.00713477 -0.01335304 -0.00679936
-14.12771667 -1.45024123 20.50107104
-0.00024487 -0.00002289 0.00030904
-0.00526724 0.03790459 -0.00854031
1.59607583 3.68522985 -3.84229603
0.00002354 -0.00007867 -0.00024980
0.00237630 -0.00866585 -0.01913975
21.31269462 -10.59271508 -4.40029461
-0.00013423 -0.00018636 -0.00025538
0.01335659 0.01412748 -0.01903456
3.05154555 -10.27846277 7.97093379
0.00006125 -0.00016529 -0.00012220
-0.04077831 -0.00544969 0.02225618
-1.84484972 -1.83519691 -19.44535489
-0.00011775 0.00001474 -0.00002908
0.00234316 0.00015993 -0.00999461
-0.14610399 3.50409187 -10.12523669
-0.00044505 0.00017558 -0.00049226
-0.00959581 -0.04298016 -0.00845496
-5.03211524 14.62356466 14.50447197
0.00006558 -0.00001474 -0.00003170
0.01128159 0.00420233 -0.02652203
-5.52833141 2.54597258 -7.38887974
0.00021498 0.00028521 0.00005537
0.00952466 0.00398934 -0.00562031
-9.15351341 0.67997026 -4.17806601
-0.00016685 0.00015191 0.00010713
0.00412704 0.01796242 0.01401563
2.98745650 27.56824660 5.90792310
-0.00012963 -0.00024999 0.00000840
-0.00870763 0.00242542 -0.03204931
10.07437248 -10.57496512 -1.65972809
-0.00012761 -0.00044554 0.00044061
-0.04071295 0.01946948 -0.02240028
-6.79692378 1.00812885 9.19604519
-0.00009672 0.00008552 0.00010355
0.02827424 -0.01962347 -0.00252051
20.48315281 10.83227541 6.98784286
-0.00035630 -0.00011177 -0.00011820
0.04308039 0.02338463 0.02804784
-3.08820196 1.09230312 -23.76929971
0.00006383 -0.00005079 0.00008325
-0.05943309 0.01032341 -0.04526321
-13.98923043 8.73682673 8.50067006
0.00034707 0.00016818 0.00004276
0.02169438 0.02357357 0.00169691
-13.38540853 6.11750370 -3.28467903
-0.00024276 -0.00020792 -0.00000553
-0.01234350 0.03072597 -0.01725438
-2.22977902 -15.34496694 20.61528683
-0.00015673 0.00002361 -0.00003004
0.02758488 -0.01181923 -0.00761228
-6.01238993 7.47953034 -8.23247045
0.00007263 0.00021647 0.00032941
0.00954203 0.01019177 -0.01360518
-19.84788832 30.51416694 1.14588206
0.00024618 -0.00027892 -0.00033016
-0.00412003 -0.00562284 -0.00294175
9.89724310 3.77034327 7.90550100
-0.00016721 0.00008771 0.00009335
0.03834474 -0.00505520 0.03199982
7.16277795 15.91409639 -11.77861050
0.00006475 0.00020598 0.00016036
-0.00274339 0.02503909 0.00674193
13.90585646 5.22936911 -1.16034101
-0.00046409 -0.00020135 -0.00002053
-0.02831861 0.02739975 -0.04431036
-5.93607395 11.43618518 -2.19929318
-0.00044579 0.00012725 -0.00020627
0.00787556 -0.01352837 0.04381191
7.94857682 12.85021501 5.14498042
-0.00008653 -0.00039737 0.00022169
0.03718052 -0.05470482 -0.01840070
21.98483485 -12.08970997 -9.71202556
-0.00033319 0.00011778 0.00010512
-0.06581645 0.00007410 0.00236158
19.95103821 -5.98352542 -1.37491060
-0.00009565 0.00007485 0.00037890
-0.03488300 -0.00434456 -0.01541924
14.60662036 7.96306269 8.68618682
0.00019217 0.00006918 0.00003895
-0.00721069 0.01645101 -0.01293735
3.79973975 -13.81870814 16.33331930
-0.00005834 -0.00003163 0.00015458
0.00425922 0.00197480 0.00600677
-2.56675448 -2.46712809 -13.76515185
0.00007470 -0.00007383 0.00012860
0.00399943 0.00786536 0.02181325
15.50936465 -7.36053475 -13.13178214
0.00009995 -0.00003263 -0.00018443
0.00509935 -0.00704620 0.01282745
9.55357278 -3.56555985 6.76939430
0.00024392 -0.00028458 -0.00019293
-0.04936877 -0.00571681 0.00567323
-19.39745563 1.38005895 24.89976846
0.00014480 0.00003312 0.00002168
-0.01560111 0.00142507 -0.00519590
24.41523097 -1.30673098 -7.36695127
-0.00026704 0.00021982 0.00008495
0.02128536 -0.03202861 -0.01617139
11.65497273 -10.40484834 -11.08496927
0.00005806 -0.00022699 -0.00024770
-0.01706247 0.00192925 0.02022039
-9.04596317 -10.89053255 16.41613885
0.00051957 0.00028917 0.00026836
0.00649394 -0.00081054 -0.00494434
6.72420687 1.59695779 -27.89084379
0.00025303 -0.00001215 0.00020854
0.00201661 0.00331100 0.00543349
12.66230022 18.86386075 13.08306630
-0.00012822 -0.00023867 -0.00021301
0.03137705 -0.01163328 -0.01733668
26.11810430 7.48779743 -11.08725417
-0.00031143 0.00011704 0.00006951
0.01918086 0.00131399 0.00520520
5.29606298 -29.36753492 -4.53223019
0.00007999 -0.00041591 -0.00056063
-0.00259369 0.00301182 0.00166241
4.18046685 -30.28444118 -1.89029645
0.00058173 0.00082328 -0.00048427
-0.00597353 0.00845501 0.00416167
-10.25312183 1.65873175 -9.08722463
0.00112340 0.00050976 0.00070909
-0.03304645 0.00714380 -0.00919420
-12.13926874 2.77669029 -11.19441920
0.00020975 0.00002589 0.00030244
0.00389086 -0.00771538 0.00454516
-36.78128391 2.59820975 2.14412499
-0.00059581 -0.00029175 0.00032457
-0.01013447 0.02198335 -0.00614019
-37.66863863 0.32442470 3.67072940
-0.00053212 -0.00005176 0.00086287
-0.02465582 -0.01434603 0.00852610
-8.85445078 -4.55574057 1.69619913
0.00082571 0.00093425 -0.00078779
-0.01632905 -0.00571978 -0.00883087
-6.34384552 -4.88204121 3.11890375
0.00050497 0.00027595 -0.00030771
0.00448889 -0.00600824 0.00395948
2.46258126 0.05511458 7.17336637
0.00049656 0.00036251 0.00059045
0.00761322 -0.00840081 -0.04051243
1.56622630 1.82778997 9.24116224
-0.00010558 0.00066736 -0.00021455
0.00586742 -0.01916291 0.00437348
-30.31316304 -0.40792581 2.41997651
0.00011850 0.00018353 -0.00040770
-0.01354602 0.01211139 0.00966911
-32.72119705 1.36438471 3.03210707
0.00071886 -0.00085894 -0.00044955
-0.01650415 -0.01574684 0.00001511
15.50593088 12.46593254 -18.15515251
-0.00042563 -0.00078101 -0.00041276
-0.05276846 -0.03443284 -0.01521819
18.16850293 11.99944991 -16.79327287
-0.00043414 0.00067829 -0.00033933
-0.01858281 0.02925551 -0.02211303
-3.01788929 6.91198261 6.31448954
-0.00018301 -0.00037331 -0.00049520
-0.00116082 -0.00558543 0.00199644
-2.93326966 5.59870719 3.75495447
-0.00026103 -0.00029559 -0.00017141
-0.00862646 -0.00938803 0.03223123
5.90407897 16.30098572 -8.66825051
-0.00065886 -0.00000017 -0.00043906
0.00553829 0.02234488 0.02400343
7.51606227 18.13131842 -6.97731642
-0.00136380 -0.00033181 -0.00032666
-0.01901077 -0.00818162 0.00091867
7.59881372 5.99674162 -22.66479274
0.00049479 -0.00055322 -0.00104789
0.00006591 -0.01016642 -0.06261210
8.54760184 6.56916917 -20.34626871
0.00049941 0.00071054 -0.00093984
0.00337210 0.00626609 0.02701625
19.15922887 21.16965756 -4.06080246
0.00059596 0.00002315 -0.00043267
-0.01915134 -0.03093764 -0.00489834
19.99332277 19.75782046 -6.27243139
-0.00103972 0.00005344 -0.00048307
0.00772564 -0.00945932 -0.01509641
2.28841120 12.14123425 -20.61960198
-0.00127165 0.00040033 0.00049935
-0.01592745 -0.00187803 0.00018133
0.10335236 14.30870844 -21.10462536
0.00033076 0.00011363 -0.00071857
0.01156577 -0.01144912 -0.00281488
10.93592310 -6.52905990 -1.02831902
-0.00033061 -0.00035283 0.00066069
-0.00497337 -0.00298871 -0.00749146
9.53018411 -3.79893638 -0.55410973
0.00092884 -0.00037171 0.00003653
0.01389839 -0.03896412 0.00459533
-18.63741387 -4.74397773 6.95216939
0.00090175 -0.00064555 -0.00083795
-0.00221722 -0.00062506 0.00542586
-18.90578170 -5.19053353 4.13460204
0.00069874 -0.00023027 0.00035438
-0.00073646 0.00880119 0.00206413
-14.63084214 -0.17165037 19.14368833
0.00047622 0.00097572 -0.00018124
0.00626553 -0.02347386 0.00963318
-14.09370462 -0.40230834 22.03756495
0.00020844 -0.00009679 -0.00024842
-0.00146897 -0.00928851 -0.00423534
1.74354922 3.53079384 -2.06146676
-0.00125204 0.00030816 -0.00005062
0.00410947 -0.01058564 0.01514909
1.94472616 1.98393818 -4.54930298
0.00033257 0.00044523 -0.00072240
-0.00558570 0.02150921 0.00633879
21.59063998 -10.60228033 -6.31769807
0.00054732 -0.00023243 0.00046137
0.00358946 0.00850340 0.05166384
22.62145895 -9.60348426 -3.43374717
0.00040076 -0.00010222 0.00029338
-0.01891313 -0.01385536 -0.03233987
4.63073345 -10.38654631 7.22189860
-0.00003555 0.00020376 -0.00074475
0.04032801 0.00161533 -0.02204903
2.96295671 -11.73731966 9.11698859
-0.00020964 -0.00058200 -0.00009508
0.00130577 0.00744491 -0.00123969
-1.97562128 -3.33112900 -20.52961293
0.00009870 -0.00031310 -0.00084768
-0.00252236 0.00838705 0.00291597
-3.43422863 -1.65004333 -18.59381433
0.00042044 0.00029152 -0.00060780
-0.00088895 -0.00580164 0.00430552
0.56813004 5.10437844 -9.94923702
-0.00001605 -0.00048126 0.00056241
0.00415291 0.03372638 0.00346526
-1.93772665 3.46591411 -9.79610835
0.00147737 -0.00038493 0.00108200
0.00606742 0.01350657 0.00299630
-3.56677722 14.53788753 15.53991037
-0.00097128 0.00161943 0.00012258
0.01291601 -0.00185361 0.00732420
-6.37897984 14.44042919 15.64773301
0.00018241 0.00095034 -0.00000141
-0.02317043 -0.00246260 0.01165524
-6.68281223 1.78980122 -6.21280637
-0.00061391 0.00075736 0.00014034
-0.00814588 -0.01168861 0.00741947
-5.15451146 1.23858931 -8.59334306
0.00098893 0.00041533 0.00084553
-0.00477601 0.00054090 -0.00286731
-10.33547906 -0.50965487 -3.38585860
0.00069531 0.00010948 -0.00012540
0.00899455 0.01699222 -0.00246642
-9.00636347 2.30203880 -3.18114365
-0.00099236 -0.00089351 0.00046635
-0.01083640 -0.02644703 -0.00516005
2.42115564 29.05676087 4.96032540
0.00134506 0.00032146 0.00011392
0.00344406 -0.00725655 0.01437291
3.45616843 28.01195218 7.56959537
-0.00032840 -0.00020451 -0.00149767
0.00139576 0.01031768 0.02007857
8.27593051 -9.99881831 -1.41120971
-0.00030435 -0.00096986 0.00046579
0.03601861 -0.01117460 -0.00315182
10.75136406 -11.28930475 -0.11766047
0.00113093 0.00062014 0.00006791
-0.00482338 -0.00273250 0.01121635
-5.32114193 -0.15280936 8.93552789
0.00103918 -0.00015554 -0.00005280
-0.00489929 0.01916592 -0.00309806
-8.01254087 -0.31115393 9.36884108
-0.00033163 0.00034542 -0.00026461
-0.02183370 -0.00141380 0.00224899
20.58574778 10.94895195 8.88757309
-0.00007803 0.00068626 0.00046412
-0.00928166 -0.00795543 -0.02957016
22.27520121 11.65675406 6.69534789
0.00054046 -0.00012475 -0.00070043
-0.03660643 -0.02300906 0.00153589
-2.79287281 0.77286743 -22.04633522
-0.00051030 -0.00032011 -0.00172887
0.00424172 -0.01560559 0.02874497
-5.01476938 1.01237332 -24.03992532
0.00038666 0.00005018 -0.00045075
0.04988029 0.00370082 0.01319501
-12.70608688 9.40774405 9.71312818
0.00046568 0.00053461 0.00055056
-0.01179494 -0.00573125 -0.00885111
-13.86938914 10.08652091 7.18298083
0.00100869 -0.00075482 -0.00028790
-0.00855697 -0.01739107 0.01219025
-13.74645309 5.11144590 -4.78619953
-0.00044929 -0.00002311 0.00002975
-0.00393744 0.00132144 0.00974011
-14.47449675 7.65641435 -3.44889573
0.00039866 0.00029688 -0.00005877
0.02245172 -0.02319115 -0.00716395
-3.95676225 -15.55022573 20.22758972
-0.00012903 -0.00029003 -0.00053807
-0.02574251 -0.00174041 -0.00040674
-1.45700994 -16.53483852 19.39951066
-0.00015115 -0.00056513 0.00000869
-0.00429785 0.00790926 0.00997261
-6.27152476 5.72784349 -7.73353036
0.00080094 0.00073551 0.00097792
-0.00033223 0.00365659 0.00107599
-7.07011814 8.67689123 -7.33870226
-0.00099048 -0.00108066 0.00081744
-0.00628560 -0.00404582 0.00621598
-21.18420207 29.94353895 -0.04489324
-0.00068344 -0.00092002 0.00019632
0.01705125 0.00157337 0.01884756
-18.47644911 29.27936493 1.41867219
0.00089306 0.00051274 0.00012441
-0.01074439 0.00659212 -0.01378494
9.10435271 3.04697032 6.53939981
0.00102844 -0.00064370 -0.00005510
-0.02656830 -0.03212534 -0.04157036
9.20070953 5.39501586 8.01433877
-0.00012479 -0.00013281 0.00013520
-0.01253008 0.04017439 0.00288067
8.44585745 17.22667464 -12.14750370
-0.00073315 0.00053726 -0.00017974
-0.01166007 -0.01590969 -0.00108780
8.07295335 14.37535698 -11.61366613
0.00082755 0.00101586 -0.00061261
0.01228788 -0.01417134 -0.00375417
12.19534653 6.05950563 -1.51168133
-0.00002196 -0.00015831 0.00024043
0.03873818 -0.02175178 0.01253517
13.87159547 4.36917820 0.40276111
0.00043598 -0.00054843 -0.00000344
-0.00840176 -0.01347226 0.02276950
-4.14048757 11.11499560 -2.11653110
-0.00024506 0.00007124 0.00132505
0.01194882 0.00209948 -0.01784762
-6.47248821 10.36904308 -0.75937314
-0.00076411 0.00011818 0.00065986
-0.00766112 0.01397576 -0.01552167
7.29321885 14.28852432 4.35821184
-0.00027359 0.00025734 0.00047752
-0.00811318 0.02481663 -0.01638703
9.10823955 11.88030903 3.82538869
-0.00003825 0.00012275 0.00016224
-0.02846440 0.02778466 0.03530596
20.31882887 -12.76170150 -8.99476172
0.00003598 -0.00051009 0.00021102
0.03912546 0.00855380 -0.01233231
23.33156511 -12.43411070 -8.58097821
0.00043742 0.00054162 0.00020410
0.01191228 -0.01203919 0.01391027
19.69814947 -4.85740434 -2.87962146
0.00043307 -0.00026833 0.00002934
0.00650420 -0.00049320 0.01395333
18.35073734 -6.96786360 -1.53643635
-0.00060459 0.00001835 -0.00005110
0.02357700 0.00971813 0.01067633
13.62141207 9.49441591 8.43369311
0.00055667 0.00041463 0.00036851
0.00561094 -0.01095893 -0.00044812
14.90109254 8.00266504 10.47104597
0.00016546 -0.00039848 0.00071250
0.00753880 -0.00613347 0.01917307
2.95591320 -14.99774250 17.42202376
0.00040037 0.00019132 -0.00040972
-0.00841237 -0.02396369 -0.00649975
4.05629459 -12.49669767 17.54718763
-0.00058984 0.00084809 -0.00024288
0.00410670 0.02309622 -0.00578584
-2.77218991 -3.94880469 -12.68446206
-0.00003944 0.00044190 -0.00025423
0.00191862 0.01120043 -0.00777943
-1.17623198 -1.42497565 -13.02784702
-0.00018080 0.00090866 0.00008783
-0.00798933 -0.01718907 -0.01311797
16.14911042 -7.98665255 -14.82596513
-0.00026205 0.00056562 -0.00008931
0.00063160 0.00757521 0.02402264
16.51554707 -7.86929329 -11.61238852
0.00006814 -0.00082018 -0.00031433
-0.00962517 0.00421905 -0.02907804
7.72979368 -4.05775835 6.33658985
-0.00013920 0.00018361 0.00092411
0.04264884 0.01499244 0.00440791
10.50668252 -3.78713136 5.26441370
0.00058231 -0.00053717 -0.00018937
0.00713225 -0.00336461 -0.01202069
-21.19532599 1.03942845 25.08164109
-0.00102542 0.00004349 0.00023595
0.00854730 -0.01164814 -0.00334219
-19.25410496 2.94325264 25.82615050
0.00026504 -0.00007957 -0.00024804
0.00633779 0.00649844 0.00800516
25.49006160 -2.91944081 -7.24381800
-0.00039120 0.00014461 -0.00066911
-0.01440647 0.02916266 0.00830251
24.52919494 -1.06865573 -9.20082876
-0.00141523 -0.00053000 -0.00041937
-0.00686845 0.00900912 0.00826384
11.78331087 -10.03104518 -9.25165057
-0.00083389 0.00030167 -0.00077037
0.00729107 -0.00670751 -0.01725483
12.67689079 -9.18797320 -11.99659842
0.00048407 -0.00056399 -0.00068480
0.00939016 0.00827034 0.00019880
-7.71340271 -10.59904732 17.72220509
-0.00042000 0.00000862 -0.00037468
-0.00476364 -0.00499739 -0.01183288
-10.34624998 -11.51196014 17.53368634
0.00059212 0.00029098 0.00076796
-0.01181875 0.00409446 0.00040955
7.90727932 2.02225210 -29.22145326
-0.00030371 0.00040150 -0.00052051
0.01999380 -0.00190479 -0.00910827
5.45652368 0.78133598 -28.89725361
0.00001350 -0.00039689 -0.00027196
-0.01833770 -0.00753404 0.00241866
14.45340545 19.16293936 13.60933103
-0.00024028 0.00016715 -0.00081585
-0.02989670 -0.00955945 -0.00559293
12.83335479 17.78092332 11.54653038
0.00075601 0.00051218 0.00038767
0.00140472 0.01655997 0.02352299
27.82153935 7.70831459 -11.81228564
0.00041864 -0.00015993 0.00048764
-0.00659657 0.00131928 -0.00180550
26.43293965 7.73125221 -9.27338747
-0.00052005 -0.00013617 -0.00030399
-0.00465351 -0.00356197 -0.00617754
-7.96533332 4.62480502 6.07445158
0.00012036 0.00019047 0.00003184
0.00319140 -0.00874983 0.00307617
-10.51460338 9.21016915 2.88857865
0.00009132 -0.00004074 0.00005044
0.00857933 -0.00634356 0.01082710
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.07734492
0.27823223
370.73049796
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0608284884
ExchangeOperator: pair fraction: ispin=0: 0.1504164413
ExchangeOperator: bisection time: 1.515 s
total exchange = -52.3145568932 (a.u.)
total exchange computation time: 2.8608851433 s
-154.0009278809
-931.35556381
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0608284884
ExchangeOperator: pair fraction: ispin=0: 0.1504164413
ExchangeOperator: bisection time: 1.513 s
total exchange = -52.3146436021 (a.u.)
total exchange computation time: 2.8614008427 s
-154.0010891679
Anderson extrapolation: theta=1.3393030296 (1.3393030296)
-931.35580185
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0608284884
ExchangeOperator: pair fraction: ispin=0: 0.1504164413
ExchangeOperator: bisection time: 1.514 s
total exchange = -52.3147186772 (a.u.)
total exchange computation time: 2.8606479168 s
-154.0015831258
Anderson extrapolation: theta=0.0494132009 (0.0494132009)
-931.35594268
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0608284884
ExchangeOperator: pair fraction: ispin=0: 0.1504164413
ExchangeOperator: bisection time: 1.516 s
total exchange = -52.3146844507 (a.u.)
total exchange computation time: 2.8619990349 s
-154.0019136960
Anderson extrapolation: theta=1.8928624544 (1.8928624544)
-931.35594775
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0608284884
ExchangeOperator: pair fraction: ispin=0: 0.1504164413
ExchangeOperator: bisection time: 1.515 s
total exchange = -52.3146031759 (a.u.)
total exchange computation time: 2.8618798256 s
-154.0026244339
Anderson extrapolation: theta=0.2205263390 (0.2205263390)
-931.35595302
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0608284884
ExchangeOperator: pair fraction: ispin=0: 0.1504164413
ExchangeOperator: bisection time: 1.513 s
total exchange = -52.3145794185 (a.u.)
total exchange computation time: 2.8615558147 s
-154.0027844505
Anderson extrapolation: theta=1.9079546786 (1.9079546786)
-931.35595401
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0608284884
ExchangeOperator: pair fraction: ispin=0: 0.1504164413
ExchangeOperator: bisection time: 1.514 s
total exchange = -52.3145450897 (a.u.)
total exchange computation time: 2.8629949093 s
-154.0029679936
Anderson extrapolation: theta=0.2890852757 (0.2890852757)
-931.35595524
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0608284884
ExchangeOperator: pair fraction: ispin=0: 0.1504164413
ExchangeOperator: bisection time: 1.514 s
total exchange = -52.3145468724 (a.u.)
total exchange computation time: 2.8600168228 s
-154.0029026514
Anderson extrapolation: theta=1.3038952383 (1.3038952383)
-931.35595551
-114.366514 72.345510 -212.592104
562.996683 1075.112763 -404.228956
448.630169 1147.458273 -616.821061
1377.823551
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0608284884
ExchangeOperator: pair fraction: ispin=0: 0.1504164413
ExchangeOperator: bisection time: 1.517 s
total exchange = -52.3145580112 (a.u.)
total exchange computation time: 2.8636050224 s
677.94208887
-1082.06519452
89.88465745
-390.16389614
-174.63905332
77.33513360
551.60419304
0.00000000
-931.35595567
4.62431134 -30.79882226 -3.57660768
-0.00014702 -0.00014329 0.00011888
0.00677808 -0.01425833 -0.00453066
-12.04982965 2.06146750 -9.47869800
0.00034582 0.00000948 0.00007533
0.02854223 -0.00069481 0.01120315
-36.21206351 1.19715294 3.13287955
0.00013619 0.00038311 -0.00009916
0.02542599 -0.01452676 0.00598668
-7.50694282 -3.63754356 2.50628472
0.00000936 0.00015617 0.00016159
0.01067767 0.01158552 0.00618556
2.24986021 0.10685662 8.91844887
0.00008758 -0.00010168 0.00006780
-0.01952362 0.02767026 0.04616794
-30.94190632 1.33613448 2.76413131
-0.00018134 0.00014271 -0.00011445
0.03701285 0.00606408 -0.00845225
16.98386108 13.27900473 -17.80090063
0.00009354 -0.00013970 -0.00041662
0.06253484 0.00186505 0.03296801
-3.44641073 5.28033098 5.56086327
0.00006339 -0.00020098 0.00008737
0.00996052 0.01420196 -0.04117369
5.85913138 17.26248890 -6.97490182
0.00002926 -0.00016067 0.00009847
0.00934854 -0.01771045 -0.02977905
7.14076385 5.62015941 -21.01720675
0.00013749 0.00003904 0.00023888
-0.00680742 0.00474992 0.03880612
18.62353760 19.60184239 -5.09534601
-0.00013151 0.00006271 0.00002056
0.01851134 0.03574681 0.01989635
1.89955897 13.87711084 -21.05606596
0.00005683 0.00011548 -0.00032033
0.00995522 0.01490331 0.00226875
10.28160859 -5.42052285 0.25494702
0.00000567 0.00024550 0.00019977
-0.00530451 0.03068099 0.00453252
-18.40842342 -3.90201921 5.35896599
0.00029008 -0.00020963 -0.00004015
0.00822009 -0.01027488 -0.00876222
-14.13140999 -1.45043830 20.50567373
-0.00024773 -0.00000316 0.00030314
-0.00586011 0.03879895 -0.01440573
1.59643813 3.68401638 -3.84611680
0.00002465 -0.00008251 -0.00025940
0.00194399 -0.00625702 -0.01822274
21.31073275 -10.59545603 -4.40419880
-0.00012668 -0.00017856 -0.00026374
0.01597592 0.01622494 -0.01347372
3.05230700 -10.28096318 7.96918671
0.00004066 -0.00016845 -0.00011076
-0.03928857 -0.00684448 0.02222483
-1.84660690 -1.83497521 -19.44582957
-0.00011520 0.00001369 -0.00003568
0.00755826 -0.00422274 -0.01568584
-0.15281678 3.50655983 -10.13265317
-0.00044700 0.00015312 -0.00049747
0.00200687 -0.04438889 -0.01181425
-5.03108797 14.62335972 14.50389415
0.00007012 -0.00001255 -0.00004632
0.00635704 0.00434035 -0.03032605
-5.52506992 2.55026616 -7.38807085
0.00021918 0.00028765 0.00005373
0.00679950 0.00546947 -0.00076783
-9.15600026 0.68231822 -4.17640498
-0.00016421 0.00016095 0.00011347
0.00616087 0.01718956 0.01065379
2.98547845 27.56450606 5.90792550
-0.00013495 -0.00024935 -0.00001093
-0.01197783 0.00008002 -0.04311419
10.07230134 -10.58157312 -1.65320531
-0.00014853 -0.00043538 0.00042849
-0.04067144 0.02004132 -0.02472294
-6.79826546 1.00933600 9.19758865
-0.00008096 0.00007485 0.00010203
0.03301511 -0.02186093 -0.00337244
20.47797452 10.83068910 6.98617811
-0.00033339 -0.00009935 -0.00010317
0.04601340 0.02490004 0.03038785
-3.08747378 1.09158104 -23.76822557
0.00003299 -0.00004467 0.00005598
-0.06050522 0.01349441 -0.06078731
-13.98394072 8.73944030 8.50131806
0.00035866 0.00017996 0.00004460
0.02337227 0.02226497 0.00543186
-13.38909748 6.11450342 -3.28482856
-0.00024898 -0.00019195 -0.00001426
-0.01186798 0.03137988 -0.01669670
-2.23202360 -15.34465845 20.61480679
-0.00014276 0.00001704 -0.00003441
0.02673945 -0.01372091 -0.00936842
-6.01126372 7.48281675 -8.22758171
0.00007731 0.00022233 0.00032254
0.00867712 0.01258102 -0.01313408
-19.84421152 30.50996138 1.14091835
0.00024343 -0.00028178 -0.00033200
-0.00657429 -0.00547327 -0.00420676
9.89488280 3.77163944 7.90702467
-0.00014731 0.00008477 0.00010997
0.03905222 -0.00639400 0.03261410
7.16373866 15.91728264 -11.77617916
0.00006269 0.00021916 0.00016380
-0.00526472 0.02620667 0.00665930
13.89878581 5.22645461 -1.16081985
-0.00047792 -0.00018777 -0.00004278
-0.02546114 0.02537608 -0.04221850
-5.94273042 11.43804181 -2.20221829
-0.00044132 0.00011951 -0.00018251
0.00951273 -0.01659596 0.04859845
7.94742228 12.84404345 5.14823474
-0.00006811 -0.00042415 0.00021175
0.03446632 -0.04942503 -0.02024667
21.97958309 -12.08794304 -9.71043965
-0.00036576 0.00011754 0.00010704
-0.06084668 -0.00099557 0.00512187
19.94946894 -5.98241942 -1.36928657
-0.00011414 0.00007230 0.00037084
-0.03701313 -0.00559503 -0.01592221
14.60947515 7.96416386 8.68672110
0.00018872 0.00007769 0.00003369
-0.00622357 0.01662385 -0.00751721
3.79888116 -13.81917503 16.33566119
-0.00005537 -0.00002917 0.00015713
0.00728286 0.00759639 0.00389928
-2.56561861 -2.46820523 -13.76313870
0.00007709 -0.00006838 0.00013915
0.00532645 0.01333807 0.01921777
15.51088364 -7.36105136 -13.13449917
0.00010237 -0.00003613 -0.00017731
0.00427559 -0.00655962 0.01487046
9.55704115 -3.56985054 6.76652221
0.00021900 -0.00028740 -0.00019005
-0.04752580 -0.00526464 0.00554600
-19.39534379 1.38056118 24.90007364
0.00013472 0.00003305 0.00001901
-0.02361708 -0.00166803 -0.00520823
24.41130745 -1.30355720 -7.36573942
-0.00025614 0.00020342 0.00007586
0.02109355 -0.03175119 -0.01916640
11.65577784 -10.40824573 -11.08860677
0.00004944 -0.00022585 -0.00023832
-0.01646637 0.00251036 0.01627355
-9.03814462 -10.88619814 16.42014510
0.00052112 0.00028821 0.00026508
-0.00046270 -0.00291836 -0.00778171
6.72801016 1.59678829 -27.88769472
0.00025348 -0.00001085 0.00021012
-0.00029574 0.00173796 0.00071379
12.66049797 18.86023584 13.07980428
-0.00011229 -0.00024396 -0.00022099
0.03057198 -0.00894912 -0.01367778
26.11350684 7.48955814 -11.08619148
-0.00030089 0.00011768 0.00007118
0.02180813 0.00116909 0.00129586
5.29718338 -29.37368133 -4.54058865
0.00006846 -0.00040606 -0.00055273
-0.00304980 0.00180916 0.00220130
4.18900973 -30.27183292 -1.89743293
0.00055552 0.00085886 -0.00046046
-0.00685560 0.00896152 0.00749392
-10.23728350 1.66659711 -9.07687003
0.00097991 0.00054074 0.00066878
-0.03719254 0.00802051 -0.01053870
-12.13600320 2.77684224 -11.18974335
0.00022630 -0.00000441 0.00031806
0.00420768 -0.00711905 0.00309989
-36.79053154 2.59450713 2.14880536
-0.00063886 -0.00019568 0.00029536
-0.01094322 0.02504173 -0.00815701
-37.67737589 0.32320868 3.68393368
-0.00061592 -0.00010090 0.00089137
-0.01636795 -0.00970603 0.00542830
-8.84256554 -4.54190209 1.68411161
0.00075367 0.00090580 -0.00082696
-0.01893580 -0.00820881 -0.01034103
-6.33613349 -4.87808612 3.11440946
0.00052160 0.00025208 -0.00029254
0.00365622 -0.00567232 0.00346493
2.47026289 0.06029481 7.18098170
0.00052910 0.00032743 0.00041636
0.00831562 -0.00877087 -0.04470530
1.56482236 1.83721319 9.23807795
-0.00007853 0.00058089 -0.00019730
0.00737665 -0.02316402 0.00407198
-30.31180056 -0.40480173 2.41415724
0.00006393 0.00023427 -0.00036774
-0.01316920 0.01272521 0.00989196
-32.71091987 1.35101804 3.02536435
0.00063517 -0.00092155 -0.00044705
-0.02446084 -0.01489837 0.00120484
15.49792945 12.45316231 -18.16181023
-0.00062495 -0.00091285 -0.00047061
-0.04480018 -0.03010679 -0.01310000
18.16142145 12.01052080 -16.79904043
-0.00050659 0.00079331 -0.00042724
-0.01688364 0.02704333 -0.02092147
-3.02067000 6.90621188 6.30712270
-0.00018607 -0.00038994 -0.00048356
-0.00033927 -0.00255973 0.00370171
-2.93744945 5.59398563 3.75337101
-0.00029626 -0.00033432 -0.00003874
-0.00862073 -0.00957107 0.03271329
5.89436584 16.30166784 -8.67410095
-0.00063529 0.00009221 -0.00033798
0.00599765 0.02287830 0.02547604
7.49502267 18.12609052 -6.98218811
-0.00142444 -0.00035664 -0.00032256
-0.01067299 -0.00396929 0.00108427
7.60623762 5.98813177 -22.68242969
0.00048861 -0.00060085 -0.00128104
-0.00309278 -0.01314897 -0.05151904
8.55519634 6.58001932 -20.35953840
0.00051066 0.00073429 -0.00083031
0.00213606 0.00536052 0.02659601
19.16758146 21.16905685 -4.06744257
0.00051715 -0.00010254 -0.00045146
-0.01942916 -0.03059067 -0.00430021
19.97796372 19.75833225 -6.28013997
-0.00100443 0.00001460 -0.00054859
0.00954900 -0.00955624 -0.01697623
2.26884844 12.14718173 -20.61210611
-0.00133363 0.00038766 0.00050068
-0.01441360 -0.00432859 0.00046559
0.10866813 14.31006208 -21.11549021
0.00037396 0.00006925 -0.00073005
0.00958199 -0.01027843 -0.00280468
10.93081150 -6.53444391 -1.01863823
-0.00035054 -0.00036587 0.00062924
-0.00478257 -0.00339417 -0.00790240
9.54454267 -3.80570595 -0.55342101
0.00098176 -0.00052448 0.00005297
0.01200170 -0.03581809 0.00345253
-18.62395561 -4.75368020 6.93976647
0.00089159 -0.00065140 -0.00080643
-0.00275283 -0.00223562 0.01000309
-18.89532311 -5.19371782 4.13998103
0.00069427 -0.00019716 0.00035766
-0.00145476 0.00740348 -0.00046194
-14.62350687 -0.15773390 19.14126495
0.00050301 0.00087418 -0.00013693
0.00684845 -0.02622909 0.01205505
-14.09062303 -0.40404481 22.03370891
0.00020224 -0.00013121 -0.00025946
-0.00156541 -0.00756278 -0.00116887
1.72489451 3.53509189 -2.06176188
-0.00123496 0.00026357 0.00000875
0.00425210 -0.01124163 0.01391600
1.94954352 1.99127572 -4.55994480
0.00031047 0.00052927 -0.00069578
-0.00522931 0.01962922 0.00669211
21.59895970 -10.60550622 -6.30919433
0.00056162 -0.00019770 0.00066490
0.00341467 0.00849982 0.04796473
22.62689083 -9.60544209 -3.43033751
0.00031846 -0.00016280 0.00015800
-0.02137504 -0.01580196 -0.03392793
4.63143605 -10.38344048 7.21005168
0.00012464 0.00020953 -0.00083189
0.03808439 0.00120998 -0.02060504
2.95985218 -11.74582153 9.11552440
-0.00020272 -0.00054820 -0.00010327
0.00207906 0.00910145 -0.00277148
-1.97421803 -3.33556847 -20.54223876
0.00008846 -0.00027099 -0.00082941
-0.00248994 0.01222389 0.00602739
-3.42794930 -1.64584831 -18.60279937
0.00040607 0.00026852 -0.00058498
-0.00614614 -0.00545846 0.00686487
0.56801657 5.09819310 -9.94069474
0.00000313 -0.00033999 0.00057795
0.00523731 0.03542621 0.00414512
-1.91538024 3.46055405 -9.77978647
0.00147614 -0.00033023 0.00109941
-0.00666961 0.01326828 0.00552515
-3.58095057 14.56212212 15.54197356
-0.00090593 0.00161142 0.00015962
0.01907101 -0.00206292 0.01080362
-6.37695368 14.45460881 15.64806898
0.00008525 0.00094028 0.00004668
-0.02438910 -0.00245908 0.01188544
-6.69227049 1.80080343 -6.21047395
-0.00064255 0.00071169 0.00016572
-0.00587305 -0.01066685 0.00500708
-5.13982387 1.24483582 -8.58074800
0.00097038 0.00041183 0.00082943
-0.00430340 -0.00225207 -0.00501431
-10.32477378 -0.50749203 -3.38781523
0.00072588 0.00017180 -0.00013253
0.00596987 0.01351497 -0.00102322
-9.02158086 2.28782573 -3.17430650
-0.00103458 -0.00099309 0.00044862
-0.00983423 -0.02229621 -0.00351868
2.44143706 29.06136047 4.96247458
0.00135791 0.00029134 0.00017040
0.00284596 -0.00748920 0.01327703
3.45128520 28.00920067 7.54774566
-0.00031471 -0.00015699 -0.00139059
0.00530717 0.01294650 0.03233659
8.27246903 -10.01370861 -1.40431947
-0.00015749 -0.00101515 0.00045391
0.03586783 -0.01099785 -0.00266373
10.76818022 -11.28008632 -0.11629807
0.00111126 0.00060764 0.00011701
-0.00480487 -0.00339001 0.01281910
-5.30570429 -0.15455517 8.93464099
0.00100804 -0.00007180 -0.00006352
-0.01034589 0.02182654 -0.00214977
-8.01818444 -0.30601594 9.36494088
-0.00041947 0.00033854 -0.00025578
-0.02116006 -0.00195571 0.00207264
20.58429297 10.95900214 8.89362878
-0.00011561 0.00065301 0.00033653
-0.00911536 -0.00832213 -0.03288435
22.28218640 11.65417773 6.68488850
0.00038538 -0.00022111 -0.00069139
-0.03930898 -0.02415931 0.00288927
-2.80039729 0.76758756 -22.07138737
-0.00048717 -0.00038974 -0.00157901
0.00707916 -0.01847612 0.04461292
-5.00744101 1.01323937 -24.04628228
0.00058704 0.00006517 -0.00039738
0.04820961 0.00364096 0.01293267
-12.69946314 9.41558753 9.72111529
0.00041369 0.00050944 0.00051010
-0.01365174 -0.00659048 -0.01095171
-13.85452100 10.07466564 7.17903592
0.00097363 -0.00082215 -0.00024082
-0.00860360 -0.01556490 0.01085604
-13.75331312 5.11113972 -4.78545479
-0.00046584 -0.00001883 0.00006833
-0.00416370 0.00077497 0.00914341
-14.46782889 7.66015697 -3.44999678
0.00048968 0.00020225 -0.00008804
0.02210247 -0.02313331 -0.00716636
-3.95948659 -15.55462952 20.21950619
-0.00023159 -0.00029611 -0.00053869
-0.02445907 -0.00123609 0.00010525
-1.45940889 -16.54307309 19.39994663
-0.00016963 -0.00052967 0.00005191
-0.00474661 0.00944661 0.01118435
-6.25952087 5.73898826 -7.71882854
0.00079976 0.00074399 0.00098217
-0.00024453 0.00048966 0.00100072
-7.08516797 8.66055741 -7.32625023
-0.00101448 -0.00109490 0.00084167
-0.00546295 -0.00292636 0.00564789
-21.19393114 29.92978689 -0.04137089
-0.00060823 -0.00091209 0.00027676
0.01976449 0.00230952 0.02052843
-18.46338238 29.28725800 1.42011594
0.00084869 0.00053812 0.00006706
-0.01097675 0.00583209 -0.01429059
9.11896513 3.03633042 6.53729951
0.00092018 -0.00077362 -0.00022500
-0.02642403 -0.03147154 -0.04159627
9.19845378 5.39425472 8.01645505
-0.00017768 0.00003269 0.00014562
-0.01336430 0.04084262 0.00221854
8.43450298 17.23424601 -12.15023310
-0.00077798 0.00047542 -0.00018440
-0.01028452 -0.01436269 -0.00119379
8.08574306 14.39016061 -11.62297025
0.00088007 0.00095250 -0.00062746
0.01342279 -0.01684336 -0.00351811
12.19620416 6.05646437 -1.50769076
0.00013155 -0.00024550 0.00029157
0.03640460 -0.02092741 0.01249950
13.87787767 4.36053890 0.40340722
0.00040081 -0.00060102 0.00008598
-0.00881069 -0.01226919 0.02100456
-4.14379736 11.11612848 -2.09720221
-0.00020067 0.00008084 0.00125124
0.00978188 0.00260060 -0.01828614
-6.48418469 10.37124400 -0.74995088
-0.00079327 0.00018032 0.00058923
-0.00661059 0.01644524 -0.01905290
7.28886644 14.29314481 4.36487248
-0.00030226 0.00034989 0.00041534
-0.00592249 0.02048952 -0.01405249
9.10679362 11.88300163 3.82890420
-0.00015370 0.00023506 0.00030500
-0.02805272 0.02719163 0.03457690
20.32056744 -12.76909077 -8.99197426
0.00019436 -0.00047481 0.00016151
0.03840662 0.00871675 -0.01190505
23.33849137 -12.42635535 -8.57749041
0.00047777 0.00049440 0.00025421
0.00783935 -0.01107674 0.01061696
19.70484488 -4.86144434 -2.87875381
0.00045954 -0.00027034 0.00008665
0.00645167 -0.00049250 0.01409914
18.34239097 -6.96729051 -1.53687571
-0.00050374 0.00006066 -0.00000677
0.02579063 0.01098993 0.01102602
13.62993405 9.50029952 8.43920703
0.00057972 0.00036921 0.00036679
0.00567410 -0.01127571 -0.00039389
14.90380538 7.99649984 10.48232101
0.00019441 -0.00042359 0.00077983
0.00663610 -0.00615848 0.01378410
2.96166093 -14.99560707 17.41567875
0.00036125 0.00008732 -0.00042876
-0.01073704 -0.02694399 -0.00282112
4.04757276 -12.48326864 17.54336707
-0.00057437 0.00093726 -0.00026924
0.00347070 0.02055278 -0.00711745
-2.77272271 -3.94183297 -12.68851387
-0.00003200 0.00048011 -0.00027977
0.00172148 0.00750167 -0.00472364
-1.17918881 -1.41187244 -13.02693154
-0.00021561 0.00083503 0.00003320
-0.00904900 -0.01885644 -0.01362529
16.14519905 -7.97793610 -14.82656866
-0.00025777 0.00059446 0.00000522
0.00146293 0.00654143 0.02225171
16.51627421 -7.88146670 -11.61799458
0.00002880 -0.00080220 -0.00043356
-0.00963181 0.00458387 -0.02928328
7.72901255 -4.05454472 6.35058651
0.00003546 0.00024404 0.00093884
0.04285123 0.01458548 0.00280439
10.51563576 -3.79529194 5.26120478
0.00060733 -0.00055090 -0.00023539
0.00511190 -0.00335981 -0.01050791
-21.21044537 1.03972394 25.08507791
-0.00097410 -0.00000072 0.00022089
0.01657471 -0.00999755 -0.00402821
-19.24993522 2.94225819 25.82267514
0.00029067 -0.00005045 -0.00021405
0.00621248 0.00775754 0.00863644
25.48375215 -2.91637805 -7.25360017
-0.00044928 0.00026264 -0.00063331
-0.01402538 0.02861274 0.00922021
24.50775599 -1.07632972 -9.20686615
-0.00144323 -0.00049260 -0.00038127
-0.00683661 0.00929780 0.01038953
11.77102593 -10.02672572 -9.26373480
-0.00080300 0.00027579 -0.00083503
0.00782998 -0.00596030 -0.01440080
12.68443964 -9.19617955 -12.00686429
0.00052026 -0.00053205 -0.00068154
0.00832559 0.00736298 0.00139732
-7.71984875 -10.59907118 17.71622229
-0.00042862 -0.00000885 -0.00041525
0.00054436 -0.00355293 -0.00802569
-10.33773027 -11.50746999 17.54521830
0.00054556 0.00030901 0.00076640
-0.01097439 0.00473130 -0.00117448
7.90333638 2.02821628 -29.22954003
-0.00022370 0.00039289 -0.00055422
0.01916989 -0.00231007 -0.00739484
5.45616425 0.77515169 -28.90125883
-0.00005487 -0.00042363 -0.00025592
-0.01513134 -0.00555128 0.00543316
14.44888513 19.16515373 13.59692190
-0.00035948 0.00012971 -0.00083597
-0.02845379 -0.00877098 -0.00425636
12.84473799 17.78911350 11.55306631
0.00076027 0.00057258 0.00047363
0.00067839 0.01300339 0.01855394
27.82761681 7.70595600 -11.80502638
0.00038568 -0.00015521 0.00048152
-0.00953753 0.00099134 -0.00119120
26.42499633 7.72910054 -9.27813657
-0.00053841 -0.00014965 -0.00032301
-0.00433688 -0.00303756 -0.00313345
-7.96351942 4.62763862 6.07493746
0.00012147 0.00018734 0.00003295
0.00303848 -0.00877338 0.00312710
-10.51321863 9.20954700 2.88935415
0.00009335 -0.00004220 0.00005297
0.00893465 -0.00621421 0.01095849
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.07735448
0.27860119
371.22211794
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0608284884
ExchangeOperator: pair fraction: ispin=0: 0.1504164413
ExchangeOperator: bisection time: 1.514 s
total exchange = -52.3225926612 (a.u.)
total exchange computation time: 2.8625950813 s
-154.0265037000
-931.35682645
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0608284884
ExchangeOperator: pair fraction: ispin=0: 0.1504164413
ExchangeOperator: bisection time: 1.515 s
total exchange = -52.3226141620 (a.u.)
total exchange computation time: 2.8590681553 s
-154.0272152485
Anderson extrapolation: theta=1.3400957116 (1.3400957116)
-931.35706428
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0608284884
ExchangeOperator: pair fraction: ispin=0: 0.1504164413
ExchangeOperator: bisection time: 1.514 s
total exchange = -52.3225990037 (a.u.)
total exchange computation time: 2.8617389202 s
-154.0284491642
Anderson extrapolation: theta=0.0493034646 (0.0493034646)
-931.35720520
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0608284884
ExchangeOperator: pair fraction: ispin=0: 0.1504164413
ExchangeOperator: bisection time: 1.513 s
total exchange = -52.3225586231 (a.u.)
total exchange computation time: 2.8603198528 s
-154.0288163593
Anderson extrapolation: theta=1.8836734459 (1.8836734459)
-931.35721026
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0608284884
ExchangeOperator: pair fraction: ispin=0: 0.1504164413
ExchangeOperator: bisection time: 1.515 s
total exchange = -52.3224663640 (a.u.)
total exchange computation time: 2.8593630791 s
-154.0295912284
Anderson extrapolation: theta=0.2185883628 (0.2185883628)
-931.35721549
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0608284884
ExchangeOperator: pair fraction: ispin=0: 0.1504164413
ExchangeOperator: bisection time: 1.514 s
total exchange = -52.3224408447 (a.u.)
total exchange computation time: 2.8641209602 s
-154.0297623258
Anderson extrapolation: theta=1.9137779244 (1.9137779244)
-931.35721647
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0608284884
ExchangeOperator: pair fraction: ispin=0: 0.1504164413
ExchangeOperator: bisection time: 1.515 s
total exchange = -52.3224037584 (a.u.)
total exchange computation time: 2.8593120575 s
-154.0299658805
Anderson extrapolation: theta=0.2896551162 (0.2896551162)
-931.35721770
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0608284884
ExchangeOperator: pair fraction: ispin=0: 0.1504164413
ExchangeOperator: bisection time: 1.515 s
total exchange = -52.3224054035 (a.u.)
total exchange computation time: 2.8600571156 s
-154.0299041259
Anderson extrapolation: theta=1.3028641550 (1.3028641550)
-931.35721797
-69.953679 72.356807 -212.632423
563.002806 1075.124786 -404.258907
493.049127 1147.481594 -616.891329
1392.970338
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0608284884
ExchangeOperator: pair fraction: ispin=0: 0.1504164413
ExchangeOperator: bisection time: 1.515 s
total exchange = -52.3224168431 (a.u.)
total exchange computation time: 2.8732390404 s
678.05952847
-1082.32043369
89.87825882
-389.99227322
-174.65988166
77.47487069
551.60419304
0.00000000
-931.35721813
4.62213214 -30.80102663 -3.57484196
-0.00014320 -0.00015044 0.00011561
0.00807928 -0.01354645 -0.00817939
-12.04453221 2.06160702 -9.47752489
0.00036120 0.00000884 0.00008176
0.03125293 -0.00178262 0.01382367
-36.20992256 1.20284349 3.13141518
0.00014736 0.00037371 -0.00009477
0.01799057 -0.02199946 0.01109134
-7.50676131 -3.63515626 2.50873246
0.00001561 0.00016250 0.00016528
0.01365263 0.01302224 0.00815226
2.25109865 0.10543819 8.91964400
0.00007708 -0.00008654 0.00009215
-0.02132694 0.03119032 0.04851035
-30.94448368 1.33829859 2.76238203
-0.00016056 0.00014562 -0.00011910
0.04380046 0.00525268 -0.00964030
16.98550541 13.27691640 -17.80702276
0.00012256 -0.00013939 -0.00040080
0.05032726 -0.00066804 0.02853507
-3.44542139 5.27737106 5.56201499
0.00006825 -0.00019445 0.00006588
0.00892527 0.01119945 -0.04240947
5.85960638 17.26001060 -6.97353959
0.00003161 -0.00017106 0.00008286
-0.00023049 -0.02271463 -0.03092423
7.14279987 5.62076337 -21.01347392
0.00013513 0.00004252 0.00025590
-0.00235342 0.00876523 0.02739910
18.62163634 19.60292093 -5.09496088
-0.00012234 0.00008085 0.00003093
0.01717042 0.03478787 0.02042739
1.90044978 13.87890047 -21.06086213
0.00006216 0.00012339 -0.00031922
0.01077731 0.01585452 0.00205756
10.28167314 -5.41672200 0.25796104
0.00000347 0.00026033 0.00020250
-0.00325544 0.02699033 0.00609313
-18.40404055 -3.90520335 5.35832989
0.00029458 -0.00021411 -0.00004506
0.00928865 -0.00711480 -0.01033496
-14.13514851 -1.45033605 20.51016527
-0.00025084 0.00001686 0.00029429
-0.00623645 0.03904363 -0.02001890
1.59681542 3.68275465 -3.85007815
0.00002552 -0.00008498 -0.00026829
0.00143199 -0.00335118 -0.01631761
21.30889413 -10.59807181 -4.40820692
-0.00011800 -0.00016979 -0.00026909
0.01777643 0.01787498 -0.00732214
3.05276535 -10.28351640 7.96761108
0.00002130 -0.00017228 -0.00009961
-0.03600956 -0.00804412 0.02111014
-1.84830576 -1.83478610 -19.44642526
-0.00011000 0.00001052 -0.00004511
0.01268137 -0.00812743 -0.02099493
-0.15951409 3.50868534 -10.14016079
-0.00044271 0.00013038 -0.00050449
0.01468930 -0.04401733 -0.01549936
-5.03001166 14.62318827 14.50308238
0.00007208 -0.00001035 -0.00006261
0.00125136 0.00419990 -0.03301837
-5.52175597 2.55460193 -7.38726788
0.00022191 0.00029080 0.00005460
0.00380268 0.00677926 0.00416385
-9.15843957 0.68479880 -4.17466177
-0.00016047 0.00016953 0.00011795
0.00838411 0.01618940 0.00674203
2.98340799 27.56076615 5.90759528
-0.00014188 -0.00024994 -0.00003572
-0.01497405 -0.00239420 -0.05328887
10.06991643 -10.58802651 -1.64687325
-0.00016915 -0.00042506 0.00041529
-0.03950213 0.02007068 -0.02661025
-6.79935244 1.01037449 9.19910609
-0.00006303 0.00006308 0.00010012
0.03669066 -0.02393578 -0.00405857
20.47315120 10.82929488 6.98474779
-0.00030916 -0.00008626 -0.00008713
0.04820765 0.02602165 0.03199983
-3.08721238 1.09096306 -23.76762038
0.00000196 -0.00003690 0.00002105
-0.06014459 0.01670022 -0.07502767
-13.97847069 8.74222563 8.50200796
0.00037099 0.00019094 0.00004835
0.02458191 0.02040143 0.00918258
-13.39287798 6.11174523 -3.28510690
-0.00025485 -0.00017578 -0.00002265
-0.01095573 0.03149360 -0.01592306
-2.23406190 -15.34445581 20.61425448
-0.00012952 0.00000955 -0.00003965
0.02475728 -0.01540428 -0.01100800
-6.01007058 7.48620021 -8.22279429
0.00008148 0.00022944 0.00031594
0.00754098 0.01507047 -0.01254435
-19.84058544 30.50571359 1.13592218
0.00023948 -0.00028447 -0.00033439
-0.00877884 -0.00497776 -0.00510768
9.89282379 3.77288629 7.90879995
-0.00012751 0.00008120 0.00012638
0.03795950 -0.00746813 0.03120932
7.16465876 15.92067107 -11.77369644
0.00005939 0.00023263 0.00016725
-0.00759873 0.02619010 0.00673869
13.89151874 5.22373588 -1.16162440
-0.00049003 -0.00017551 -0.00006364
-0.02161396 0.02231742 -0.03891919
-5.94931350 11.43977041 -2.20476848
-0.00043589 0.00011032 -0.00015646
0.01158760 -0.01914365 0.05271699
7.94653364 12.83749060 5.15133286
-0.00005131 -0.00044788 0.00020090
0.03086702 -0.04286952 -0.02192230
21.97386192 -12.08618379 -9.70881423
-0.00039545 0.00011682 0.00011038
-0.05457490 -0.00181377 0.00786257
19.94761412 -5.98135657 -1.36378538
-0.00013352 0.00006917 0.00036260
-0.03837990 -0.00655884 -0.01612838
14.61228193 7.96539328 8.68719739
0.00018583 0.00008617 0.00003129
-0.00499505 0.01637145 -0.00179470
3.79807875 -13.81958332 16.33803317
-0.00005090 -0.00002384 0.00015868
0.01007493 0.01314653 0.00214401
-2.56444165 -2.46917947 -13.76097729
0.00008009 -0.00006011 0.00014824
0.00631735 0.01883047 0.01613750
15.51243561 -7.36161857 -13.13710147
0.00010423 -0.00003930 -0.00016918
0.00295820 -0.00577398 0.01673298
9.56014288 -3.57418184 6.76369291
0.00019535 -0.00028995 -0.00018731
-0.04444901 -0.00466376 0.00509920
-19.39341415 1.38105054 24.90033864
0.00012077 0.00003152 0.00001635
-0.03062415 -0.00429591 -0.00513451
24.40754667 -1.30062837 -7.36467544
-0.00024545 0.00018730 0.00006530
0.02046994 -0.03094528 -0.02191570
11.65645592 -10.41162375 -11.09211873
0.00004118 -0.00022438 -0.00023113
-0.01566223 0.00318439 0.01167594
-9.03032964 -10.88188625 16.42409132
0.00051896 0.00028613 0.00026026
-0.00793896 -0.00515945 -0.01096023
6.73181117 1.59663219 -27.88454015
0.00025279 -0.00001034 0.00020917
-0.00238724 0.00025254 -0.00439736
12.65893158 18.85654189 13.07643674
-0.00009700 -0.00024779 -0.00022695
0.02886158 -0.00592895 -0.00952127
26.10907763 7.49132787 -11.08511879
-0.00028907 0.00011822 0.00007081
0.02413937 0.00093367 -0.00272032
5.29811687 -29.37971685 -4.54881219
0.00005506 -0.00040116 -0.00054265
-0.00350936 0.00058957 0.00273532
4.19713245 -30.25867545 -1.90411013
0.00052595 0.00089629 -0.00042385
-0.00761704 0.00936360 0.01042612
-10.22372457 1.67495402 -9.06716131
0.00082174 0.00057470 0.00062351
-0.04023222 0.00860299 -0.01161843
-12.13247980 2.77655789 -11.18487753
0.00024399 -0.00003210 0.00032745
0.00445144 -0.00643441 0.00149776
-36.80044984 2.59233923 2.15298581
-0.00068473 -0.00008850 0.00025890
-0.01150853 0.02742591 -0.00968941
-37.68711629 0.32139781 3.69747064
-0.00066570 -0.00013093 0.00090688
-0.00799710 -0.00499639 0.00216336
-8.83184079 -4.52856670 1.67139033
0.00067229 0.00086804 -0.00087170
-0.02089950 -0.01027032 -0.01155811
-6.32819738 -4.87447866 3.11012752
0.00053445 0.00022992 -0.00027959
0.00263336 -0.00517738 0.00287524
2.47845416 0.06493751 7.18585720
0.00056397 0.00029110 0.00022947
0.00875500 -0.00901198 -0.04678045
1.56387050 1.84521677 9.23524321
-0.00004592 0.00047965 -0.00018112
0.00858457 -0.02639625 0.00385094
-30.31124517 -0.40089776 2.40894421
0.00001140 0.00028670 -0.00032711
-0.01254372 0.01293856 0.00999861
-32.70214181 1.33673831 3.01869547
0.00052042 -0.00098079 -0.00043992
-0.03171089 -0.01410231 0.00228495
15.48718239 12.43854696 -18.16927079
-0.00078795 -0.00102488 -0.00051889
-0.03499146 -0.02473076 -0.01053594
18.15330523 12.02324907 -16.80609019
-0.00057134 0.00089820 -0.00050953
-0.01481035 0.02430196 -0.01935802
-3.02347151 6.90028427 6.29998273
-0.00018577 -0.00039408 -0.00046494
0.00048728 0.00053340 0.00541522
-2.94215758 5.58867750 3.75379242
-0.00033094 -0.00037349 0.00009405
-0.00835577 -0.00959907 0.03228449
5.88502028 16.30375208 -8.67839005
-0.00060997 0.00018597 -0.00023200
0.00639775 0.02301653 0.02640183
7.47332896 18.12061935 -6.98699335
-0.00144924 -0.00036311 -0.00031786
-0.00146530 0.00079951 0.00121807
7.61347197 5.97871607 -22.70322404
0.00046949 -0.00066051 -0.00146678
-0.00626752 -0.01605352 -0.03940203
8.56292176 6.59119799 -20.37117812
0.00051609 0.00075383 -0.00072335
0.00052225 0.00420136 0.02576420
19.17474332 21.16658136 -4.07434623
0.00043775 -0.00022566 -0.00046731
-0.01943703 -0.02967714 -0.00345821
19.96318990 19.75825837 -6.28888896
-0.00096271 -0.00002459 -0.00062088
0.01087331 -0.00962729 -0.01841096
2.24840232 12.15286392 -20.60458170
-0.00138944 0.00036532 0.00050314
-0.01290635 -0.00660334 0.00073985
0.11457113 14.31078579 -21.12652695
0.00040838 0.00002996 -0.00074159
0.00726811 -0.00895210 -0.00284056
10.92540680 -6.54003593 -1.00944174
-0.00036992 -0.00038024 0.00059667
-0.00470030 -0.00364284 -0.00804089
9.55963676 -3.81467068 -0.55252070
0.00102626 -0.00066276 0.00006405
0.00978510 -0.03187185 0.00197355
-18.61066605 -4.76351969 6.92797660
0.00087942 -0.00066366 -0.00075677
-0.00320444 -0.00376842 0.01430319
-18.88495367 -5.19644838 4.14533170
0.00068673 -0.00017011 0.00035035
-0.00223674 0.00583693 -0.00311615
-14.61575190 -0.14542491 19.13958037
0.00053168 0.00076236 -0.00008360
0.00718720 -0.02850961 0.01405321
-14.08763737 -0.40624478 22.02978123
0.00019570 -0.00015821 -0.00025759
-0.00163805 -0.00565034 0.00208399
1.70650040 3.53870099 -2.06120414
-0.00121736 0.00021647 0.00006163
0.00436276 -0.01181416 0.01196744
1.95404040 1.99981626 -4.57017649
0.00029008 0.00060447 -0.00066829
-0.00475254 0.01718139 0.00676760
21.60748870 -10.60821118 -6.29775101
0.00057554 -0.00016314 0.00085085
0.00339885 0.00841318 0.04306022
22.63101272 -9.60836836 -3.42900718
0.00022746 -0.00023028 0.00001739
-0.02317105 -0.01722889 -0.03490216
4.63447270 -10.38026049 7.19694195
0.00027211 0.00021380 -0.00091130
0.03410246 0.00088178 -0.01826557
2.95687508 -11.75376561 9.11389036
-0.00019267 -0.00050814 -0.00011732
0.00284235 0.01050893 -0.00410587
-1.97296737 -3.33925878 -20.55449520
0.00007829 -0.00021420 -0.00079907
-0.00248823 0.01557645 0.00882193
-3.42204665 -1.64198781 -18.61136368
0.00037044 0.00024698 -0.00055185
-0.01129161 -0.00508204 0.00935357
0.56822408 5.09417888 -9.93189843
0.00002549 -0.00019500 0.00059587
0.00570393 0.03554311 0.00462404
-1.89344259 3.45600716 -9.76312598
0.00142186 -0.00027694 0.00112823
-0.01989802 0.01281693 0.00858262
-3.59395512 14.58623027 15.54469885
-0.00081696 0.00160297 0.00021008
0.02447849 -0.00207518 0.01389991
-6.37642225 14.46863773 15.64913335
-0.00001501 0.00093044 0.00009421
-0.02469173 -0.00235844 0.01138328
-6.70208869 1.81115190 -6.20783468
-0.00066140 0.00067042 0.00018086
-0.00335389 -0.00953305 0.00240472
-5.12540002 1.25094431 -8.56846025
0.00095381 0.00039709 0.00080475
-0.00380607 -0.00496693 -0.00706374
-10.31370263 -0.50450090 -3.38983456
0.00074354 0.00021905 -0.00013346
0.00267305 0.00961599 0.00057120
-9.03740095 2.27224621 -3.16768500
-0.00107259 -0.00107441 0.00043838
-0.00876836 -0.01751297 -0.00149614
2.46189290 29.06550108 4.96543745
0.00136810 0.00026085 0.00022193
0.00214090 -0.00743472 0.01194809
3.44672722 28.00724260 7.52787774
-0.00028540 -0.00009907 -0.00123477
0.00904052 0.01540253 0.04393816
8.27120575 -10.02927292 -1.39759248
-0.00001324 -0.00105911 0.00044424
0.03474340 -0.01051817 -0.00206983
10.78470191 -11.27107565 -0.11415003
0.00109136 0.00059289 0.00017161
-0.00493775 -0.00382799 0.01390715
-5.29090071 -0.15496331 8.93362234
0.00095583 0.00002163 -0.00007057
-0.01520934 0.02390759 -0.00130356
-8.02512483 -0.30099781 9.36116771
-0.00050359 0.00033028 -0.00024779
-0.02001914 -0.00208850 0.00183748
20.58227951 10.96854231 8.89766911
-0.00015243 0.00061831 0.00019727
-0.00890649 -0.00866615 -0.03528483
22.28676249 11.65012077 6.67460619
0.00022067 -0.00032140 -0.00067714
-0.04131382 -0.02493395 0.00408858
-2.80748793 0.76117535 -22.09370538
-0.00045282 -0.00047113 -0.00136636
0.00973698 -0.02136534 0.05947995
-4.99715806 1.01432856 -24.05184664
0.00077806 0.00007988 -0.00034557
0.04529512 0.00355834 0.01242710
-12.69367607 9.42302710 9.72843121
0.00035497 0.00048115 0.00046181
-0.01509573 -0.00725350 -0.01268752
-13.84018015 10.06185645 7.17575633
0.00093860 -0.00088136 -0.00019999
-0.00854558 -0.01341869 0.00912725
-13.76042833 5.11088103 -4.78414970
-0.00048341 -0.00001712 0.00010413
-0.00443852 0.00006031 0.00838192
-14.45980645 7.66248184 -3.45153703
0.00057830 0.00010935 -0.00011745
0.02128069 -0.02234396 -0.00722929
-3.96370992 -15.55910907 20.21142912
-0.00032695 -0.00029994 -0.00053678
-0.02221881 -0.00063984 0.00082728
-1.46209874 -16.55072871 19.40106804
-0.00018961 -0.00048856 0.00009941
-0.00503309 0.01067784 0.01206642
-6.24753196 5.75016304 -7.70406540
0.00079908 0.00073953 0.00098612
-0.00008881 -0.00266861 0.00093413
-7.10055260 8.64404424 -7.31345206
-0.00103475 -0.00110489 0.00086321
-0.00445766 -0.00196580 0.00489393
-21.20244891 29.91617638 -0.03659043
-0.00052297 -0.00090147 0.00036306
0.02197019 0.00288528 0.02171665
-18.45098838 29.29550849 1.42068388
0.00080390 0.00056002 0.00000787
-0.01095031 0.00489065 -0.01468283
9.13195813 3.02376175 6.53264993
0.00081493 -0.00089821 -0.00039049
-0.02509508 -0.02951789 -0.03941223
9.19537899 5.39599666 8.01870729
-0.00023271 0.00019768 0.00015295
-0.01357111 0.03991705 0.00137203
8.42251820 17.24093714 -12.15303566
-0.00081658 0.00042066 -0.00018967
-0.00861446 -0.01244345 -0.00138569
8.09935541 14.40393197 -11.63248999
0.00093628 0.00087991 -0.00064153
0.01409513 -0.01869011 -0.00336774
12.19929288 6.05214056 -1.50293414
0.00027348 -0.00032820 0.00034214
0.03307290 -0.01955409 0.01225351
13.88361988 4.35114767 0.40534061
0.00036404 -0.00064764 0.00016619
-0.00919159 -0.01055173 0.01825533
-4.14650765 11.11742073 -2.07899400
-0.00016578 0.00009247 0.00117569
0.00729801 0.00309148 -0.01869514
-6.49628632 10.37445279 -0.74169629
-0.00081837 0.00025150 0.00050546
-0.00567798 0.01839540 -0.02195331
7.28415107 14.29902101 4.37067190
-0.00032126 0.00042305 0.00036354
-0.00337781 0.01532320 -0.01130188
9.10362843 11.88736071 3.83453880
-0.00026649 0.00034413 0.00044355
-0.02715518 0.02619930 0.03324259
20.32465981 -12.77594582 -8.98991642
0.00034804 -0.00043952 0.00011445
0.03681814 0.00855778 -0.01113304
23.34589807 -12.41927885 -8.57335194
0.00050062 0.00045130 0.00029020
0.00334603 -0.01001873 0.00700071
19.71193568 -4.86551452 -2.87702207
0.00048567 -0.00027209 0.00014407
0.00633848 -0.00036299 0.01401216
18.33562521 -6.96604388 -1.53663933
-0.00039532 0.00010729 0.00003881
0.02728029 0.01183467 0.01128262
13.63880377 9.50549209 8.44469680
0.00060260 0.00032320 0.00036524
0.00552355 -0.01124261 -0.00036691
14.90692492 7.98995720 10.49444083
0.00021960 -0.00044867 0.00082459
0.00569307 -0.00611661 0.00812535
2.96675064 -14.99512294 17.40916085
0.00031325 -0.00002791 -0.00043330
-0.01276014 -0.02946041 0.00059935
4.03906363 -12.46858002 17.53911030
-0.00056163 0.00101521 -0.00030126
0.00276319 0.01760470 -0.00855244
-2.77315000 -3.93440149 -12.69285517
-0.00002553 0.00050246 -0.00029231
0.00144906 0.00344219 -0.00141434
-1.18270021 -1.39992486 -13.02685110
-0.00025389 0.00075527 -0.00002303
-0.00968868 -0.02018658 -0.01389979
16.14137733 -7.96881875 -14.82580847
-0.00024990 0.00061883 0.00009163
0.00239165 0.00538851 0.02004542
16.51641106 -7.89335918 -11.62539529
-0.00000978 -0.00078311 -0.00055235
-0.00925514 0.00475969 -0.02886508
7.73085761 -4.05043720 6.36475503
0.00020896 0.00030227 0.00094673
0.04207773 0.01391949 0.00105757
10.52490228 -3.80365844 5.25735186
0.00062359 -0.00056441 -0.00027431
0.00284740 -0.00325239 -0.00854006
-21.22454895 1.03940672 25.08826785
-0.00089187 -0.00003849 0.00020324
0.02367500 -0.00848925 -0.00461328
-19.24538474 2.94173918 25.81972908
0.00031563 -0.00001682 -0.00017784
0.00600270 0.00870604 0.00908785
25.47658315 -2.91156174 -7.26281727
-0.00050515 0.00037729 -0.00059385
-0.01332114 0.02751003 0.01009526
24.48589805 -1.08343388 -9.21226680
-0.00147094 -0.00045401 -0.00033497
-0.00672910 0.00959480 0.01227616
11.75922086 -10.02277155 -9.27670160
-0.00076999 0.00025322 -0.00088702
0.00832949 -0.00508659 -0.01104471
12.69249874 -9.20393465 -12.01704452
0.00055171 -0.00050425 -0.00067308
0.00706565 0.00624642 0.00273974
-7.72626142 -10.59931277 17.70974763
-0.00041469 -0.00002027 -0.00043929
0.00627487 -0.00203789 -0.00374260
-10.32988315 -11.50268987 17.55667827
0.00050270 0.00032976 0.00075820
-0.01000452 0.00542608 -0.00283958
7.90056829 2.03403889 -29.23807999
-0.00014786 0.00038227 -0.00058027
0.01795681 -0.00289015 -0.00535451
5.45487748 0.76862719 -28.90493107
-0.00010980 -0.00044201 -0.00022751
-0.01175756 -0.00344699 0.00847139
14.44262099 19.16683056 13.58425191
-0.00047114 0.00009589 -0.00085008
-0.02620364 -0.00778426 -0.00264924
12.85616277 17.79810061 11.56073934
0.00076176 0.00061736 0.00053770
0.00005284 0.00891613 0.01280812
27.83310976 7.70365817 -11.79784013
0.00034125 -0.00015173 0.00047773
-0.01221239 0.00071323 -0.00066263
26.41678723 7.72676271 -9.28307771
-0.00055538 -0.00016095 -0.00032915
-0.00396560 -0.00249568 0.00012749
-7.96168920 4.63042512 6.07544013
0.00012253 0.00018419 0.00003408
0.00287224 -0.00878608 0.00318906
-10.51180279 9.20890322 2.89016780
0.00009547 -0.00004363 0.00005553
0.00933021 -0.00608517 0.01107481
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.07736419
0.27985394
372.89134288
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0608284884
ExchangeOperator: pair fraction: ispin=0: 0.1504164413
ExchangeOperator: bisection time: 1.517 s
total exchange = -52.3314587317 (a.u.)
total exchange computation time: 2.8797929287 s
-154.0552421393
-931.35886728
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0608284884
ExchangeOperator: pair fraction: ispin=0: 0.1504164413
ExchangeOperator: bisection time: 1.611 s
total exchange = -52.3314104061 (a.u.)
total exchange computation time: 2.8841428757 s
-154.0565278879
Anderson extrapolation: theta=1.3400240000 (1.3400240000)
-931.35910616
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0608284884
ExchangeOperator: pair fraction: ispin=0: 0.1504164413
ExchangeOperator: bisection time: 1.606 s
total exchange = -52.3312974661 (a.u.)
total exchange computation time: 2.8793640137 s
-154.0585401574
Anderson extrapolation: theta=0.0492491682 (0.0492491682)
-931.35924775
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0608284884
ExchangeOperator: pair fraction: ispin=0: 0.1504164413
ExchangeOperator: bisection time: 1.606 s
total exchange = -52.3312493996 (a.u.)
total exchange computation time: 2.8787062168 s
-154.0589523416
Anderson extrapolation: theta=1.8809064012 (1.8809064012)
-931.35925285
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0608284884
ExchangeOperator: pair fraction: ispin=0: 0.1504164413
ExchangeOperator: bisection time: 1.606 s
total exchange = -52.3311423450 (a.u.)
total exchange computation time: 2.8793239594 s
-154.0598132195
Anderson extrapolation: theta=0.2177547446 (0.2177547446)
-931.35925812
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0608284884
ExchangeOperator: pair fraction: ispin=0: 0.1504164413
ExchangeOperator: bisection time: 1.604 s
total exchange = -52.3311136378 (a.u.)
total exchange computation time: 2.8798489571 s
-154.0600037855
Anderson extrapolation: theta=1.9118514444 (1.9118514444)
-931.35925911
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0608284884
ExchangeOperator: pair fraction: ispin=0: 0.1504164413
ExchangeOperator: bisection time: 1.605 s
total exchange = -52.3310711079 (a.u.)
total exchange computation time: 2.8812692165 s
-154.0602430448
Anderson extrapolation: theta=0.2887360947 (0.2887360947)
-931.35926036
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0608284884
ExchangeOperator: pair fraction: ispin=0: 0.1504164413
ExchangeOperator: bisection time: 1.604 s
total exchange = -52.3310718480 (a.u.)
total exchange computation time: 2.8806331158 s
-154.0601895268
Anderson extrapolation: theta=1.3016593530 (1.3016593530)
-931.35926064
-69.924221 72.367570 -212.667220
563.006051 1075.135200 -404.287005
493.081830 1147.502770 -616.954225
1393.027212
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0608284884
ExchangeOperator: pair fraction: ispin=0: 0.1504164413
ExchangeOperator: bisection time: 1.514 s
total exchange = -52.3310826596 (a.u.)
total exchange computation time: 2.8804419041 s
678.18780421
-1082.59931725
89.87101533
-389.80495608
-174.68272437
77.62752819
551.60419304
0.00000000
-931.35926082
4.62001527 -30.80333551 -3.57313934
-0.00013876 -0.00015719 0.00011061
0.00919482 -0.01271285 -0.01128319
-12.03899367 2.06173279 -9.47624513
0.00037771 0.00000770 0.00008950
0.03295790 -0.00265053 0.01624869
-36.20764281 1.20836433 3.13003636
0.00015469 0.00036074 -0.00008791
0.01052943 -0.02844911 0.01560879
-7.50647447 -3.63266849 2.51124309
0.00002324 0.00016940 0.00016989
0.01600946 0.01380334 0.00979535
2.25217256 0.10426038 8.92121337
0.00006581 -0.00006983 0.00011709
-0.02249199 0.03379799 0.04846779
-30.94672313 1.34050321 2.76055837
-0.00013666 0.00014824 -0.00012429
0.04915649 0.00493578 -0.01053719
16.98753799 13.27482292 -17.81292476
0.00014491 -0.00014041 -0.00038746
0.03658522 -0.00327863 0.02337124
-3.44436320 5.27449754 5.56283954
0.00007251 -0.00018949 0.00004399
0.00765499 0.00807943 -0.04268424
5.86007960 17.25735707 -6.97241594
0.00002889 -0.00018405 0.00006683
-0.01033634 -0.02779844 -0.03142439
7.14481775 5.62143495 -21.00952971
0.00013510 0.00004803 0.00026707
0.00224584 0.01265582 0.01603264
18.61986754 19.60426784 -5.09441815
-0.00011378 0.00009834 0.00004136
0.01610681 0.03323440 0.02014040
1.90142374 13.88081241 -21.06564243
0.00006799 0.00013168 -0.00031819
0.01191513 0.01638917 0.00193964
10.28171257 -5.41271294 0.26102207
0.00000243 0.00027300 0.00020607
-0.00076577 0.02229739 0.00777755
-18.39958602 -3.90844238 5.35761405
0.00029962 -0.00021697 -0.00005065
0.01030703 -0.00402026 -0.01139523
-14.13893515 -1.44993260 20.51450238
-0.00025409 0.00003684 0.00028264
-0.00640602 0.03867508 -0.02527671
1.59720377 3.68146707 -3.85416539
0.00002610 -0.00008583 -0.00027596
0.00082211 0.00002288 -0.01351059
21.30719265 -10.60054969 -4.41227154
-0.00010862 -0.00016029 -0.00027111
0.01872648 0.01907518 -0.00053929
3.05294590 -10.28613167 7.96619831
0.00000401 -0.00017666 -0.00008930
-0.03122256 -0.00899460 0.01901075
-1.84990680 -1.83465968 -19.44718293
-0.00010224 0.00000548 -0.00005713
0.01747202 -0.01145553 -0.02573446
-0.16609807 3.51047127 -10.14778798
-0.00043178 0.00010828 -0.00051345
0.02780000 -0.04193931 -0.01934064
-5.02892570 14.62304921 14.50201587
0.00007144 -0.00000828 -0.00007994
-0.00371420 0.00383406 -0.03437637
-5.51841269 2.55899001 -7.38643279
0.00022305 0.00029456 0.00005798
0.00065918 0.00786179 0.00898129
-9.16081421 0.68740427 -4.17286654
-0.00015555 0.00017754 0.00012028
0.01073203 0.01492235 0.00234453
2.98122201 27.55700776 5.90685395
-0.00015022 -0.00025179 -0.00006530
-0.01745479 -0.00478423 -0.06175079
10.06722678 -10.59432506 -1.64074649
-0.00018886 -0.00041487 0.00040125
-0.03713440 0.01955679 -0.02800717
-6.80015635 1.01122833 9.20059222
-0.00004349 0.00005028 0.00009790
0.03928198 -0.02582796 -0.00458279
20.46869979 10.82810142 6.98356434
-0.00028398 -0.00007269 -0.00007044
0.04968127 0.02675170 0.03286762
-3.08741497 1.09047392 -23.76759401
-0.00002843 -0.00002755 -0.00002054
-0.05804706 0.01968491 -0.08669357
-13.97281102 8.74516836 8.50276870
0.00038382 0.00020081 0.00005404
0.02530234 0.01801599 0.01291007
-13.39674301 6.10923001 -3.28550809
-0.00026014 -0.00015970 -0.00003059
-0.00962026 0.03102426 -0.01493249
-2.23590920 -15.34437201 20.61361725
-0.00011756 0.00000126 -0.00004569
0.02176502 -0.01683489 -0.01249090
-6.00881925 7.48969994 -8.21810364
0.00008500 0.00023783 0.00030967
0.00612993 0.01754050 -0.01180680
-19.83702709 30.50142740 1.13088661
0.00023447 -0.00028681 -0.00033716
-0.01068897 -0.00414926 -0.00564144
9.89105762 3.77407552 7.91081600
-0.00010868 0.00007716 0.00014159
0.03526521 -0.00825620 0.02795998
7.16552023 15.92426155 -11.77116173
0.00005496 0.00024577 0.00017077
-0.00962630 0.02492498 0.00696883
13.88408493 5.22118932 -1.16272919
-0.00049989 -0.00016507 -0.00008254
-0.01671677 0.01827299 -0.03457388
-5.95580718 11.44135132 -2.20691198
-0.00042932 0.00009996 -0.00012847
0.01397789 -0.02114442 0.05612432
7.94588312 12.83060702 5.15426186
-0.00003656 -0.00046798 0.00018930
0.02647591 -0.03530034 -0.02320152
21.96771972 -12.08443853 -9.70712816
-0.00042161 0.00011576 0.00011508
-0.04718662 -0.00230704 0.01040076
19.94546321 -5.98034432 -1.35840862
-0.00015341 0.00006562 0.00035433
-0.03896339 -0.00723970 -0.01601544
14.61505018 7.96674900 8.68765983
0.00018364 0.00009442 0.00003186
-0.00354372 0.01569971 0.00400271
3.79735406 -13.81989019 16.34042168
-0.00004510 -0.00001574 0.00015944
0.01250045 0.01836093 0.00081695
-2.56321596 -2.47000844 -13.75869139
0.00008350 -0.00004905 0.00015565
0.00694993 0.02417781 0.01265324
15.51401040 -7.36223033 -13.13957469
0.00010529 -0.00004199 -0.00016015
0.00116574 -0.00468600 0.01839810
9.56290169 -3.57854912 6.76090295
0.00017359 -0.00029216 -0.00018486
-0.04015554 -0.00390657 0.00442449
-19.39172076 1.38150677 24.90056403
0.00010350 0.00002877 0.00001375
-0.03651200 -0.00639916 -0.00495376
24.40394381 -1.29793827 -7.36378053
-0.00023520 0.00017173 0.00005340
0.01940647 -0.02958751 -0.02434713
11.65701317 -10.41497720 -11.09554061
0.00003338 -0.00022256 -0.00022645
-0.01467091 0.00389835 0.00653256
-9.02257590 -10.87761416 16.42795299
0.00051286 0.00028289 0.00025374
-0.01575998 -0.00747053 -0.01441980
6.73559376 1.59647805 -27.88141950
0.00025109 -0.00001056 0.00020554
-0.00420393 -0.00109336 -0.00971786
12.65758784 18.85280220 13.07299575
-0.00008284 -0.00024999 -0.00023067
0.02622970 -0.00263607 -0.00493076
26.10483464 7.49310481 -11.08406709
-0.00027615 0.00011862 0.00006838
0.02612978 0.00061681 -0.00672934
5.29883529 -29.38571624 -4.55686810
0.00003982 -0.00040120 -0.00053044
-0.00395239 -0.00060760 0.00324207
4.20478836 -30.24494411 -1.91014836
0.00049358 0.00093505 -0.00037637
-0.00823069 0.00960622 0.01281548
-10.21263131 1.68383817 -9.05816463
0.00065340 0.00061048 0.00057440
-0.04216977 0.00890861 -0.01242204
-12.12868358 2.77587920 -11.17991992
0.00026252 -0.00005686 0.00033009
0.00462264 -0.00568467 -0.00020522
-36.81107345 2.59185215 2.15657244
-0.00073223 0.00002677 0.00021738
-0.01174191 0.02899922 -0.01063412
-37.69734679 0.31928073 3.71114019
-0.00068187 -0.00014206 0.00090903
0.00008017 -0.00045156 -0.00111053
-8.82239690 -4.51586074 1.65796069
0.00058444 0.00082292 -0.00092059
-0.02210352 -0.01181934 -0.01237415
-6.32009988 -4.87118851 3.10602179
0.00054281 0.00021003 -0.00026919
0.00145697 -0.00455840 0.00221267
2.48718199 0.06902789 7.18786571
0.00060000 0.00025401 0.00003876
0.00888197 -0.00914324 -0.04657176
1.56344476 1.85160263 9.23264448
-0.00000900 0.00036682 -0.00016568
0.00948636 -0.02883624 0.00370650
-30.31145853 -0.39620084 2.40434395
-0.00003806 0.00033914 -0.00028629
-0.01166694 0.01273528 0.00998164
-32.69530718 1.32159430 3.01216663
0.00037844 -0.00103688 -0.00042874
-0.03778865 -0.01335231 0.00319073
15.47429084 12.42241595 -18.17737706
-0.00090874 -0.00111366 -0.00055619
-0.02413299 -0.01872660 -0.00772126
18.14428134 12.03746672 -16.81432632
-0.00062674 0.00099073 -0.00058456
-0.01230773 0.02099232 -0.01736857
-3.02624315 6.89438936 6.29317464
-0.00018214 -0.00038568 -0.00043940
0.00129129 0.00358233 0.00708487
-2.94737779 5.58278107 3.75619242
-0.00036403 -0.00041245 0.00022320
-0.00783809 -0.00947291 0.03093877
5.87606682 16.30724692 -8.68106109
-0.00058315 0.00027949 -0.00012338
0.00672714 0.02276281 0.02677286
7.45154545 18.11519718 -6.99172394
-0.00143516 -0.00034920 -0.00031269
0.00835941 0.00600837 0.00131146
7.62032221 5.96831651 -22.72643319
0.00043777 -0.00073146 -0.00160252
-0.00925700 -0.01867982 -0.02704122
8.57067918 6.60263415 -20.38123886
0.00051433 0.00076819 -0.00062047
-0.00138632 0.00283088 0.02459666
19.18071396 21.16228708 -4.08146183
0.00035890 -0.00034385 -0.00047920
-0.01915978 -0.02817902 -0.00236264
19.94908246 19.75759447 -6.29876629
-0.00091674 -0.00006403 -0.00069794
0.01163097 -0.00967941 -0.01931249
2.22716522 12.15814142 -20.59701195
-0.00143915 0.00033427 0.00050664
-0.01142695 -0.00859575 0.00097254
0.12091958 14.31096087 -21.13773778
0.00043280 -0.00000362 -0.00075337
0.00468271 -0.00748752 -0.00292828
10.91971403 -6.54585120 -1.00073806
-0.00038917 -0.00039530 0.00056409
-0.00472570 -0.00372833 -0.00790689
9.57533055 -3.82558871 -0.55149944
0.00106106 -0.00078322 0.00006833
0.00724611 -0.02709289 0.00011851
-18.59757289 -4.77359013 6.91706333
0.00086562 -0.00068184 -0.00069048
-0.00355475 -0.00513011 0.01814450
-18.87472132 -5.19882121 4.15049140
0.00067591 -0.00014970 0.00033207
-0.00305920 0.00415407 -0.00583015
-14.60755644 -0.13486317 19.13875706
0.00056128 0.00064220 -0.00002295
0.00730154 -0.03030928 0.01563274
-14.08475211 -0.40879103 22.02598127
0.00018891 -0.00017713 -0.00024223
-0.00168489 -0.00361378 0.00543561
1.68837366 3.54158604 -2.05991296
-0.00119933 0.00016719 0.00010529
0.00446390 -0.01230995 0.00940189
1.95824601 2.00940978 -4.57999341
0.00027188 0.00066858 -0.00064105
-0.00415724 0.01420396 0.00656358
21.61622599 -10.61040054 -6.28366870
0.00058979 -0.00012912 0.00101422
0.00357365 0.00824275 0.03690734
22.63371454 -9.61235053 -3.42981586
0.00013048 -0.00030254 -0.00012593
-0.02429991 -0.01814020 -0.03525363
4.63959936 -10.37702647 7.18271279
0.00040039 0.00021683 -0.00097957
0.02868940 0.00060199 -0.01515476
2.95407217 -11.76106563 9.11200469
-0.00017954 -0.00046289 -0.00013637
0.00358293 0.01164027 -0.00521879
-1.97186921 -3.34199447 -20.56621097
0.00006807 -0.00014483 -0.00075808
-0.00251725 0.01837836 0.01124596
-3.41683601 -1.63843878 -18.61935475
0.00031453 0.00022699 -0.00050894
-0.01608053 -0.00470716 0.01164868
0.56878116 5.09234297 -9.92281872
0.00004843 -0.00005271 0.00061523
0.00552484 0.03410880 0.00485254
-1.87272441 3.45224577 -9.74593950
0.00131396 -0.00022585 0.00117040
-0.03291950 0.01219407 0.01205780
-3.60545949 14.61021125 15.54827602
-0.00070807 0.00159481 0.00027195
0.02882342 -0.00192024 0.01638583
-6.37740407 14.48252210 15.65089537
-0.00011465 0.00092115 0.00013824
-0.02408130 -0.00218855 0.01016764
-6.71211244 1.82091613 -6.20504802
-0.00066965 0.00063390 0.00018520
-0.00068424 -0.00834642 -0.00028070
-5.11120943 1.25674840 -8.55660540
0.00093926 0.00037163 0.00077210
-0.00332028 -0.00749377 -0.00892055
-10.30246765 -0.50092044 -3.39181889
0.00074736 0.00024969 -0.00012767
-0.00080292 0.00538214 0.00226151
-9.05375842 2.25559339 -3.16115519
-0.00110615 -0.00113502 0.00043715
-0.00765942 -0.01215674 0.00089769
2.48247995 29.06918605 4.96913258
0.00137522 0.00023120 0.00026759
0.00134615 -0.00708218 0.01040009
3.44272331 28.00622850 7.51070262
-0.00024171 -0.00003193 -0.00103457
0.01234576 0.01746273 0.05406119
8.27207176 -10.04548185 -1.39099235
0.00012440 -0.00110050 0.00043721
0.03263273 -0.00974544 -0.00137047
10.80092098 -11.26229958 -0.11114967
0.00107053 0.00057681 0.00022952
-0.00525877 -0.00404312 0.01443885
-5.27702925 -0.15390625 8.93252380
0.00088501 0.00012240 -0.00007438
-0.01946014 0.02541920 -0.00056215
-8.03329211 -0.29610768 9.35750714
-0.00058214 0.00032229 -0.00024086
-0.01842971 -0.00182211 0.00155336
20.57972020 10.97755135 8.89954697
-0.00018830 0.00058228 0.00005008
-0.00865613 -0.00897007 -0.03676617
22.28880661 11.64453571 6.66457445
0.00004912 -0.00042414 -0.00065832
-0.04266524 -0.02535709 0.00512343
-2.81398182 0.75345374 -22.11237808
-0.00040838 -0.00056386 -0.00109759
0.01201338 -0.02402559 0.07208458
-4.98409915 1.01563583 -24.05664939
0.00095447 0.00009420 -0.00029637
0.04105608 0.00345003 0.01165747
-12.68881416 9.43002214 9.73496956
0.00029121 0.00045057 0.00040721
-0.01611286 -0.00771629 -0.01403762
-13.82636301 10.04822488 7.17303612
0.00090402 -0.00093122 -0.00016700
-0.00838063 -0.01098658 0.00702099
-13.76781556 5.11062604 -4.78233090
-0.00050219 -0.00001863 0.00013654
-0.00475422 -0.00080008 0.00748098
-14.45047979 7.66343734 -3.45352033
0.00066265 0.00002116 -0.00014723
0.02000675 -0.02082532 -0.00734751
-3.96929496 -15.56362783 20.20340274
-0.00041148 -0.00030118 -0.00053155
-0.01916014 0.00003440 0.00173595
-1.46509705 -16.55772993 19.40292896
-0.00021041 -0.00044308 0.00014982
-0.00515107 0.01158445 0.01260987
-6.23554849 5.76117427 -7.68924500
0.00079919 0.00072241 0.00098976
0.00014377 -0.00571126 0.00085083
-7.11621043 8.62741060 -7.30035396
-0.00105055 -0.00111126 0.00088130
-0.00327840 -0.00115298 0.00396187
-21.20962022 29.90274269 -0.03047904
-0.00042979 -0.00088887 0.00045321
0.02364360 0.00328419 0.02241157
-18.43926548 29.30405872 1.42035195
0.00075971 0.00057776 -0.00005269
-0.01067831 0.00378897 -0.01496022
9.14341315 3.00938404 6.52558493
0.00071713 -0.00101235 -0.00054296
-0.02277863 -0.02635100 -0.03522330
9.19147248 5.40018497 8.02104362
-0.00028731 0.00035581 0.00015651
-0.01315464 0.03749328 0.00036705
8.41000548 17.24686566 -12.15592314
-0.00084784 0.00037443 -0.00019589
-0.00668683 -0.01018627 -0.00166099
8.11383160 14.41655789 -11.64221613
0.00099415 0.00080164 -0.00065514
0.01422832 -0.01962120 -0.00329454
12.20440852 6.04661835 -1.49742654
0.00039968 -0.00040412 0.00039126
0.02870189 -0.01760840 0.01179100
13.88879878 4.34110976 0.40839280
0.00032573 -0.00068638 0.00023351
-0.00956191 -0.00841222 0.01470089
-4.14877068 11.11890245 -2.06193154
-0.00014142 0.00010604 0.00109853
0.00462323 0.00355317 -0.01907600
-6.50873592 10.37878896 -0.73478714
-0.00083994 0.00032957 0.00041118
-0.00487679 0.01982143 -0.02419765
7.27922868 14.30583632 4.37577867
-0.00032943 0.00047401 0.00032348
-0.00062220 0.00962101 -0.00830654
9.09879902 11.89332545 3.84221070
-0.00037451 0.00044827 0.00057532
-0.02572517 0.02478148 0.03125861
20.33100863 -12.78227641 -8.98854088
0.00049344 -0.00040559 0.00007125
0.03435857 0.00805205 -0.01001071
23.35350984 -12.41281635 -8.56878442
0.00050469 0.00041261 0.00031112
-0.00135152 -0.00892121 0.00324074
19.71941494 -4.86960695 -2.87443158
0.00051122 -0.00027304 0.00020066
0.00616905 -0.00010224 0.01368845
18.33053136 -6.96407195 -1.53571147
-0.00028231 0.00015650 0.00008522
0.02803852 0.01225431 0.01143834
13.64801200 9.50999564 8.45016409
0.00062442 0.00027805 0.00036374
0.00515962 -0.01086000 -0.00036601
14.91039336 7.98303971 10.50705862
0.00024092 -0.00047343 0.00084616
0.00474448 -0.00600310 0.00243569
2.97105832 -14.99644431 17.40267968
0.00025783 -0.00015213 -0.00042473
-0.01436844 -0.03134896 0.00359616
4.03072385 -12.45281247 17.53432939
-0.00055187 0.00108048 -0.00033916
0.00201313 0.01434751 -0.01000312
-2.77348849 -3.92675905 -12.69728316
-0.00002028 0.00050776 -0.00029101
0.00111885 -0.00084739 0.00205134
-1.18680540 -1.38921444 -13.02762253
-0.00029390 0.00067081 -0.00007989
-0.00989957 -0.02115353 -0.01393057
16.13770218 -7.95937115 -14.82381978
-0.00023805 0.00063828 0.00016816
0.00340863 0.00413314 0.01741430
16.51598070 -7.90495996 -11.63456503
-0.00004605 -0.00076372 -0.00066815
-0.00849722 0.00473314 -0.02782141
7.73528145 -4.04547661 6.37898837
0.00037724 0.00035726 0.00094723
0.04029673 0.01300085 -0.00081053
10.53434331 -3.81222426 5.25297556
0.00063024 -0.00057730 -0.00030447
0.00040834 -0.00305603 -0.00622562
-21.23720158 1.03856922 25.09117506
-0.00078274 -0.00007041 0.00018342
0.02974543 -0.00713454 -0.00508733
-19.24046637 2.94175373 25.81733998
0.00033956 0.00001996 -0.00014020
0.00571034 0.00929785 0.00933599
25.46859774 -2.90505943 -7.27141567
-0.00055746 0.00048628 -0.00055093
-0.01228475 0.02584327 0.01091510
24.46362771 -1.08995000 -9.21691510
-0.00149807 -0.00041419 -0.00028154
-0.00654877 0.00989851 0.01387503
11.74792628 -10.01912911 -9.29034530
-0.00073503 0.00023446 -0.00092439
0.00878197 -0.00409700 -0.00724780
12.70099086 -9.21130692 -12.02705684
0.00057769 -0.00048131 -0.00065894
0.00565497 0.00497920 0.00418412
-7.73228953 -10.59967927 17.70304361
-0.00037675 -0.00002544 -0.00044509
0.01229885 -0.00049226 0.00090461
-10.32264916 -11.49757721 17.56796422
0.00046397 0.00035341 0.00074314
-0.00895699 0.00614972 -0.00453252
7.89890071 2.03968437 -29.24694812
-0.00007760 0.00036898 -0.00059746
0.01643242 -0.00361747 -0.00306166
5.45287013 0.76189143 -28.90808414
-0.00015088 -0.00045171 -0.00018687
-0.00834977 -0.00130421 0.01142345
14.43475092 19.16803032 13.57141956
-0.00057197 0.00006651 -0.00085709
-0.02315374 -0.00659696 -0.00078479
12.86759078 17.80763416 11.56919732
0.00076094 0.00064449 0.00057688
-0.00045327 0.00436450 0.00637154
27.83785426 7.70140405 -11.79069449
0.00028656 -0.00014928 0.00047591
-0.01455816 0.00048737 -0.00023050
26.40833508 7.72427193 -9.28801103
-0.00057074 -0.00017004 -0.00032172
-0.00355701 -0.00195137 0.00350970
-7.95984356 4.63316444 6.07595992
0.00012352 0.00018105 0.00003524
0.00269302 -0.00879103 0.00325889
-10.51035446 9.20823825 2.89102001
0.00009769 -0.00004502 0.00005811
0.00976248 -0.00595826 0.01118470
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.07737378
0.28188704
375.60034638
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0608284884
ExchangeOperator: pair fraction: ispin=0: 0.1504164413
ExchangeOperator: bisection time: 1.608 s
total exchange = -52.3409320614 (a.u.)
total exchange computation time: 2.8797039986 s
-154.0864628149
-931.36160067
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0608284884
ExchangeOperator: pair fraction: ispin=0: 0.1504164413
ExchangeOperator: bisection time: 1.605 s
total exchange = -52.3408111571 (a.u.)
total exchange computation time: 2.8797249794 s
-154.0883414257
Anderson extrapolation: theta=1.3397294085 (1.3397294085)
-931.36184245
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0608284884
ExchangeOperator: pair fraction: ispin=0: 0.1504164413
ExchangeOperator: bisection time: 1.605 s
total exchange = -52.3405965260 (a.u.)
total exchange computation time: 2.8789820671 s
-154.0911594419
Anderson extrapolation: theta=0.0493106041 (0.0493106041)
-931.36198578
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0608284884
ExchangeOperator: pair fraction: ispin=0: 0.1504164413
ExchangeOperator: bisection time: 1.604 s
total exchange = -52.3405403157 (a.u.)
total exchange computation time: 2.8802390099 s
-154.0916209626
Anderson extrapolation: theta=1.8787574618 (1.8787574618)
-931.36199096
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0608284884
ExchangeOperator: pair fraction: ispin=0: 0.1504164413
ExchangeOperator: bisection time: 1.606 s
total exchange = -52.3404174657 (a.u.)
total exchange computation time: 2.8822560310 s
-154.0925767641
Anderson extrapolation: theta=0.2174780537 (0.2174780537)
-931.36199633
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0608284884
ExchangeOperator: pair fraction: ispin=0: 0.1504164413
ExchangeOperator: bisection time: 1.604 s
total exchange = -52.3403852095 (a.u.)
total exchange computation time: 2.8821430206 s
-154.0927892773
Anderson extrapolation: theta=1.9074993878 (1.9074993878)
-931.36199734
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0608284884
ExchangeOperator: pair fraction: ispin=0: 0.1504164413
ExchangeOperator: bisection time: 1.603 s
total exchange = -52.3403365902 (a.u.)
total exchange computation time: 2.8800067902 s
-154.0930679106
Anderson extrapolation: theta=0.2876977733 (0.2876977733)
-931.36199864
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0608284884
ExchangeOperator: pair fraction: ispin=0: 0.1504164413
ExchangeOperator: bisection time: 1.603 s
total exchange = -52.3403362101 (a.u.)
total exchange computation time: 2.8803629875 s
-154.0930231890
Anderson extrapolation: theta=1.2981389761 (1.2981389761)
-931.36199894
-69.901567 72.377980 -212.695522
563.006428 1075.144067 -404.312595
493.104861 1147.522047 -617.008118
1393.075113
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0608284884
ExchangeOperator: pair fraction: ispin=0: 0.1504164413
ExchangeOperator: bisection time: 1.605 s
total exchange = -52.3403460657 (a.u.)
total exchange computation time: 2.8807091713 s
678.32380405
-1082.89525841
89.86315649
-389.60631893
-174.70703627
77.78954197
551.60419304
0.00000000
-931.36199913
4.61796933 -30.80574246 -3.57152376
-0.00013380 -0.00016348 0.00010418
0.01008583 -0.01174039 -0.01369819
-12.03320086 2.06183811 -9.47484002
0.00039484 0.00000617 0.00009841
0.03364418 -0.00329694 0.01840099
-36.20528183 1.21366569 3.12877797
0.00015823 0.00034478 -0.00007892
0.00324922 -0.03360645 0.01933917
-7.50606412 -3.63007424 2.51382929
0.00003189 0.00017653 0.00017524
0.01762725 0.01391255 0.01099996
2.25307296 0.10334331 8.92315665
0.00005411 -0.00005201 0.00014140
-0.02298907 0.03550596 0.04606348
-30.94858335 1.34274592 2.75865342
-0.00011048 0.00015082 -0.00012985
0.05264960 0.00509338 -0.01108257
16.98985282 13.27270414 -17.81864644
0.00015998 -0.00014267 -0.00037692
0.02200613 -0.00553317 0.01761513
-3.44324595 5.27168635 5.56333480
0.00007607 -0.00018614 0.00002223
0.00618500 0.00496331 -0.04194194
5.86047308 17.25448908 -6.97153471
0.00002094 -0.00019963 0.00005071
-0.02059689 -0.03277381 -0.03126054
7.14685295 5.62220417 -21.00546182
0.00013742 0.00005546 0.00027254
0.00674799 0.01623880 0.00524499
18.61822300 19.60587115 -5.09372005
-0.00010569 0.00011488 0.00005142
0.01534287 0.03107292 0.01896240
1.90248961 13.88285078 -21.07040776
0.00007448 0.00014012 -0.00031719
0.01330987 0.01643494 0.00195133
10.28174610 -5.40853185 0.26414310
0.00000279 0.00028301 0.00021054
0.00214882 0.01660116 0.00962274
-18.39505198 -3.91171242 5.35681031
0.00030516 -0.00021830 -0.00005663
0.01123697 -0.00115048 -0.01184420
-14.14277121 -1.44923077 20.51864449
-0.00025738 0.00005650 0.00026841
-0.00638757 0.03776365 -0.03006921
1.59759845 3.68017966 -3.85835685
0.00002634 -0.00008485 -0.00028199
0.00009972 0.00381703 -0.00993963
21.30563564 -10.60288041 -4.41634031
-0.00009897 -0.00015028 -0.00026948
0.01879089 0.01982869 0.00687981
3.05288558 -10.28881633 7.96493220
-0.00001053 -0.00018146 -0.00008027
-0.02530716 -0.00964965 0.01608431
-1.85137304 -1.83462164 -19.44813912
-0.00009218 -0.00000110 -0.00007139
0.02167330 -0.01412467 -0.02973814
-0.17246759 3.51193366 -10.15556438
-0.00041423 0.00008762 -0.00052436
0.04045286 -0.03837563 -0.02308585
-5.02786839 14.62293974 14.50068417
0.00006838 -0.00000644 -0.00009759
-0.00821200 0.00332402 -0.03425544
-5.51506432 2.56343873 -7.38552842
0.00022259 0.00029881 0.00006376
-0.00248087 0.00866791 0.01347929
-9.16310605 0.69012486 -4.17105322
-0.00014941 0.00018481 0.00012026
0.01312439 0.01337145 -0.00243737
2.97890138 27.55321246 5.90563624
-0.00015964 -0.00025478 -0.00009859
-0.01918735 -0.00685062 -0.06769917
10.06425065 -10.60047273 -1.63483580
-0.00020703 -0.00040508 0.00038661
-0.03353908 0.01852252 -0.02890197
-6.80065722 1.01188292 9.20204299
-0.00002290 0.00003656 0.00009544
0.04081249 -0.02752311 -0.00495549
20.46463165 10.82711433 6.98263446
-0.00025824 -0.00005884 -0.00005351
0.05044933 0.02709504 0.03298796
-3.08806538 1.09013664 -23.76823645
-0.00005723 -0.00001679 -0.00006714
-0.05393217 0.02216080 -0.09451812
-13.96695616 8.74825007 8.50362904
0.00039689 0.00020934 0.00006161
0.02552525 0.01515244 0.01656089
-13.40068226 6.10695412 -3.28602447
-0.00026465 -0.00014403 -0.00003796
-0.00789333 0.02994458 -0.01374268
-2.23758859 -15.34441809 20.61288365
-0.00010735 -0.00000770 -0.00005245
0.01793497 -0.01798025 -0.01377902
-6.00752064 7.49333499 -8.21350409
0.00008772 0.00024745 0.00030383
0.00445661 0.01986847 -0.01090148
-19.83355120 30.49710920 1.12580752
0.00022857 -0.00028865 -0.00034010
-0.01226781 -0.00300780 -0.00581323
9.88956351 3.77520106 7.91304776
-0.00009157 0.00007279 0.00015475
0.03126470 -0.00872284 0.02320121
7.16630744 15.92804431 -11.76857326
0.00004959 0.00025795 0.00017445
-0.01125506 0.02242375 0.00732551
13.87652215 5.21878373 -1.16410071
-0.00050695 -0.00015694 -0.00009900
-0.01074625 0.01333381 -0.02940634
-5.96219304 11.44276911 -2.20862249
-0.00042146 0.00008871 -0.00009891
0.01656216 -0.02258255 0.05880016
7.94543686 12.82345111 5.15701186
-0.00002425 -0.00048400 0.00017720
0.02138089 -0.02699116 -0.02386209
21.96121349 -12.08271107 -9.70536185
-0.00044375 0.00011455 0.00012099
-0.03889143 -0.00240508 0.01256731
19.94301172 -5.97938793 -1.35315540
-0.00017340 0.00006180 0.00034621
-0.03876852 -0.00763952 -0.01557799
14.61779109 7.96822585 8.68815315
0.00018223 0.00010221 0.00003537
-0.00191890 0.01461349 0.00966363
3.79672581 -13.82005542 16.34281650
-0.00003817 -0.00000510 0.00015965
0.01443281 0.02298420 -0.00001975
-2.56193664 -2.47065089 -13.75630787
0.00008714 -0.00003532 0.00016118
0.00719536 0.02919359 0.00887770
15.51559419 -7.36287824 -13.14190597
0.00010531 -0.00004404 -0.00015032
-0.00108116 -0.00330236 0.01984259
9.56535072 -3.58294654 6.75814712
0.00015435 -0.00029393 -0.00018279
-0.03469319 -0.00298352 0.00362139
-19.39030905 1.38191362 24.90075120
0.00008351 0.00002508 0.00001128
-0.04123277 -0.00793993 -0.00465696
24.40049066 -1.29547643 -7.36307345
-0.00022561 0.00015701 0.00004035
0.01790124 -0.02766556 -0.02640896
11.65745724 -10.41830058 -11.09891210
0.00002612 -0.00022037 -0.00022451
-0.01353386 0.00460697 0.00097886
-9.01494375 -10.87339970 16.43170341
0.00050272 0.00027845 0.00024539
-0.02369896 -0.00977471 -0.01805228
6.73934392 1.59631547 -27.87837382
0.00024854 -0.00001142 0.00019917
-0.00571115 -0.00226039 -0.01507179
12.65644646 18.84904218 13.06951672
-0.00007026 -0.00025046 -0.00023194
0.02269143 0.00082905 -0.00002895
26.10079323 7.49488650 -11.08306730
-0.00026229 0.00011884 0.00006392
0.02774608 0.00023754 -0.01060648
5.29931148 -29.39175287 -4.56472531
0.00002284 -0.00040601 -0.00051626
-0.00436079 -0.00174651 0.00370026
4.21193983 -30.23062405 -1.91540118
0.00045904 0.00097435 -0.00032048
-0.00867699 0.00963546 0.01454077
-10.20412248 1.69326830 -9.04992926
0.00047939 0.00064697 0.00052260
-0.04301164 0.00895432 -0.01293641
-12.12460406 2.77485212 -11.17497488
0.00028162 -0.00007848 0.00032568
0.00472245 -0.00489753 -0.00195089
-36.82241667 2.59314233 2.15950734
-0.00077985 0.00014663 0.00017334
-0.01156923 0.02967470 -0.01092422
-37.70757238 0.31713598 3.72474168
-0.00066622 -0.00013532 0.00089806
0.00758107 0.00374995 -0.00426127
-8.81430765 -4.50387914 1.64377270
0.00049338 0.00077262 -0.00097181
-0.02247195 -0.01279975 -0.01269838
-6.31191309 -4.86817772 3.10205167
0.00054613 0.00019285 -0.00026161
0.00016875 -0.00385385 0.00150108
2.49645416 0.07255793 7.18702002
0.00063585 0.00021657 -0.00014647
0.00866905 -0.00918599 -0.04410102
1.56360041 1.85622123 9.23027291
0.00003097 0.00024565 -0.00015068
0.01008248 -0.03047519 0.00363385
-30.31238692 -0.39072342 2.40035544
-0.00008343 0.00038990 -0.00024581
-0.01054282 0.01210803 0.00983715
-32.69078848 1.30563198 3.00583334
0.00021491 -0.00108994 -0.00041432
-0.04226353 -0.01262156 0.00386584
15.45992027 12.40513726 -18.18595654
-0.00098452 -0.00117744 -0.00058184
-0.01296335 -0.01249666 -0.00483565
18.13450316 12.05297090 -16.82362691
-0.00067092 0.00106851 -0.00065048
-0.00932070 0.01708110 -0.01489920
-3.02893566 6.88871398 6.28680075
-0.00017533 -0.00036515 -0.00040724
0.00204375 0.00646760 0.00865539
-2.95307838 5.57630409 3.76048854
-0.00039449 -0.00045058 0.00034498
-0.00707479 -0.00919352 0.02867297
5.86752564 16.31213680 -8.68209132
-0.00055516 0.00037118 -0.00001439
0.00697663 0.02211967 0.02657424
7.43027425 18.11014324 -6.99637415
-0.00138043 -0.00031349 -0.00030723
0.01842948 0.01147239 0.00136112
7.62660513 5.95677214 -22.75129960
0.00039453 -0.00081230 -0.00168854
-0.01191001 -0.02088741 -0.01506631
8.57835163 6.61424380 -20.38979215
0.00050436 0.00077664 -0.00052288
-0.00349528 0.00130191 0.02317335
19.18551037 21.15626581 -4.08872223
0.00028180 -0.00045469 -0.00048607
-0.01858307 -0.02607910 -0.00100194
19.93568784 19.75633735 -6.30982720
-0.00086890 -0.00010365 -0.00077746
0.01178419 -0.00971518 -0.01961452
2.20522780 12.16289211 -20.58938259
-0.00148291 0.00029586 0.00051093
-0.00999138 -0.01020657 0.00113074
0.12755500 14.31067706 -21.14912807
0.00044624 -0.00003099 -0.00076563
0.00189970 -0.00590747 -0.00307249
10.91373164 -6.55189497 -0.99251895
-0.00040874 -0.00041038 0.00053259
-0.00485191 -0.00365430 -0.00751227
9.59146842 -3.83816716 -0.55047091
0.00108483 -0.00088243 0.00006419
0.00439211 -0.02147234 -0.00214534
-18.58469758 -4.78397497 6.90726206
0.00085061 -0.00070505 -0.00060979
-0.00379212 -0.00622750 0.02135384
-18.86467645 -5.20093946 4.15529379
0.00066170 -0.00013628 0.00030274
-0.00389609 0.00241804 -0.00852661
-14.59891350 -0.12615897 19.13889182
0.00059093 0.00051567 0.00004330
0.00721123 -0.03162558 0.01679893
-14.08197010 -0.41155875 22.02251444
0.00018198 -0.00018764 -0.00021318
-0.00170745 -0.00152750 0.00878269
1.67052050 3.54371666 -2.05804558
-0.00118087 0.00011602 0.00013746
0.00457454 -0.01273639 0.00634823
1.96219683 2.01987380 -4.58940808
0.00025634 0.00071957 -0.00061521
-0.00345015 0.01075299 0.00608637
21.62518230 -10.61208473 -6.26732447
0.00060519 -0.00009596 0.00114985
0.00396834 0.00798967 0.02948726
22.63492711 -9.61744444 -3.43278510
0.00003026 -0.00037746 -0.00026940
-0.02475957 -0.01853800 -0.03497384
4.64648427 -10.37375555 7.16755486
0.00050441 0.00021876 -0.00103391
0.02223115 0.00034132 -0.01144469
2.95148885 -11.76765227 9.10979917
-0.00016346 -0.00041362 -0.00015948
0.00429035 0.01247713 -0.00609342
-1.97092532 -3.34360382 -20.57723752
0.00005766 -0.00006523 -0.00070801
-0.00257547 0.02058675 0.01326099
-3.41261089 -1.63517823 -18.62663191
0.00024029 0.00020844 -0.00045731
-0.02025888 -0.00437196 0.01362422
0.56967683 5.09259746 -9.91344162
0.00006937 0.00008084 0.00063495
0.00472837 0.03126597 0.00479969
-1.85402374 3.44923171 -9.72801403
0.00115506 -0.00017752 0.00122720
-0.04486214 0.01146097 0.01574541
-3.61519737 14.63407454 15.55285742
-0.00058415 0.00158752 0.00034230
0.03183721 -0.00164910 0.01805211
-6.37986175 14.49627235 15.65328052
-0.00021005 0.00091264 0.00017597
-0.02261670 -0.00198040 0.00830172
-6.72217812 1.83016884 -6.20227857
-0.00066690 0.00060221 0.00017863
0.00202889 -0.00716732 -0.00293755
-5.09722233 1.26209323 -8.54529727
0.00092657 0.00033646 0.00073244
-0.00288823 -0.00972365 -0.01049239
-10.29128189 -0.49701013 -3.39366462
0.00073684 0.00026258 -0.00011492
-0.00434753 0.00092438 0.00398087
-9.07058531 2.23819554 -3.15457037
-0.00113514 -0.00117276 0.00044640
-0.00653161 -0.00631557 0.00362999
2.50314951 29.07243698 4.97346508
0.00137896 0.00020359 0.00030652
0.00048302 -0.00643255 0.00865601
3.43947602 28.00628462 7.49684070
-0.00018591 0.00004233 -0.00079772
0.01496605 0.01888949 0.06187742
8.27493770 -10.06228804 -1.38447620
0.00025139 -0.00113817 0.00043325
0.02952844 -0.00869128 -0.00056591
10.81681777 -11.25377129 -0.10726441
0.00104795 0.00056029 0.00028844
-0.00579304 -0.00404593 0.01440223
-5.26435043 -0.15129134 8.93139080
0.00079809 0.00022822 -0.00007538
-0.02308523 0.02638264 0.00007360
-8.04258889 -0.29132921 9.35394178
-0.00065335 0.00031613 -0.00023517
-0.01642985 -0.00119001 0.00123175
20.57663040 10.98601066 8.89917157
-0.00022308 0.00054512 -0.00010128
-0.00836651 -0.00921772 -0.03732681
22.28823595 11.63739660 6.65485670
-0.00012668 -0.00052792 -0.00063563
-0.04338871 -0.02544594 0.00598190
-2.81973945 0.74425970 -22.12663299
-0.00035583 -0.00066639 -0.00078451
0.01371234 -0.02616830 0.08116771
-4.96852407 1.01715454 -24.06073770
0.00111067 0.00010801 -0.00025089
0.03540562 0.00331253 0.01060604
-12.68493974 9.43654428 9.74064759
0.00022418 0.00041852 0.00034791
-0.01670164 -0.00797446 -0.01499100
-13.81305950 10.03391999 7.17074620
0.00087033 -0.00097065 -0.00014332
-0.00811219 -0.00831531 0.00457264
-13.77549416 5.11032202 -4.78005363
-0.00052233 -0.00002390 0.00016504
-0.00510132 -0.00177891 0.00647098
-14.43992700 7.66311653 -3.45595394
0.00074092 -0.00005936 -0.00017760
0.01830648 -0.01858827 -0.00751674
-3.97605425 -15.56814448 20.19548276
-0.00048220 -0.00029954 -0.00052229
-0.01546003 0.00076689 0.00279558
-1.46841106 -16.56402119 19.40556269
-0.00023135 -0.00039459 0.00020175
-0.00509764 0.01215356 0.01281172
-6.22355621 5.77183548 -7.67437246
0.00080042 0.00069333 0.00099298
0.00045905 -0.00852773 0.00072159
-7.13206917 8.61070630 -7.28701305
-0.00106122 -0.00111458 0.00089525
-0.00194285 -0.00046946 0.00286697
-21.21534250 29.88951028 -0.02299413
-0.00033089 -0.00087503 0.00054520
0.02476601 0.00349224 0.02261930
-18.42819701 29.31284116 1.41910318
0.00071710 0.00059071 -0.00011415
-0.01017986 0.00255209 -0.01512450
9.15347216 2.99339138 6.51636123
0.00063029 -0.00111144 -0.00067496
-0.01973168 -0.02215410 -0.02939468
9.18675977 5.40667110 8.02340245
-0.00033902 0.00050129 0.00015570
-0.01215957 0.03371591 -0.00076216
8.39708295 17.25216991 -12.15891242
-0.00087080 0.00033801 -0.00020340
-0.00454892 -0.00763919 -0.00201486
8.12917979 14.42798129 -11.65214417
0.00105135 0.00072151 -0.00066858
0.01377558 -0.01960265 -0.00328288
12.21128319 6.04001699 -1.49119632
0.00050583 -0.00047088 0.00043804
0.02326158 -0.01507344 0.01110947
13.89339167 4.33055631 0.41234595
0.00028590 -0.00071575 0.00028511
-0.00993238 -0.00596392 0.01055623
-4.15075037 11.12060193 -2.04603818
-0.00012814 0.00012140 0.00101987
0.00188150 0.00396734 -0.01942513
-6.52148441 10.38433991 -0.72936097
-0.00085852 0.00041241 0.00030909
-0.00421868 0.02072799 -0.02577382
7.27426816 14.31324127 4.38037637
-0.00032620 0.00050119 0.00029583
0.00220370 0.00368382 -0.00522815
9.09239300 11.90080894 3.85179833
-0.00047549 0.00054569 0.00069754
-0.02370279 0.02290325 0.02856771
20.33946314 -12.78811351 -8.98777885
0.00062702 -0.00037449 0.00003337
0.03102799 0.00717336 -0.00853229
23.36103878 -12.40690061 -8.56401829
0.00048957 0.00037838 0.00031672
-0.00605038 -0.00783213 -0.00050093
19.72727228 -4.87370565 -2.87100218
0.00053597 -0.00027266 0.00025545
0.00594809 0.00028924 0.01312856
18.32715588 -6.96134900 -1.53408261
-0.00016770 0.00020656 0.00013206
0.02806324 0.01225356 0.01148673
13.65753645 9.51383362 8.45560895
0.00064435 0.00023516 0.00036220
0.00459355 -0.01013725 -0.00038786
14.91415258 7.97575431 10.51982569
0.00025842 -0.00049757 0.00084484
0.00382133 -0.00581383 -0.00308124
2.97448542 -14.99968695 17.39641891
0.00019688 -0.00028249 -0.00040508
-0.01546262 -0.03246083 0.00602107
4.02250745 -12.43616561 17.52893542
-0.00054521 0.00113203 -0.00038286
0.00124754 0.01088407 -0.01138621
-2.77375841 -3.91916855 -12.70158542
-0.00001646 0.00049540 -0.00027547
0.00075341 -0.00520573 0.00555368
-1.19151729 -1.37980044 -13.02924771
-0.00033390 0.00058320 -0.00013636
-0.00967760 -0.02173652 -0.01371136
16.13423594 -7.94967025 -14.82076382
-0.00022189 0.00065244 0.00023311
0.00450057 0.00279610 0.01438089
16.51502958 -7.91627066 -11.64543985
-0.00007845 -0.00074487 -0.00077842
-0.00736434 0.00449261 -0.02615753
7.74217493 -4.03971925 6.39317204
0.00053612 0.00040801 0.00093990
0.03747327 0.01183697 -0.00278057
10.54380937 -3.82097738 5.24821771
0.00062672 -0.00058924 -0.00032472
-0.00212850 -0.00278749 -0.00368382
-21.24803122 1.03729447 25.09377049
-0.00065101 -0.00009711 0.00016190
0.03473735 -0.00593726 -0.00544580
-19.23519805 2.94233811 25.81552305
0.00036213 0.00005837 -0.00010199
0.00533752 0.00950218 0.00936636
25.45985944 -2.89697330 -7.27934512
-0.00060483 0.00058729 -0.00050479
-0.01090598 0.02360248 0.01166851
24.44095602 -1.09585949 -9.22071305
-0.00152432 -0.00037312 -0.00022225
-0.00630109 0.01020565 0.01514879
11.73716990 -10.01573777 -9.30443318
-0.00069834 0.00021994 -0.00094552
0.00918083 -0.00300904 -0.00309828
12.70982955 -9.21837405 -12.03681273
0.00059771 -0.00046374 -0.00063878
0.00414130 0.00362196 0.00568457
-7.73756390 -10.60007593 17.69639502
-0.00031397 -0.00002433 -0.00043150
0.01843344 0.00103356 0.00574867
-10.31596411 -11.49208766 17.57897239
0.00042958 0.00038001 0.00072121
-0.00787792 0.00687435 -0.00620138
7.89824021 2.04510816 -29.25600388
-0.00001404 0.00035248 -0.00060494
0.01468015 -0.00445953 -0.00059922
5.45035105 0.75507574 -28.91053710
-0.00017820 -0.00045274 -0.00013453
-0.00502404 0.00080381 0.01419403
14.42546185 19.16882578 13.55853911
-0.00065876 0.00004238 -0.00085601
-0.01933049 -0.00521179 0.00131749
12.87899102 17.81743519 11.57804580
0.00075832 0.00065228 0.00058864
-0.00082914 -0.00054839 -0.00061623
27.84170654 7.69917980 -11.78356297
0.00022306 -0.00014764 0.00047564
-0.01652416 0.00031612 0.00009822
26.39966494 7.72166156 -9.29272925
-0.00058441 -0.00017693 -0.00030045
-0.00313161 -0.00142031 0.00690087
-7.95798347 4.63585657 6.07649721
0.00012445 0.00017790 0.00003642
0.00250237 -0.00878728 0.00333539
-10.50887214 9.20755253 2.89191115
0.00010001 -0.00004639 0.00006072
0.01022281 -0.00582994 0.01128821
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.07738644
0.28461269
379.23213814
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0608284884
ExchangeOperator: pair fraction: ispin=0: 0.1509356409
ExchangeOperator: bisection time: 1.606 s
total exchange = -52.3506833150 (a.u.)
total exchange computation time: 2.8345060349 s
-154.1193411067
-931.36481170
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0608284884
ExchangeOperator: pair fraction: ispin=0: 0.1509356409
ExchangeOperator: bisection time: 1.605 s
total exchange = -52.3504991527 (a.u.)
total exchange computation time: 2.8358111382 s
-154.1217792593
Anderson extrapolation: theta=1.3559772596 (1.3559772596)
-931.36506247
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0608284884
ExchangeOperator: pair fraction: ispin=0: 0.1509356409
ExchangeOperator: bisection time: 1.606 s
total exchange = -52.3501964612 (a.u.)
total exchange computation time: 2.8335280418 s
-154.1253696304
Anderson extrapolation: theta=0.0568706897 (0.0568706897)
-931.36521586
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0608284884
ExchangeOperator: pair fraction: ispin=0: 0.1509356409
ExchangeOperator: bisection time: 1.604 s
total exchange = -52.3501338803 (a.u.)
total exchange computation time: 2.8354580402 s
-154.1258804553
Anderson extrapolation: theta=2.1521377645 (2.0000000000)
-931.36522315
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0608284884
ExchangeOperator: pair fraction: ispin=0: 0.1509356409
ExchangeOperator: bisection time: 1.603 s
total exchange = -52.3499930586 (a.u.)
total exchange computation time: 2.8395509720 s
-154.1269664449
Anderson extrapolation: theta=0.3396541622 (0.3396541622)
-931.36523246
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0608284884
ExchangeOperator: pair fraction: ispin=0: 0.1509356409
ExchangeOperator: bisection time: 1.606 s
total exchange = -52.3499446136 (a.u.)
total exchange computation time: 2.8337390423 s
-154.1272907393
Anderson extrapolation: theta=1.4703728403 (1.4703728403)
-931.36523498
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0608284884
ExchangeOperator: pair fraction: ispin=0: 0.1509356409
ExchangeOperator: bisection time: 1.607 s
total exchange = -52.3498904264 (a.u.)
total exchange computation time: 2.8358149529 s
-154.1275967530
Anderson extrapolation: theta=0.4260716095 (0.4260716095)
-931.36523759
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0608284884
ExchangeOperator: pair fraction: ispin=0: 0.1509356409
ExchangeOperator: bisection time: 1.606 s
total exchange = -52.3498859097 (a.u.)
total exchange computation time: 2.8368420601 s
-154.1275548647
Anderson extrapolation: theta=0.9809966348 (0.9809966348)
-931.36523839
-69.887684 72.389151 -212.715943
563.003966 1075.151457 -404.335144
493.116282 1147.540608 -617.051087
1393.113477
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0608284884
ExchangeOperator: pair fraction: ispin=0: 0.1509356409
ExchangeOperator: bisection time: 1.604 s
total exchange = -52.3498956974 (a.u.)
total exchange computation time: 2.8354268074 s
678.46377010
-1083.20128179
89.85512021
-389.40073530
-174.73221632
77.95735726
551.60419304
0.00000000
-931.36523880
4.61600121 -30.80823999 -3.57001387
-0.00012844 -0.00016924 0.00009672
0.01074649 -0.01063679 -0.01533584
-12.02714850 2.06191799 -9.47329296
0.00041207 0.00000441 0.00010838
0.03335989 -0.00354561 0.02038446
-36.20289578 1.21870778 3.12766877
0.00015812 0.00032652 -0.00006824
-0.00369226 -0.03739284 0.02219658
-7.50551778 -3.62737266 2.51650036
0.00004117 0.00018355 0.00018108
0.01846808 0.01339294 0.01170316
2.25379600 0.10270016 8.92545530
0.00004233 -0.00003352 0.00016394
-0.02285443 0.03639876 0.04158314
-30.95003740 1.34502791 2.75666297
-0.00008304 0.00015360 -0.00013559
0.05404713 0.00569101 -0.01125777
16.99233742 13.27054268 -17.82423224
0.00016750 -0.00014592 -0.00036945
0.00721666 -0.00708929 0.01141841
-3.44208098 5.26891345 5.56350648
0.00007884 -0.00018435 0.00000111
0.00456023 0.00198822 -0.04020308
5.86070767 17.25136825 -6.97089465
0.00000778 -0.00021768 0.00003483
-0.03055832 -0.03744207 -0.03047775
7.14894021 5.62309867 -21.00135346
0.00014197 0.00006462 0.00027272
0.01097071 0.01940049 -0.00456945
18.61669682 19.60771418 -5.09287566
-0.00009791 0.00013016 0.00006063
0.01490171 0.02834119 0.01688237
1.90365817 13.88501595 -21.07515804
0.00008174 0.00014846 -0.00031614
0.01491564 0.01599935 0.00213074
10.28179620 -5.40422270 0.26733837
0.00000474 0.00028984 0.00021602
0.00546043 0.00998128 0.01168683
-18.39043124 -3.91499134 5.35591519
0.00031117 -0.00021829 -0.00006269
0.01212278 0.00118733 -0.01171149
-14.14665654 -1.44823761 20.52255462
-0.00026062 0.00007559 0.00025185
-0.00620574 0.03646959 -0.03432929
1.59799391 3.67892169 -3.86262500
0.00002617 -0.00008181 -0.00028603
-0.00073558 0.00797271 -0.00578933
21.30422359 -10.60505816 -4.42035601
-0.00008952 -0.00014000 -0.00026388
0.01796650 0.02017293 0.01490815
3.05263001 -10.29157544 7.96379017
-0.00002185 -0.00018651 -0.00007291
-0.01870202 -0.00999100 0.01254801
-1.85267208 -1.83469257 -19.44932474
-0.00008015 -0.00000887 -0.00008751
0.02507407 -0.01608865 -0.03292118
-0.17852503 3.51309999 -10.16351888
-0.00039054 0.00006909 -0.00053710
0.05167986 -0.03369220 -0.02644605
-5.02687443 14.62285591 14.49908819
0.00006319 -0.00000488 -0.00011480
-0.01196479 0.00277412 -0.03265633
-5.51173509 2.56795433 -7.38452005
0.00022054 0.00030340 0.00007172
-0.00548480 0.00916276 0.01749950
-9.16529664 0.69294861 -4.16925871
-0.00014206 0.00019122 0.00011772
0.01548819 0.01155799 -0.00745999
2.97643272 27.54936431 5.90389625
-0.00016972 -0.00025870 -0.00013415
-0.02000382 -0.00838171 -0.07059173
10.06101577 -10.60647751 -1.62914807
-0.00022306 -0.00039594 0.00037163
-0.02877274 0.01703896 -0.02936352
-6.80084324 1.01232517 9.20345554
-0.00000176 0.00002201 0.00009283
0.04138654 -0.02906402 -0.00519773
20.46095271 10.82633628 6.98195907
-0.00023225 -0.00004490 -0.00003669
0.05062003 0.02709971 0.03242295
-3.08913186 1.08997033 -23.76960807
-0.00008335 -0.00000494 -0.00011656
-0.04765998 0.02389766 -0.09765962
-13.96090437 8.75144868 8.50461714
0.00040996 0.00021630 0.00007104
0.02530938 0.01189837 0.02010413
-13.40468239 6.10490925 -3.28664687
-0.00026818 -0.00012905 -0.00004468
-0.00583221 0.02829053 -0.01239351
-2.23912961 -15.34460287 20.61204375
-0.00009927 -0.00001717 -0.00005981
0.01349402 -0.01884473 -0.01485614
-6.00618765 7.49712332 -8.20898863
0.00008952 0.00025821 0.00029850
0.00256152 0.02197288 -0.00983732
-19.83016995 30.49276779 1.12068358
0.00022195 -0.00028983 -0.00034305
-0.01349818 -0.00158614 -0.00564133
9.88831060 3.77625930 7.91545850
-0.00007676 0.00006826 0.00016511
0.02633404 -0.00891182 0.01708286
7.16700782 15.93200007 -11.76592828
0.00004349 0.00026856 0.00017833
-0.01243370 0.01881542 0.00778265
13.86887647 5.21648101 -1.16569909
-0.00051067 -0.00015155 -0.00011266
-0.00373822 0.00763816 -0.02371464
-5.96845112 11.44401268 -2.20987938
-0.00041225 0.00007686 -0.00006815
0.01926021 -0.02348738 0.06084175
7.94515555 12.81608697 5.15957778
-0.00001471 -0.00049566 0.00016496
0.01574551 -0.01834512 -0.02370982
21.95440723 -12.08100216 -9.70349858
-0.00046145 0.00011340 0.00012788
-0.02995573 -0.00205496 0.01425747
19.94026113 -5.97849047 -1.34802237
-0.00019311 0.00005783 0.00033838
-0.03787997 -0.00776998 -0.01484509
14.62051719 7.96981542 8.68872102
0.00018170 0.00010936 0.00004172
-0.00015877 0.01316199 0.01503168
3.79620891 -13.82004332 16.34521116
-0.00003040 0.00000771 0.00015956
0.01579952 0.02682873 -0.00033400
-2.56060182 -2.47106812 -13.75385587
0.00009080 -0.00001914 0.00016474
0.00703871 0.03372017 0.00496303
15.51716963 -7.36355162 -13.14408417
0.00010406 -0.00004531 -0.00013980
-0.00375783 -0.00164139 0.02106828
9.56753210 -3.58736698 6.75541922
0.00013818 -0.00029518 -0.00018114
-0.02818673 -0.00188287 0.00279813
-19.38921544 1.38225922 24.90090244
0.00006137 0.00002075 0.00000899
-0.04484657 -0.00892146 -0.00425377
24.39717561 -1.29322802 -7.36257011
-0.00021689 0.00014341 0.00002633
0.01599219 -0.02522378 -0.02810154
11.65779690 -10.42158842 -11.10227603
0.00001948 -0.00021783 -0.00022550
-0.01232238 0.00528638 -0.00482425
-9.00749443 -10.86926065 16.43531457
0.00048852 0.00027285 0.00023516
-0.03151623 -0.01200240 -0.02172364
6.74305002 1.59613545 -27.87544441
0.00024530 -0.00001283 0.00019007
-0.00690874 -0.00322476 -0.02033153
12.65548014 18.84528855 13.06603746
-0.00005971 -0.00024913 -0.00023066
0.01833666 0.00432919 0.00500286
26.09696588 7.49667003 -11.08214935
-0.00024769 0.00011885 0.00005753
0.02902874 -0.00018937 -0.01424377
5.29952041 -29.39789654 -4.57235575
0.00000429 -0.00041529 -0.00050034
-0.00471801 -0.00279507 0.00409185
4.21855953 -30.21571346 -1.91976285
0.00042305 0.00101326 -0.00025907
-0.00894224 0.00940789 0.01551904
-10.19824966 1.70324720 -9.04248670
0.00030404 0.00068311 0.00046932
-0.04282112 0.00873695 -0.01314530
-12.12023511 2.77352489 -11.17014940
0.00030100 -0.00009767 0.00031479
0.00476709 -0.00449977 -0.00337990
-36.83446894 2.59625115 2.16177273
-0.00082583 0.00026739 0.00012949
-0.01094082 0.02943521 -0.01054023
-37.71733335 0.31522105 3.73808200
-0.00062146 -0.00011235 0.00087466
0.01432782 0.00749413 -0.00719266
-8.80759562 -4.49268199 1.62880646
0.00040255 0.00071952 -0.00102323
-0.02199031 -0.01319669 -0.01247229
-6.30371595 -4.86540312 3.09817355
0.00054405 0.00017863 -0.00025698
-0.00118772 -0.00310478 0.00076521
2.50625763 0.07552498 7.18347154
0.00067014 0.00017911 -0.00031743
0.00811601 -0.00914950 -0.03958580
1.56437396 1.85897211 9.22812404
0.00007277 0.00011941 -0.00013585
0.01037947 -0.03131882 0.00362784
-30.31396144 -0.38450394 2.39696980
-0.00012373 0.00043723 -0.00020616
-0.00918427 0.01106364 0.00956762
-32.68885995 1.28889613 2.99973697
0.00003702 -0.00113996 -0.00039769
-0.04481390 -0.01186404 0.00427453
15.44475523 12.38709270 -18.19483237
-0.00101529 -0.00121601 -0.00059586
-0.00209718 -0.00638303 -0.00202730
18.12415375 12.06952192 -16.83384062
-0.00070182 0.00112905 -0.00070524
-0.00580549 0.01255484 -0.01190875
-3.03150291 6.88343499 6.28095732
-0.00016560 -0.00033340 -0.00036898
0.00271659 0.00907190 0.01007337
-2.95921255 5.56926367 3.76654192
-0.00042136 -0.00048727 0.00045566
-0.00607819 -0.00876474 0.02550219
5.85941204 16.31838232 -8.68149292
-0.00052631 0.00045946 0.00009258
0.00714325 0.02109371 0.02579089
7.41013253 18.10579240 -7.00094095
-0.00128504 -0.00025545 -0.00030165
0.02826396 0.01693866 0.00137347
7.63215812 5.94394765 -22.77708936
0.00034133 -0.00090114 -0.00172734
-0.01413207 -0.02260038 -0.00392793
8.58580988 6.62593324 -20.39692524
0.00048556 0.00077863 -0.00043145
-0.00570466 -0.00032718 0.02158040
19.18916789 21.14864625 -4.09604403
0.00020768 -0.00055572 -0.00048683
-0.01769765 -0.02337209 0.00063356
19.92301542 19.75448483 -6.32209022
-0.00082167 -0.00014339 -0.00085693
0.01133664 -0.00973386 -0.01928509
2.18267805 12.16701729 -20.58168394
-0.00152088 0.00025180 0.00051570
-0.00859983 -0.01136133 0.00120176
0.13430686 14.31003121 -21.16070666
0.00044808 -0.00005170 -0.00077859
-0.00099883 -0.00423086 -0.00327271
10.90745189 -6.55816270 -0.98476024
-0.00042900 -0.00042487 0.00050319
-0.00506689 -0.00343552 -0.00688021
9.60787547 -3.85206157 -0.54957387
0.00109635 -0.00095703 0.00004993
0.00124833 -0.01504738 -0.00483151
-18.57205468 -4.79474148 6.89876948
0.00083487 -0.00073213 -0.00051750
-0.00391258 -0.00702957 0.02382446
-18.85487036 -5.20290951 4.15957362
0.00064393 -0.00013017 0.00026241
-0.00479967 0.00057309 -0.01121731
-14.58982862 -0.11939298 19.14005612
0.00061983 0.00038475 0.00011349
0.00693871 -0.03246358 0.01756011
-14.07929274 -0.41442010 22.01958586
0.00017500 -0.00018968 -0.00017070
-0.00170979 0.00052621 0.01201319
1.65294769 3.54506672 -2.05578913
-0.00116190 0.00006324 0.00015647
0.00471096 -0.01310317 0.00295796
1.96593622 2.03099684 -4.59844974
0.00024389 0.00075565 -0.00059184
-0.00264314 0.00690895 0.00535371
21.63438182 -10.61327926 -6.24917308
0.00062271 -0.00006399 0.00125266
0.00460411 0.00765842 0.02083627
22.63462227 -9.62367448 -3.43789776
-0.00007048 -0.00045298 -0.00041043
-0.02455312 -0.01842649 -0.03406321
4.65473166 -10.37046371 7.15169553
0.00058079 0.00021962 -0.00107229
0.01515529 0.00008129 -0.00734166
2.94916846 -11.77347423 9.10722022
-0.00014456 -0.00036155 -0.00018566
0.00495786 0.01301271 -0.00671979
-1.97013927 -3.34395149 -20.58745136
0.00004697 0.00002214 -0.00065060
-0.00265976 0.02218264 0.01484505
-3.40962735 -1.63218562 -18.63307410
0.00015070 0.00019110 -0.00039850
-0.02359387 -0.00411416 0.01516565
0.57086229 5.09476812 -9.90377037
0.00008597 0.00020040 0.00065386
0.00339900 0.02725965 0.00445868
-1.83807251 3.44692004 -9.70912359
0.00095150 -0.00013226 0.00129889
-0.05478416 0.01069544 0.01934914
-3.62298407 14.65783677 15.55854516
-0.00045099 0.00158143 0.00041748
0.03334562 -0.00132995 0.01874461
-6.38370552 14.50990122 15.65617445
-0.00029795 0.00090498 0.00020496
-0.02041167 -0.00176601 0.00589177
-6.73211946 1.83898230 -6.19968915
-0.00065318 0.00057521 0.00016146
0.00468763 -0.00604637 -0.00546910
-5.08341223 1.26684213 -8.53463217
0.00091546 0.00029298 0.00068710
-0.00255223 -0.01155677 -0.01170078
-10.28036257 -0.49304318 -3.39526638
0.00071195 0.00025707 -0.00009524
-0.00783409 -0.00361982 0.00564932
-9.08781250 2.22041062 -3.14776308
-0.00115954 -0.00118592 0.00046738
-0.00541506 -0.00012464 0.00663945
2.52384866 29.07529368 4.97832809
0.00137908 0.00017920 0.00033799
-0.00042130 -0.00550287 0.00675148
3.43714594 28.00749840 7.48677102
-0.00012125 0.00012070 -0.00053504
0.01668741 0.01947485 0.06670817
8.27961333 -10.07962689 -1.37799474
0.00036369 -0.00117098 0.00043280
0.02544617 -0.00737171 0.00034443
10.83235952 -11.24549097 -0.10249650
0.00102273 0.00054413 0.00034610
-0.00655076 -0.00386178 0.01382348
-5.25308642 -0.14705954 8.93026232
0.00069764 0.00033694 -0.00007400
-0.02608995 0.02683468 0.00060169
-8.05289258 -0.28662368 9.35045191
-0.00071561 0.00031320 -0.00023088
-0.01404710 -0.00024593 0.00086937
20.57302784 10.99390505 8.89650856
-0.00025660 0.00050710 -0.00025308
-0.00804176 -0.00939692 -0.03697851
22.28500615 11.62869801 6.64550557
-0.00030418 -0.00063142 -0.00060982
-0.04349955 -0.02521523 0.00665277
-2.82465671 0.73346190 -22.13591344
-0.00029782 -0.00077607 -0.00044352
0.01468606 -0.02751891 0.08575145
-4.95077910 1.01887626 -24.06417601
0.00124077 0.00012120 -0.00021029
0.02827885 0.00314375 0.00926541
-12.68208890 9.44257769 9.74540689
0.00015559 0.00038584 0.00028552
-0.01687143 -0.00802365 -0.01555064
-13.80025315 10.01910548 7.16873652
0.00083792 -0.00099879 -0.00013024
-0.00774973 -0.00546190 0.00183067
-13.78348540 5.10990897 -4.77737977
-0.00054392 -0.00003335 0.00018926
-0.00546882 -0.00284687 0.00538844
-14.42825228 7.66165652 -3.45884821
0.00081145 -0.00012933 -0.00020875
0.01622056 -0.01566375 -0.00773300
-3.98376103 -15.57261413 20.18773410
-0.00053691 -0.00029484 -0.00050848
-0.01132208 0.00153373 0.00396258
-1.47203747 -16.56956760 19.40898160
-0.00025172 -0.00034447 0.00025383
-0.00487456 0.01238121 0.01267864
-6.21153580 5.78197406 -7.65945569
0.00080312 0.00065341 0.00099551
0.00085995 -0.01101263 0.00051679
-7.14804699 8.59397322 -7.27349644
-0.00106616 -0.00111531 0.00090445
-0.00047798 0.00011037 0.00163454
-21.21954697 29.87649190 -0.01412298
-0.00022855 -0.00086074 0.00063708
0.02532957 0.00349879 0.02235676
-18.41775242 29.32178000 1.41692748
0.00067694 0.00059839 -0.00017606
-0.00947741 0.00120899 -0.01518332
9.16232188 2.97604098 6.50533604
0.00055686 -0.00119168 -0.00078079
-0.01621554 -0.01712781 -0.02240772
9.18130184 5.41522355 8.02571456
-0.00038566 0.00062905 0.00015005
-0.01067238 0.02882335 -0.00200072
8.38388163 17.25700597 -12.16202518
-0.00088470 0.00031245 -0.00021251
-0.00225788 -0.00487124 -0.00244353
8.14537222 14.43820333 -11.66227341
0.00110551 0.00064333 -0.00068206
0.01273167 -0.01866969 -0.00331654
12.21958347 6.03249184 -1.48428525
0.00058758 -0.00052609 0.00048161
0.01675410 -0.01195130 0.01021620
13.89737584 4.31963734 0.41694606
0.00024455 -0.00073474 0.00031904
-0.01030863 -0.00333209 0.00605560
-4.15261475 11.12254455 -2.03133532
-0.00012595 0.00013833 0.00093987
-0.00081121 0.00431720 -0.01973781
-6.53449144 10.39116120 -0.72551438
-0.00087472 0.00049792 0.00020192
-0.00371425 0.02113231 -0.02668584
7.26944270 14.32087198 4.38465365
-0.00031173 0.00050453 0.00028063
0.00487832 -0.00205030 -0.00221173
9.08453433 11.90969609 3.86313677
-0.00056687 0.00063442 0.00080720
-0.02102631 0.02053376 0.02511283
20.34981925 -12.79351098 -8.98753974
0.00074524 -0.00034778 0.00000226
0.02684335 0.00590041 -0.00669722
23.36819691 -12.40146486 -8.55928285
0.00045561 0.00034851 0.00030734
-0.01057220 -0.00679206 -0.00408814
19.73549416 -4.87778662 -2.86676818
0.00055973 -0.00027042 0.00030748
0.00568160 0.00080618 0.01234077
18.32550029 -6.95787508 -1.53174977
-0.00005447 0.00025579 0.00017886
0.02736402 0.01184287 0.01142540
13.66734242 9.51705033 8.46103003
0.00066158 0.00019587 0.00036053
0.00384141 -0.00909604 -0.00042924
14.91814600 7.96811260 10.53240391
0.00027226 -0.00052078 0.00082167
0.00295053 -0.00554861 -0.00826216
2.97696487 -15.00491899 17.39052714
0.00013267 -0.00041558 -0.00037692
-0.01597321 -0.03268798 0.00776502
4.01436750 -12.41885171 17.52284363
-0.00054166 0.00116921 -0.00043192
0.00049037 0.00731848 -0.01263028
-2.77398215 -3.91189708 -12.70554732
-0.00001414 0.00046546 -0.00024583
0.00037943 -0.00944999 0.00895673
-1.19682229 -1.37171858 -13.03171321
-0.00037211 0.00049400 -0.00019142
-0.00902934 -0.02192620 -0.01324239
16.13104552 -7.93979799 -14.81682652
-0.00020115 0.00066102 0.00028493
0.00564894 0.00140381 0.01098431
16.51362712 -7.92730603 -11.65791776
-0.00010549 -0.00072745 -0.00088068
-0.00587207 0.00403195 -0.02389594
7.75136500 -4.03323645 6.40718529
0.00068135 0.00045344 0.00092431
0.03361832 0.01040356 -0.00484711
10.55314498 -3.82990133 5.24323410
0.00061279 -0.00059998 -0.00033436
-0.00469185 -0.00247113 -0.00103886
-21.25673195 1.03565586 25.09603217
-0.00050109 -0.00011924 0.00013915
0.03864881 -0.00489559 -0.00569190
-19.22960260 2.94350484 25.81428015
0.00038302 0.00009680 -0.00006411
0.00488989 0.00931116 0.00917771
25.45045276 -2.88744065 -7.28655946
-0.00064586 0.00067798 -0.00045573
-0.00917751 0.02078841 0.01234884
24.41789815 -1.10114351 -9.22358258
-0.00154944 -0.00033079 -0.00015845
-0.00599395 0.01051211 0.01608025
11.72697619 -10.01253083 -9.31871094
-0.00066013 0.00021002 -0.00094922
0.00952272 -0.00184824 0.00128684
12.71892204 -9.22521919 -12.04622024
0.00061142 -0.00045178 -0.00061247
0.00257309 0.00223602 0.00719334
-7.74170855 -10.60040925 17.69009874
-0.00022636 -0.00001715 -0.00039815
0.02444933 0.00248142 0.01057234
-10.30976188 -11.48617680 17.58960050
0.00039957 0.00040953 0.00069261
-0.00681196 0.00757613 -0.00779658
7.89847939 2.05025863 -29.26509636
0.00004208 0.00033237 -0.00060221
0.01279369 -0.00538361 0.00193582
5.44752408 0.74830931 -28.91212017
-0.00019229 -0.00044534 -0.00007140
-0.00187380 0.00281716 0.01670916
14.41498809 19.16930183 13.54573941
-0.00072847 0.00002430 -0.00084590
-0.01479117 -0.00364133 0.00363080
12.89034044 17.82720262 11.58685651
0.00075443 0.00063955 0.00057113
-0.00107415 -0.00568281 -0.00795344
27.84454612 7.69697493 -11.77642544
0.00015238 -0.00014658 0.00047648
-0.01807389 0.00020317 0.00031593
26.39080288 7.71896414 -9.29702455
-0.00059634 -0.00018171 -0.00026556
-0.00271192 -0.00091907 0.01017761
-7.95610994 4.63850152 6.07705241
0.00012531 0.00017476 0.00003762
0.00229485 -0.00877922 0.00341319
-10.50735423 9.20684652 2.89284160
0.00010244 -0.00004773 0.00006335
0.01070876 -0.00570206 0.01138585
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.07731593
0.28792287
383.64279135
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0608284884
ExchangeOperator: pair fraction: ispin=0: 0.1509356409
ExchangeOperator: bisection time: 1.606 s
total exchange = -52.3607352379 (a.u.)
total exchange computation time: 2.8373038769 s
-154.1533892196
-931.36854525
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0608284884
ExchangeOperator: pair fraction: ispin=0: 0.1509356409
ExchangeOperator: bisection time: 1.604 s
total exchange = -52.3604684664 (a.u.)
total exchange computation time: 2.8367731571 s
-154.1563978948
Anderson extrapolation: theta=1.3506814210 (1.3506814210)
-931.36879607
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0608284884
ExchangeOperator: pair fraction: ispin=0: 0.1509356409
ExchangeOperator: bisection time: 1.603 s
total exchange = -52.3600428540 (a.u.)
total exchange computation time: 2.8353779316 s
-154.1607917309
Anderson extrapolation: theta=0.0553194203 (0.0553194203)
-931.36894814
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0608284884
ExchangeOperator: pair fraction: ispin=0: 0.1509356409
ExchangeOperator: bisection time: 1.608 s
total exchange = -52.3599652115 (a.u.)
total exchange computation time: 2.8360159397 s
-154.1613759298
Anderson extrapolation: theta=2.0841657996 (2.0000000000)
-931.36895506
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0608284884
ExchangeOperator: pair fraction: ispin=0: 0.1509356409
ExchangeOperator: bisection time: 1.607 s
total exchange = -52.3597930549 (a.u.)
total exchange computation time: 2.8351271152 s
-154.1626182438
Anderson extrapolation: theta=0.2905521572 (0.2905521572)
-931.36896371
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0608284884
ExchangeOperator: pair fraction: ispin=0: 0.1509356409
ExchangeOperator: bisection time: 1.605 s
total exchange = -52.3597419262 (a.u.)
total exchange computation time: 2.8368918896 s
-154.1629472727
Anderson extrapolation: theta=1.5981426427 (1.5981426427)
-931.36896587
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0608284884
ExchangeOperator: pair fraction: ispin=0: 0.1509356409
ExchangeOperator: bisection time: 1.603 s
total exchange = -52.3596793086 (a.u.)
total exchange computation time: 2.8345251083 s
-154.1633055156
Anderson extrapolation: theta=0.3548730548 (0.3548730548)
-931.36896838
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0608284884
ExchangeOperator: pair fraction: ispin=0: 0.1509356409
ExchangeOperator: bisection time: 1.607 s
total exchange = -52.3596772582 (a.u.)
total exchange computation time: 2.8349418640 s
-154.1632662997
Anderson extrapolation: theta=1.0979253857 (1.0979253857)
-931.36896910
-69.880355 72.399309 -212.729348
562.998722 1075.157433 -404.354305
493.118367 1147.556742 -617.083653
1393.141930
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0608284884
ExchangeOperator: pair fraction: ispin=0: 0.1509356409
ExchangeOperator: bisection time: 1.605 s
total exchange = -52.3596906272 (a.u.)
total exchange computation time: 2.8340229988 s
678.60640158
-1083.51218251
89.84660474
-389.19230183
-174.75780096
78.12762815
551.60419304
0.00000000
-931.36896961
4.61411599 -30.81081957 -3.56862228
-0.00012282 -0.00017437 0.00008864
0.01110761 -0.00932918 -0.01607234
-12.02083878 2.06197052 -9.47158863
0.00042885 0.00000254 0.00011921
0.03189525 -0.00374813 0.02174448
-36.20053822 1.22346141 3.12673081
0.00015453 0.00030672 -0.00005635
-0.01027303 -0.03960192 0.02402338
-7.50482897 -3.62456776 2.51926170
0.00005066 0.00019014 0.00018712
0.01843601 0.01223959 0.01179156
2.25434272 0.10233782 8.92807475
0.00003079 -0.00001482 0.00018367
-0.02200987 0.03631208 0.03515818
-30.95107449 1.34735382 2.75458567
-0.00005553 0.00015676 -0.00014131
0.05291991 0.00661191 -0.01099069
16.99487769 13.26832652 -17.82972994
0.00016743 -0.00014972 -0.00036528
-0.00748057 -0.00766769 0.00478236
-3.44088083 5.26615589 5.56336801
0.00008073 -0.00018403 -0.00001881
0.00279739 -0.00076699 -0.03723679
5.86070650 17.24795857 -6.97048972
-0.00001025 -0.00023793 0.00001956
-0.03956609 -0.04129638 -0.02889918
7.15111210 5.62414283 -20.99728035
0.00014859 0.00007528 0.00026812
0.01475441 0.02202626 -0.01329736
18.61528561 19.60977585 -5.09190103
-0.00009031 0.00014384 0.00006852
0.01466176 0.02488499 0.01380236
1.90494180 13.88730455 -21.07989188
0.00008983 0.00015642 -0.00031493
0.01655523 0.01496090 0.00255033
10.28188843 -5.39983654 0.27062380
0.00000849 0.00029304 0.00022261
0.00909878 0.00245665 0.01391585
-18.38571698 -3.91826110 5.35492972
0.00031758 -0.00021720 -0.00006847
0.01283410 0.00304820 -0.01079064
-14.15058975 -1.44696310 20.52619992
-0.00026371 0.00009388 0.00023330
-0.00583536 0.03466841 -0.03778322
1.59838369 3.67772524 -3.86693781
0.00002555 -0.00007658 -0.00028783
-0.00168395 0.01237542 -0.00119802
21.30295015 -10.60708029 -4.42425670
-0.00008074 -0.00012967 -0.00025403
0.01614353 0.01999039 0.02340915
3.05223017 -10.29441162 7.96274495
-0.00002967 -0.00019164 -0.00006749
-0.01172361 -0.00994936 0.00851876
-1.85377768 -1.83488762 -19.45076433
-0.00006666 -0.00001744 -0.00010497
0.02738973 -0.01725428 -0.03500558
-0.18418377 3.51400639 -10.17167740
-0.00036174 0.00005320 -0.00055134
0.06029332 -0.02808417 -0.02893292
-5.02597278 14.62279348 14.49724029
0.00005633 -0.00000358 -0.00013077
-0.01471143 0.00226829 -0.02944261
-5.50844818 2.57254061 -7.38337669
0.00021702 0.00030813 0.00008158
-0.00821504 0.00924013 0.02084368
-9.16736774 0.69586153 -4.16752175
-0.00013353 0.00019662 0.00011257
0.01766029 0.00944714 -0.01253153
2.97380974 27.54545150 5.90161167
-0.00017993 -0.00026321 -0.00017023
-0.01971064 -0.00914490 -0.06971689
10.05755892 -10.61235084 -1.62368688
-0.00023630 -0.00038768 0.00035654
-0.02272061 0.01507634 -0.02931362
-6.80070997 1.01254320 9.20482798
0.00001941 0.00000676 0.00009014
0.04091066 -0.03023167 -0.00529015
20.45766430 10.82576729 6.98153380
-0.00020640 -0.00003109 -0.00002038
0.04988481 0.02662404 0.03100563
-3.09056602 1.08998838 -23.77173311
-0.00010561 0.00000752 -0.00016614
-0.03887542 0.02454979 -0.09516321
-13.95465733 8.75473909 8.50576034
0.00042277 0.00022149 0.00008223
0.02451155 0.00826761 0.02339311
-13.40872753 6.10308264 -3.28736489
-0.00027056 -0.00011511 -0.00005066
-0.00342940 0.02590102 -0.01087295
-2.24056654 -15.34493304 20.61108924
-0.00009359 -0.00002698 -0.00006765
0.00856297 -0.01931135 -0.01561417
-6.00483489 7.50108116 -8.20454907
0.00009030 0.00026993 0.00029378
0.00044986 0.02362033 -0.00852658
-19.82689283 30.48841415 1.11551612
0.00021480 -0.00029021 -0.00034580
-0.01429594 0.00011947 -0.00508404
9.88726084 3.77724879 7.91800103
-0.00006463 0.00006374 0.00017221
0.02081093 -0.00865406 0.01054273
7.16761228 15.93610098 -11.76322326
0.00003693 0.00027703 0.00018247
-0.01308391 0.01415380 0.00830057
13.86120194 5.21423721 -1.16748042
-0.00051052 -0.00014926 -0.00012328
0.00432868 0.00125748 -0.01760112
-5.97456061 11.44507506 -2.21066689
-0.00040167 0.00006471 -0.00003657
0.02190925 -0.02376133 0.06194961
7.94499571 12.80858131 5.16196078
-0.00000824 -0.00050276 0.00015308
0.00941230 -0.00924490 -0.02249188
21.94736987 -12.07930911 -9.70152532
-0.00047439 0.00011256 0.00013548
-0.02036350 -0.00120169 0.01527716
19.93721831 -5.97765296 -1.34300387
-0.00021214 0.00005388 0.00033103
-0.03609810 -0.00760336 -0.01374275
14.62324207 7.97150655 8.68940486
0.00018210 0.00011565 0.00005072
0.00169751 0.01131315 0.01994382
3.79581389 -13.81982425 16.34760324
-0.00002210 0.00002222 0.00015945
0.01647217 0.02962472 -0.00010216
-2.55921269 -2.47122520 -13.75136557
0.00009426 -0.00000085 0.00016628
0.00641662 0.03741188 0.00101316
15.51871609 -7.36423767 -13.14609983
0.00010135 -0.00004566 -0.00012873
-0.00680588 0.00029451 0.02196625
9.56949603 -3.59180194 6.75271292
0.00012566 -0.00029581 -0.00017989
-0.02048802 -0.00056324 0.00207455
-19.38846781 1.38253600 24.90102087
0.00003771 0.00001606 0.00000694
-0.04718213 -0.00931430 -0.00370827
24.39398394 -1.29117420 -7.36228356
-0.00020928 0.00013123 0.00001157
0.01359232 -0.02211613 -0.02929240
11.65804150 -10.42483548 -11.10567719
0.00001348 -0.00021496 -0.00022949
-0.01099677 0.00588259 -0.01067555
-9.00028824 -10.86521419 16.43875813
0.00047043 0.00026616 0.00022311
-0.03880856 -0.01402342 -0.02514321
6.74670283 1.59593055 -27.87267186
0.00024152 -0.00001468 0.00017834
-0.00776596 -0.00397663 -0.02526526
12.65465527 18.84156832 13.06259680
-0.00005161 -0.00024603 -0.00022682
0.01315755 0.00771234 0.00993423
26.09336247 7.49845209 -11.08134127
-0.00023256 0.00011864 0.00004939
0.02980977 -0.00063854 -0.01743724
5.29944019 -29.40421151 -4.57973542
-0.00001559 -0.00042862 -0.00048299
-0.00501154 -0.00372938 0.00439868
4.22463119 -30.20022631 -1.92317342
0.00038633 0.00105061 -0.00019532
-0.00902874 0.00887481 0.01568921
-10.19500119 1.71376156 -9.03584978
0.00013188 0.00071795 0.00041581
-0.04145502 0.00831891 -0.01304636
-12.11557401 2.77192188 -11.16553107
0.00032041 -0.00011444 0.00029749
0.00473142 -0.00370741 -0.00508844
-36.84719172 2.60116394 2.16339216
-0.00086827 0.00038531 0.00008855
-0.00983152 0.02828835 -0.00950143
-37.72621623 0.31376541 3.75098152
-0.00055096 -0.00007521 0.00083990
0.02018307 0.01068941 -0.00982314
-8.80223129 -4.48229362 1.61307585
0.00031542 0.00066598 -0.00107251
-0.02065693 -0.01300870 -0.01165343
-6.29559161 -4.86281881 3.09434232
0.00053638 0.00016750 -0.00025536
-0.00256538 -0.00234367 0.00002717
2.51655849 0.07793130 7.17749700
0.00070152 0.00014190 -0.00046640
0.00724039 -0.00906656 -0.03333481
1.56578364 1.85980359 9.22619751
0.00011517 -0.00000861 -0.00012090
0.01037180 -0.03134986 0.00368737
-30.31609883 -0.37760642 2.39417053
-0.00015802 0.00047945 -0.00016789
-0.00760068 0.00960111 0.00916897
-32.68967789 1.27143318 2.99390257
-0.00014686 -0.00118671 -0.00037999
-0.04519566 -0.01102089 0.00438927
15.42946165 12.36865694 -18.20383245
-0.00100316 -0.00123033 -0.00059878
0.00803405 -0.00062509 0.00060047
18.11344855 12.08684238 -16.84478417
-0.00071721 0.00116983 -0.00074664
-0.00172567 0.00740560 -0.00835716
-3.03390367 6.87871197 6.27573125
-0.00015335 -0.00029185 -0.00032537
0.00328234 0.01126773 0.01127741
-2.96571923 5.56168610 3.77415823
-0.00044369 -0.00052189 0.00055149
-0.00484924 -0.00818411 0.02140684
5.85173621 16.32592058 -8.67931390
-0.00049698 0.00054273 0.00019505
0.00721478 0.01966830 0.02436902
7.39172300 18.10247967 -7.00542357
-0.00115119 -0.00017576 -0.00029607
0.03725683 0.02207039 0.00135633
7.63684502 5.92973808 -22.80311985
0.00028002 -0.00099586 -0.00172290
-0.01587702 -0.02376792 0.00610002
8.59291851 6.63760262 -20.40273576
0.00045773 0.00077388 -0.00034678
-0.00792114 -0.00199556 0.01986883
19.19174079 21.13959430 -4.10332701
0.00013785 -0.00064438 -0.00048030
-0.01648447 -0.02002892 0.00255899
19.91103779 19.75203576 -6.33553514
-0.00077746 -0.00018313 -0.00093370
0.01030121 -0.00972256 -0.01829586
2.15960125 12.17044617 -20.57391164
-0.00155330 0.00020414 0.00052044
-0.00726813 -0.01196787 0.00111988
0.14099749 14.30912606 -21.17248582
0.00043810 -0.00006547 -0.00079250
-0.00388971 -0.00250983 -0.00353382
10.90086162 -6.56464098 -0.97742319
-0.00045028 -0.00043820 0.00047679
-0.00534932 -0.00308889 -0.00604340
9.62435902 -3.86687818 -0.54897293
0.00109452 -0.00100386 0.00002384
-0.00214494 -0.00787634 -0.00794129
-18.55965156 -4.80593880 6.89173702
0.00081889 -0.00076149 -0.00041709
-0.00391059 -0.00734237 0.02532904
-18.84535842 -5.20484444 4.16316598
0.00062271 -0.00013104 0.00021174
-0.00559073 -0.00099840 -0.01358532
-14.58031848 -0.11461655 19.14229661
0.00064728 0.00025143 0.00018592
0.00649442 -0.03279395 0.01789521
-14.07672017 -0.41724919 22.01739353
0.00016804 -0.00018359 -0.00011553
-0.00169787 0.00245299 0.01499295
1.63566360 3.54561374 -2.05335141
-0.00114231 0.00000908 0.00016124
0.00487592 -0.01340814 -0.00062235
1.96951361 2.04254330 -4.60716329
0.00023491 0.00077540 -0.00057193
-0.00175409 0.00275908 0.00439265
21.64386350 -10.61400443 -6.22974472
0.00064334 -0.00003353 0.00131774
0.00549791 0.00725003 0.01101945
22.63281266 -9.63103380 -3.44509802
-0.00016892 -0.00052694 -0.00054636
-0.02363453 -0.01777861 -0.03247537
4.66390785 -10.36716689 7.13538625
0.00062771 0.00021936 -0.00109345
0.00781417 -0.00021128 -0.00301680
2.94715193 -11.77849869 9.10422943
-0.00012305 -0.00030793 -0.00021386
0.00557348 0.01323109 -0.00708703
-1.96951622 -3.34293967 -20.59675540
0.00003588 0.00011472 -0.00058764
-0.00276793 0.02313746 0.01596987
-3.40808980 -1.62944515 -18.63858685
0.00004968 0.00017459 -0.00033449
-0.02585711 -0.00396934 0.01616470
0.57225606 5.09860942 -9.89382586
0.00009626 0.00030171 0.00067080
0.00163662 0.02233463 0.00383295
-1.82547878 3.44526386 -9.68904732
0.00071351 -0.00009005 0.00138435
-0.06171257 0.00996616 0.02248525
-3.62872715 14.68151748 15.56538168
-0.00031497 0.00157660 0.00049324
0.03323874 -0.00103731 0.01834465
-6.38880024 14.52342186 15.65942947
-0.00037557 0.00089817 0.00022323
-0.01758393 -0.00156964 0.00304726
-6.74177351 1.84742519 -6.19743491
-0.00062887 0.00055261 0.00013436
0.00721189 -0.00501707 -0.00779349
-5.06975855 1.27088276 -8.52468417
0.00090544 0.00024303 0.00063773
-0.00235351 -0.01289637 -0.01246759
-10.26992336 -0.48929806 -3.39652191
0.00067325 0.00023316 -0.00006905
-0.01111039 -0.00808222 0.00717266
-9.10537156 2.20261806 -3.14054888
-0.00117945 -0.00117343 0.00050102
-0.00433073 0.00623671 0.00982573
2.54452199 29.07781312 4.98360486
0.00137548 0.00015914 0.00036143
-0.00134247 -0.00432006 0.00472201
3.43583857 28.00990572 7.48078963
-0.00005174 0.00019940 -0.00025974
0.01733945 0.01904852 0.06804946
8.28584846 -10.09741752 -1.37149217
0.00045731 -0.00119790 0.00043628
0.02038128 -0.00580644 0.00135900
10.84749980 -11.23744732 -0.09688140
0.00099398 0.00052906 0.00040034
-0.00752642 -0.00351692 0.01272913
-5.24342136 -0.14118314 8.92917071
0.00058623 0.00044646 -0.00007068
-0.02844349 0.02677382 0.00102641
-8.06405717 -0.28193322 9.34701531
-0.00076758 0.00031463 -0.00022806
-0.01139324 0.00094689 0.00051101
20.56893243 11.00122354 8.89157927
-0.00028872 0.00046852 -0.00040150
-0.00768211 -0.00948497 -0.03567625
22.27911043 11.61845408 6.63656215
-0.00048078 -0.00073328 -0.00058169
-0.04294446 -0.02464883 0.00711498
-2.82867392 0.72097757 -22.13993852
-0.00023749 -0.00088917 -0.00009425
0.01484136 -0.02784146 0.08521791
-4.93130104 1.02079064 -24.06704647
0.00133857 0.00013362 -0.00017579
0.01959831 0.00293495 0.00762478
-12.68027205 9.44811936 9.74921315
0.00008719 0.00035338 0.00022170
-0.01660968 -0.00786587 -0.01568678
-13.78792175 10.00395624 7.16683903
0.00080718 -0.00101507 -0.00012880
-0.00729935 -0.00250480 -0.00112558
-13.79181180 5.10932145 -4.77437568
-0.00056703 -0.00004726 0.00020899
-0.00584189 -0.00396207 0.00426653
-14.41558345 7.65923653 -3.46221642
0.00087272 -0.00018599 -0.00024087
0.01377097 -0.01206772 -0.00798915
-3.99216170 -15.57698979 20.18022830
-0.00057420 -0.00028699 -0.00048978
-0.00692704 0.00231010 0.00519000
-1.47596263 -16.57435521 19.41317753
-0.00027082 -0.00029414 0.00030466
-0.00447565 0.01225234 0.01220535
-6.19946269 5.79143771 -7.64450726
0.00080762 0.00060423 0.00099698
0.00134318 -0.01306065 0.00020410
-7.16405410 8.57724691 -7.25987965
-0.00106492 -0.00111384 0.00090837
0.00108872 0.00060827 0.00028525
-21.22219909 29.86368794 -0.00388166
-0.00012512 -0.00084688 0.00072692
0.02530198 0.00328582 0.02162027
-18.40788867 29.33079294 1.41382125
0.00064002 0.00060043 -0.00023799
-0.00859930 -0.00021139 -0.01513186
9.17017782 2.95764088 6.49293757
0.00049809 -0.00125049 -0.00085665
-0.01254943 -0.01165845 -0.01472725
9.17518985 5.42554248 8.02790406
-0.00042542 0.00073514 0.00013936
-0.00878885 0.02310927 -0.00323472
8.37054193 17.26154350 -12.16528769
-0.00088907 0.00029853 -0.00022348
0.00011807 -0.00194342 -0.00292494
8.16234494 14.44728117 -11.67260590
0.00115421 0.00057071 -0.00069569
0.01110778 -0.01687872 -0.00335797
12.22891054 6.02423423 -1.47674806
0.00064061 -0.00056736 0.00052111
0.00920713 -0.00825005 0.00912085
13.90072823 4.30851417 0.42191729
0.00020168 -0.00074283 0.00033430
-0.01067796 -0.00063142 0.00140972
-4.15452884 11.12475176 -2.01784210
-0.00013446 0.00015652 0.00085870
-0.00335495 0.00458824 -0.01999397
-6.54772610 10.39927760 -0.72330327
-0.00088921 0.00058405 0.00009243
-0.00337658 0.02102694 -0.02690991
7.26491621 14.32837703 4.38879538
-0.00028648 0.00048467 0.00027743
0.00748050 -0.00767151 0.00064571
9.07538704 11.91984168 3.87601427
-0.00064577 0.00071234 0.00090100
-0.01760014 0.01760716 0.02080226
20.36182048 -12.79854684 -8.98771108
0.00084463 -0.00032713 -0.00002062
0.02180736 0.00420581 -0.00450191
23.37470712 -12.39644538 -8.55479797
0.00040385 0.00032274 0.00028385
-0.01476650 -0.00582335 -0.00741137
19.74406424 -4.88181818 -2.86177786
0.00058232 -0.00026582 0.00035583
0.00537301 0.00144493 0.01132738
18.32552173 -6.95367535 -1.52871670
0.00005438 0.00030248 0.00022517
0.02592106 0.01101510 0.01124314
13.67738382 9.51970958 8.46642481
0.00067539 0.00016143 0.00035867
0.00292159 -0.00775920 -0.00048210
14.92232024 7.96013083 10.54447578
0.00028266 -0.00054276 0.00077829
0.00214076 -0.00521183 -0.01297507
2.97846538 -15.01215435 17.38511126
0.00006767 -0.00054759 -0.00034319
-0.01584463 -0.03193112 0.00874778
4.00625761 -12.40108929 17.51597779
-0.00054114 0.00119182 -0.00048564
-0.00023586 0.00374869 -0.01366546
-2.77418264 -3.90520477 -12.70896030
-0.00001330 0.00041885 -0.00020280
0.00003075 -0.01336476 0.01210447
-1.20268066 -1.36498051 -13.03499028
-0.00040677 0.00040490 -0.00024403
-0.00793717 -0.02168932 -0.01251291
16.12820131 -7.92983969 -14.81221603
-0.00017565 0.00066385 0.00032222
0.00683334 -0.00001778 0.00727312
16.51186479 -7.93809429 -11.67186016
-0.00012571 -0.00071240 -0.00097246
-0.00402282 0.00333729 -0.02103479
7.76261541 -4.02611605 6.42090149
0.00080847 0.00049263 0.00090018
0.02860803 0.00877943 -0.00696869
10.56219304 -3.83897673 5.23818682
0.00058852 -0.00060934 -0.00033322
-0.00718893 -0.00211361 0.00159920
-21.26306403 1.03371721 25.09794501
-0.00033745 -0.00013743 0.00011564
0.04145676 -0.00400863 -0.00581588
-19.22370747 2.94524221 25.81359971
0.00040192 0.00013363 -0.00002745
0.00436302 0.00871617 0.00876830
25.44048362 -2.87663396 -7.29301698
-0.00067909 0.00075596 -0.00040407
-0.00708717 0.01738381 0.01293967
24.39447295 -1.10578329 -9.22546662
-0.00157319 -0.00028724 -0.00009163
-0.00563290 0.01080904 0.01662926
11.71736608 -10.00943717 -9.33290984
-0.00062065 0.00020492 -0.00093481
0.00980115 -0.00064789 0.00576773
12.72817223 -9.23192730 -12.05518689
0.00061871 -0.00044543 -0.00058007
0.00099600 0.00086956 0.00866811
-7.74435479 -10.60059049 17.68445041
-0.00011503 -0.00000436 -0.00034572
0.03004832 0.00378068 0.01509306
-10.30397712 -11.47980163 17.59975079
0.00037383 0.00044182 0.00065774
-0.00578623 0.00822836 -0.00927581
7.89950266 2.05507916 -29.27407021
0.00009033 0.00030840 -0.00058910
0.01082453 -0.00634896 0.00448331
5.44458226 0.74171554 -28.91267919
-0.00019403 -0.00043002 0.00000134
0.00102141 0.00468281 0.01890086
14.40360783 19.16955472 13.53316222
-0.00077829 0.00001298 -0.00082599
-0.00959702 -0.00189682 0.00611274
12.90162403 17.83662176 11.59517978
0.00074978 0.00060581 0.00052350
-0.00120261 -0.01083636 -0.01536526
27.84627802 7.69478250 -11.76926854
0.00007632 -0.00014587 0.00047800
-0.01916017 0.00014267 0.00042729
26.38177461 7.71621039 -9.30069610
-0.00060662 -0.00018453 -0.00021780
-0.00231789 -0.00046285 0.01320325
-7.95422408 4.64109934 6.07762593
0.00012610 0.00017162 0.00003886
0.00208718 -0.00875780 0.00349410
-10.50579903 9.20612066 2.89381169
0.00010498 -0.00004904 0.00006600
0.01120123 -0.00556496 0.01147624
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.07734629
0.29162332
388.57345217
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0608284884
ExchangeOperator: pair fraction: ispin=0: 0.1509356409
ExchangeOperator: bisection time: 1.605 s
total exchange = -52.3706774296 (a.u.)
total exchange computation time: 2.8355829716 s
-154.1879066971
-931.37236515
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0608284884
ExchangeOperator: pair fraction: ispin=0: 0.1509356409
ExchangeOperator: bisection time: 1.605 s
total exchange = -52.3703506090 (a.u.)
total exchange computation time: 2.8371798992 s
-154.1914471119
Anderson extrapolation: theta=1.3382289309 (1.3382289309)
-931.37261053
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0608284884
ExchangeOperator: pair fraction: ispin=0: 0.1509356409
ExchangeOperator: bisection time: 1.604 s
total exchange = -52.3698460322 (a.u.)
total exchange computation time: 2.8363299370 s
-154.1965476770
Anderson extrapolation: theta=0.0500545576 (0.0500545576)
-931.37275591
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0608284884
ExchangeOperator: pair fraction: ispin=0: 0.1509356409
ExchangeOperator: bisection time: 1.607 s
total exchange = -52.3697651955 (a.u.)
total exchange computation time: 2.8361909389 s
-154.1971700722
Anderson extrapolation: theta=1.8905275157 (1.8905275157)
-931.37276131
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0608284884
ExchangeOperator: pair fraction: ispin=0: 0.1509356409
ExchangeOperator: bisection time: 1.605 s
total exchange = -52.3695938254 (a.u.)
total exchange computation time: 2.8363459110 s
-154.1984460982
Anderson extrapolation: theta=0.2221621879 (0.2221621879)
-931.37276704
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0608284884
ExchangeOperator: pair fraction: ispin=0: 0.1509356409
ExchangeOperator: bisection time: 1.608 s
total exchange = -52.3695505920 (a.u.)
total exchange computation time: 2.8354249001 s
-154.1987367445
Anderson extrapolation: theta=1.9064989250 (1.9064989250)
-931.37276818
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0608284884
ExchangeOperator: pair fraction: ispin=0: 0.1509356409
ExchangeOperator: bisection time: 1.606 s
total exchange = -52.3694839814 (a.u.)
total exchange computation time: 2.8335120678 s
-154.1991521896
Anderson extrapolation: theta=0.2919818118 (0.2919818118)
-931.37276971
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0608284884
ExchangeOperator: pair fraction: ispin=0: 0.1509356409
ExchangeOperator: bisection time: 1.603 s
total exchange = -52.3694811248 (a.u.)
total exchange computation time: 2.8345260620 s
-154.1991347748
Anderson extrapolation: theta=1.3054193020 (1.3054193020)
-931.37277008
-25.501733 72.409418 -212.734854
562.990756 1075.162084 -404.369930
537.489023 1147.571502 -617.104784
1409.479733
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0608284884
ExchangeOperator: pair fraction: ispin=0: 0.1509356409
ExchangeOperator: bisection time: 1.604 s
total exchange = -52.3694902007 (a.u.)
total exchange computation time: 2.8714349270 s
678.74847167
-1083.82209310
89.83812675
-388.98446250
-174.78332300
78.29733878
551.60419304
0.00000000
-931.37277038
4.61231646 -30.81347113 -3.56735469
-0.00011708 -0.00017879 0.00008041
0.01121571 -0.00785374 -0.01592980
-12.01428300 2.06199414 -9.46971655
0.00044461 0.00000063 0.00013063
0.02940452 -0.00365990 0.02264127
-36.19825991 1.22790951 3.12597818
0.00014768 0.00028616 -0.00004377
-0.01634804 -0.04036904 0.02492543
-7.50399793 -3.62166843 2.52211402
0.00005993 0.00019601 0.00019306
0.01760050 0.01057598 0.01128832
2.25471965 0.10225561 8.93096543
0.00001984 0.00000362 0.00019976
-0.02057364 0.03539342 0.02740202
-30.95170332 1.34973073 2.75242358
-0.00002922 0.00016046 -0.00014679
0.04940890 0.00779228 -0.01032599
16.99736025 13.26605121 -17.83519075
0.00015994 -0.00015353 -0.00036460
-0.02165634 -0.00716461 -0.00212880
-3.43965910 5.26339241 5.56294227
0.00008169 -0.00018504 -0.00003691
0.00094593 -0.00315821 -0.03315036
5.86040009 17.24423030 -6.97030773
-0.00003252 -0.00025988 0.00000529
-0.04701523 -0.04405601 -0.02662424
7.15339782 5.62535692 -20.99330983
0.00015701 0.00008713 0.00025936
0.01801280 0.02408271 -0.02077261
18.61398751 19.61202950 -5.09081991
-0.00008278 0.00015559 0.00007460
0.01461061 0.02079702 0.00981188
1.90635314 13.88970857 -21.08460604
0.00009875 0.00016369 -0.00031348
0.01813499 0.01329632 0.00311439
10.28205086 -5.39543143 0.27401659
0.00001416 0.00029220 0.00023039
0.01294352 -0.00571970 0.01635885
-18.38090371 -3.92150734 5.35386101
0.00032430 -0.00021528 -0.00007361
0.01326393 0.00442060 -0.00917692
-14.15456798 -1.44542114 20.52955372
-0.00026658 0.00011117 0.00021321
-0.00529765 0.03256638 -0.04035322
1.59876047 3.67662426 -3.87125986
0.00002442 -0.00006905 -0.00028721
-0.00271461 0.01691046 0.00359319
21.30180125 -10.60894819 -4.42797679
-0.00007316 -0.00011956 -0.00023974
0.01335297 0.01932594 0.03215555
3.05173989 -10.29732456 7.96176545
-0.00003391 -0.00019665 -0.00006421
-0.00476798 -0.00955424 0.00422775
-1.85467198 -1.83521578 -19.45247398
-0.00005229 -0.00002641 -0.00012324
0.02850098 -0.01761950 -0.03601296
-0.18937737 3.51469613 -10.18005913
-0.00032940 0.00004032 -0.00056656
0.06550340 -0.02200905 -0.03023734
-5.02518462 14.62274854 14.49516524
0.00004834 -0.00000250 -0.00014473
-0.01634929 0.00191285 -0.02485273
-5.50522464 2.57719818 -7.38207252
0.00021219 0.00031279 0.00009297
-0.01056649 0.00889697 0.02342713
-9.16930261 0.69884733 -4.16588147
-0.00012396 0.00020089 0.00010488
0.01954395 0.00713353 -0.01739426
2.97103469 27.54146814 5.89878924
-0.00018972 -0.00026789 -0.00020493
-0.01832621 -0.00905958 -0.06522073
10.05392678 -10.61810786 -1.61845183
-0.00024615 -0.00038052 0.00034158
-0.01557568 0.01276956 -0.02888520
-6.80026108 1.01252801 9.20615962
0.00004010 -0.00000900 0.00008742
0.03954850 -0.03106366 -0.00527119
20.45476072 10.82540369 6.98134774
-0.00018113 -0.00001762 -0.00000499
0.04838002 0.02573287 0.02884268
-3.09230010 1.09019582 -23.77459230
-0.00012275 0.00002003 -0.00021309
-0.02778597 0.02409504 -0.08739859
-13.94822119 8.75809327 8.50708401
0.00043505 0.00022474 0.00009502
0.02324391 0.00439119 0.02633106
-13.41279912 6.10145584 -3.28816679
-0.00027164 -0.00010257 -0.00005584
-0.00078534 0.02288153 -0.00924625
-2.24193740 -15.34541219 20.61001427
-0.00009052 -0.00003693 -0.00007579
0.00339207 -0.01941077 -0.01605576
-6.00347866 7.50522123 -8.20017528
0.00008995 0.00028238 0.00028978
-0.00180203 0.02477588 -0.00701322
-19.82372600 30.48406143 1.11030944
0.00020736 -0.00028965 -0.00034818
-0.01464374 0.00205730 -0.00416155
9.88637164 3.77817152 7.92062490
-0.00005541 0.00005943 0.00017591
0.01505398 -0.00810926 0.00383217
7.16811579 15.94031109 -11.76045420
0.00003017 0.00028291 0.00018687
-0.01320221 0.00871577 0.00880629
13.85356081 5.21200311 -1.16939754
-0.00050600 -0.00015038 -0.00013074
0.01325183 -0.00558204 -0.01140598
-5.98050108 11.44595412 -2.21097648
-0.00038974 0.00005257 -0.00000462
0.02446581 -0.02346160 0.06228805
7.94490848 12.80100432 5.16417027
-0.00000517 -0.00050513 0.00014212
0.00251047 0.00002028 -0.02014230
21.94017540 -12.07762532 -9.69943421
-0.00048232 0.00011230 0.00014342
-0.01044044 0.00016769 0.01560864
19.93389701 -5.97687410 -1.33809138
-0.00023005 0.00005009 0.00032433
-0.03357187 -0.00714286 -0.01233620
14.62598004 7.97328494 8.69024256
0.00018346 0.00012092 0.00006209
0.00360472 0.00916382 0.02429373
3.79554595 -13.81937664 16.34999454
-0.00001363 0.00003789 0.00015958
0.01647284 0.03130515 0.00062720
-2.55777407 -2.47109367 -13.74886746
0.00009727 0.00001908 0.00016583
0.00530218 0.04010932 -0.00277583
15.52021004 -7.36492144 -13.14794604
0.00009698 -0.00004495 -0.00011729
-0.01017667 0.00245410 0.02253056
9.57130190 -3.59624125 6.75002261
0.00011734 -0.00029573 -0.00017897
-0.01185395 0.00088294 0.00147753
-19.38808417 1.38274091 24.90111069
0.00001314 0.00001131 0.00000520
-0.04835233 -0.00914116 -0.00307580
24.39089713 -1.28929100 -7.36222299
-0.00020301 0.00012080 -0.00000368
0.01079017 -0.01844965 -0.03001317
11.65820126 -10.42803715 -11.10916070
0.00000817 -0.00021180 -0.00023644
-0.00965831 0.00640346 -0.01636002
-8.99338145 -10.86127593 16.44200772
0.00044881 0.00025850 0.00020941
-0.04527621 -0.01576474 -0.02809391
6.75029572 1.59569498 -27.87009422
0.00023739 -0.00001686 0.00016418
-0.00830006 -0.00450898 -0.02979935
12.65393192 18.83790758 13.05923279
-0.00004633 -0.00024129 -0.00022054
0.00737902 0.01073753 0.01449695
26.08998904 7.50022923 -11.08066772
-0.00021714 0.00011820 0.00003974
0.03017780 -0.00108376 -0.02009030
5.29905284 -29.41075503 -4.58684550
-0.00003651 -0.00044548 -0.00046459
-0.00522934 -0.00452747 0.00460847
4.23014952 -30.18419524 -1.92562245
0.00034961 0.00108512 -0.00013250
-0.00894732 0.00802079 0.01506378
-10.19429334 1.72478575 -9.03001241
-0.00003246 0.00075062 0.00036339
-0.03898767 0.00767071 -0.01261441
-12.11062294 2.77009166 -11.16122459
0.00033955 -0.00012811 0.00027369
0.00464051 -0.00298203 -0.00656229
-36.86051704 2.60781043 2.16442928
-0.00090522 0.00049692 0.00005304
-0.00825474 0.02634825 -0.00788277
-37.73386217 0.31296488 3.76327902
-0.00045843 -0.00002617 0.00079509
0.02511043 0.01331177 -0.01210986
-8.79813294 -4.47270249 1.59663105
0.00023529 0.00061429 -0.00111728
-0.01856851 -0.01229700 -0.01025942
-6.28762449 -4.86037812 3.09051275
0.00052313 0.00015943 -0.00025672
-0.00392163 -0.00160882 -0.00069061
2.52730309 0.07978197 7.16947950
0.00072875 0.00010511 -0.00058725
0.00609080 -0.00894397 -0.02582144
1.56782897 1.85871375 9.22449697
0.00015693 -0.00013513 -0.00010559
0.01006973 -0.03057988 0.00380823
-30.31870203 -0.37012048 2.39193319
-0.00018544 0.00051491 -0.00013147
-0.00582067 0.00775546 0.00865535
-32.69326570 1.25329480 2.98833717
-0.00032789 -0.00122972 -0.00036239
-0.04341996 -0.01003039 0.00422534
15.41466046 12.35018288 -18.21279573
-0.00095177 -0.00122221 -0.00059148
0.01712333 0.00459867 0.00297314
18.10263758 12.10461670 -16.85623989
-0.00071480 0.00118841 -0.00077241
0.00290524 0.00169102 -0.00425814
-3.03610328 6.87467952 6.27119633
-0.00013904 -0.00024236 -0.00027736
0.00371916 0.01295665 0.01222237
-2.97252310 5.55360695 3.78308649
-0.00046056 -0.00055385 0.00062880
-0.00340989 -0.00746112 0.01644132
5.84450255 16.33466424 -8.67564138
-0.00046755 0.00061939 0.00029037
0.00719524 0.01785605 0.02229099
7.37559680 18.10051954 -7.00982306
-0.00098359 -0.00007653 -0.00029057
0.04478693 0.02650525 0.00133419
7.64055887 5.91407186 -22.82877649
0.00021257 -0.00109426 -0.00168006
-0.01714142 -0.02440151 0.01487405
8.59954168 6.64914971 -20.40732858
0.00042101 0.00076236 -0.00026918
-0.01005131 -0.00364441 0.01811539
19.19330342 21.12931486 -4.11045315
0.00007364 -0.00071814 -0.00046533
-0.01494626 -0.01607569 0.00477080
19.89969148 19.74899083 -6.35010135
-0.00073854 -0.00022276 -0.00100516
0.00875232 -0.00967319 -0.01668176
2.13607902 12.17314159 -20.56607070
-0.00158038 0.00015515 0.00052453
-0.00598535 -0.01201336 0.00088345
0.14744975 14.30806710 -21.18448156
0.00041650 -0.00007217 -0.00080757
-0.00667956 -0.00076929 -0.00384679
10.89394350 -6.57130857 -0.97045653
-0.00047281 -0.00044991 0.00045415
-0.00568141 -0.00264693 -0.00503824
9.64071112 -3.88217749 -0.54885867
0.00107847 -0.00102022 -0.00001571
-0.00571057 -0.00013126 -0.01142050
-18.54748811 -4.81758611 6.88625687
0.00080312 -0.00079123 -0.00031244
-0.00380441 -0.00721708 0.02589864
-18.83618912 -5.20684056 4.16592575
0.00059847 -0.00013809 0.00015188
-0.00627478 -0.00245552 -0.01571555
-14.57041033 -0.11184995 19.14563384
0.00067260 0.00011780 0.00025885
0.00589954 -0.03261906 0.01780339
-14.07425165 -0.41992795 22.01612006
0.00016113 -0.00017008 -0.00004894
-0.00168218 0.00416382 0.01759928
1.61867834 3.54533902 -2.05095182
-0.00112198 -0.00004622 0.00015133
0.00507565 -0.01366101 -0.00423036
1.97298351 2.05425885 -4.61560763
0.00022967 0.00077784 -0.00055632
-0.00080940 -0.00156464 0.00324848
21.65368213 -10.61428528 -6.20964102
0.00066813 -0.00000488 0.00134077
0.00663650 0.00677483 0.00025664
22.62955457 -9.63948271 -3.45428857
-0.00026215 -0.00059716 -0.00067442
-0.02199869 -0.01659193 -0.03021047
4.67356294 -10.36388302 7.11889208
0.00064486 0.00021782 -0.00109689
0.00058199 -0.00053928 0.00133010
2.94547697 -11.78271227 9.10080431
-0.00009912 -0.00025407 -0.00024305
0.00613900 0.01313706 -0.00720009
-1.96906281 -3.34050984 -20.60508071
0.00002431 0.00020991 -0.00052105
-0.00289797 0.02345577 0.01662833
-3.40813693 -1.62694795 -18.64310892
-0.00005813 0.00015838 -0.00026764
-0.02691549 -0.00396453 0.01655940
0.57375013 5.10381953 -9.88364645
0.00009877 0.00038172 0.00068467
-0.00041069 0.01682665 0.00295574
-1.81666719 3.44421847 -9.66759301
0.00045471 -0.00005060 0.00148088
-0.06497084 0.00934655 0.02476387
-3.63243315 14.70513463 15.57334248
-0.00018256 0.00157275 0.00056516
0.03157847 -0.00084745 0.01685730
-6.39497261 14.53684631 15.66287124
-0.00044073 0.00089207 0.00022929
-0.01431093 -0.00141556 -0.00008051
-6.75098557 1.85556061 -6.19565831
-0.00059468 0.00053396 0.00009833
0.00952635 -0.00411186 -0.00984363
-5.05624911 1.27413302 -8.51550026
0.00089588 0.00018874 0.00058620
-0.00232457 -0.01368069 -0.01275445
-10.26016508 -0.48604828 -3.39733786
0.00062189 0.00019156 -0.00003712
-0.01402878 -0.01228256 0.00845478
-9.12319602 2.18520773 -3.13273250
-0.00119506 -0.00113509 0.00054776
-0.00331075 0.01253210 0.01305207
2.56511305 29.08006781 4.98917103
0.00136815 0.00014432 0.00037644
-0.00224684 -0.00293504 0.00262342
3.43559387 28.01348046 7.47897872
0.00001819 0.00027420 0.00001379
0.01689032 0.01756655 0.06584620
8.29333267 -10.11556401 -1.36490631
0.00052839 -0.00121800 0.00044411
0.01441033 -0.00402839 0.00247445
10.86217881 -11.22961921 -0.09048617
0.00096083 0.00051563 0.00044923
-0.00869960 -0.00305496 0.01120093
-5.23549949 -0.13366588 8.92814201
0.00046653 0.00055475 -0.00006584
-0.03015091 0.02623522 0.00134191
-8.07592001 -0.27718473 9.34361004
-0.00080826 0.00032129 -0.00022671
-0.00851882 0.00231074 0.00015076
20.56436622 11.00796072 8.88446352
-0.00031931 0.00042979 -0.00054269
-0.00729294 -0.00947293 -0.03343621
22.27058282 11.60669951 6.62805479
-0.00065370 -0.00083216 -0.00055214
-0.04170000 -0.02375113 0.00735310
-2.83178155 0.70678695 -22.13874091
-0.00017815 -0.00100130 0.00024268
0.01420802 -0.02704767 0.07971265
-4.91062187 1.02288491 -24.06944964
0.00139784 0.00014511 -0.00014855
0.00941141 0.00268748 0.00570849
-12.67947314 9.45317896 9.75205802
0.00002070 0.00032199 0.00015816
-0.01593678 -0.00749890 -0.01541627
-13.77603770 9.98865348 7.16487256
0.00077842 -0.00101924 -0.00013968
-0.00678074 0.00046000 -0.00420005
-13.80049623 5.10849111 -4.77111010
-0.00059164 -0.00006575 0.00022414
-0.00620775 -0.00508759 0.00315024
-14.40207066 7.65607696 -3.46607425
0.00092338 -0.00022673 -0.00027411
0.01102609 -0.00787834 -0.00828126
-4.00098689 -15.58122386 20.17304057
-0.00059341 -0.00027600 -0.00046605
-0.00247886 0.00307031 0.00642974
-1.48016208 -16.57839192 19.41812149
-0.00028795 -0.00024506 0.00035291
-0.00390845 0.01177452 0.01141025
-6.18730725 5.80010093 -7.62954631
0.00081425 0.00054774 0.00099690
0.00190305 -0.01459285 -0.00024227
-7.17999449 8.56055788 -7.24624538
-0.00105714 -0.00111045 0.00090662
0.00271734 0.00105468 -0.00114354
-21.22330054 29.85108536 0.00768469
-0.00002300 -0.00083436 0.00081284
0.02468634 0.00284503 0.02043773
-18.39855194 29.33979292 1.40978765
0.00060696 0.00059657 -0.00029952
-0.00757969 -0.00167616 -0.01498539
9.17726465 2.93852627 6.47963652
0.00045420 -0.00128651 -0.00090067
-0.00893808 -0.00597111 -0.00682237
9.16853922 5.43727768 8.02989531
-0.00045689 0.00081677 0.00012363
-0.00661481 0.01685043 -0.00446640
8.35720947 17.26596192 -12.16872947
-0.00088373 0.00029668 -0.00023648
0.00249532 0.00103788 -0.00344203
8.17999841 14.45532458 -11.68314420
0.00119523 0.00050686 -0.00070947
0.00897533 -0.01437499 -0.00338759
12.23880189 6.01547101 -1.46865189
0.00066095 -0.00059246 0.00055580
0.00074683 -0.00403674 0.00786041
13.90342621 4.29735229 0.42697491
0.00015732 -0.00074000 0.00033071
-0.01103485 0.00202087 -0.00316550
-4.15664854 11.12724016 -2.00557425
-0.00015287 0.00017564 0.00077662
-0.00565892 0.00476905 -0.02018677
-6.56116770 10.40868267 -0.72274136
-0.00090268 0.00066875 -0.00001659
-0.00321766 0.02043578 -0.02645913
7.26084818 14.33541193 4.39297669
-0.00025110 0.00044275 0.00028540
0.00983861 -0.01284845 0.00325472
9.06516110 11.93106634 3.89016666
-0.00070906 0.00077714 0.00097536
-0.01337618 0.01411335 0.01559707
20.37515820 -12.80332494 -8.98815832
0.00092185 -0.00031427 -0.00003384
0.01599309 0.00208948 -0.00196802
23.38031234 -12.39178279 -8.55076730
0.00033586 0.00030073 0.00024749
-0.01851294 -0.00495026 -0.01039004
19.75296361 -4.88576118 -2.85609332
0.00060356 -0.00025839 0.00039963
0.00502863 0.00219057 0.01011179
18.32713178 -6.94880055 -1.52499459
0.00015586 0.00034498 0.00027049
0.02375434 0.00978507 0.01094125
13.68760427 9.52189329 8.47179005
0.00068517 0.00013298 0.00035658
0.00186254 -0.00616879 -0.00054179
14.92662568 7.95182966 10.55575246
0.00028991 -0.00056324 0.00071678
0.00140801 -0.00480979 -0.01713368
2.97899484 -15.02134664 17.38023150
0.00000448 -0.00067450 -0.00030700
-0.01508595 -0.03019098 0.00896588
3.99813326 -12.38309713 17.50827444
-0.00054349 0.00120003 -0.00054307
-0.00091555 0.00026995 -0.01444751
-2.77438125 -3.89933154 -12.71163144
-0.00001377 0.00035734 -0.00014775
-0.00025964 -0.01674486 0.01484523
-1.20902547 -1.35957168 -13.03903422
-0.00043609 0.00031762 -0.00029316
-0.00641530 -0.02103105 -0.01153452
16.12577588 -7.91988249 -14.80715980
-0.00014531 0.00066089 0.00034389
0.00802224 -0.00143042 0.00333038
16.50985591 -7.94867803 -11.68709170
-0.00013771 -0.00070065 -0.00105146
-0.00185184 0.00241429 -0.01763224
7.77561909 -4.01845760 6.43419060
0.00091292 0.00052477 0.00086730
0.02252134 0.00695556 -0.00912596
10.57080053 -3.84818166 5.23323754
0.00055432 -0.00061722 -0.00032154
-0.00955102 -0.00174185 0.00411840
-21.26685539 1.03153288 25.09950142
-0.00016452 -0.00015231 0.00009186
0.04319243 -0.00327528 -0.00582483
-19.21754495 2.94751377 25.81345665
0.00041853 0.00016727 0.00000713
0.00376477 0.00774951 0.00815817
25.43008014 -2.86476189 -7.29868148
-0.00070305 0.00081889 -0.00035018
-0.00464516 0.01342020 0.01343857
24.37070252 -1.10976062 -9.22633152
-0.00159538 -0.00024250 -0.00002333
-0.00522879 0.01109079 0.01680320
11.70835666 -10.00638322 -9.34675525
-0.00058016 0.00020472 -0.00090225
0.01001737 0.00054825 0.01017113
12.73748347 -9.23858212 -12.06362231
0.00061964 -0.00044452 -0.00054180
-0.00054421 -0.00042371 0.01006439
-7.74515948 -10.60054003 17.67972707
0.00001772 0.00001330 -0.00027603
0.03493390 0.00486560 0.01902213
-10.29854697 -11.47292218 17.60933260
0.00035213 0.00047664 0.00061713
-0.00483727 0.00881363 -0.01059979
7.90118931 2.05951059 -29.28276929
0.00013053 0.00028046 -0.00056572
0.00885181 -0.00732638 0.00695828
5.44170304 0.73540875 -28.91207986
-0.00018459 -0.00040745 0.00008231
0.00360366 0.00636319 0.02073097
14.39163941 19.16969136 13.52095966
-0.00080582 0.00000908 -0.00079570
-0.00388170 -0.00001448 0.00871278
12.91283392 17.84537679 11.60256137
0.00074478 0.00055142 0.00044610
-0.00124531 -0.01578423 -0.02251866
27.84683567 7.69259882 -11.76208545
-0.00000321 -0.00014530 0.00047975
-0.01976822 0.00013665 0.00042813
26.37260429 7.71342828 -9.30355847
-0.00061538 -0.00018561 -0.00015846
-0.00197112 -0.00006684 0.01584499
-7.95232703 4.64365014 6.07821821
0.00012681 0.00016849 0.00004013
0.00187425 -0.00872897 0.00357627
-10.50420484 9.20537542 2.89482173
0.00010764 -0.00005031 0.00006868
0.01168345 -0.00541983 0.01156916
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.07739051
0.29537987
393.57886330
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0606831395
ExchangeOperator: pair fraction: ispin=0: 0.1505029746
ExchangeOperator: bisection time: 1.605 s
total exchange = -52.3801863433 (a.u.)
total exchange computation time: 2.9011700153 s
-154.2214872087
-931.37548335
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0606831395
ExchangeOperator: pair fraction: ispin=0: 0.1505029746
ExchangeOperator: bisection time: 1.605 s
total exchange = -52.3798064343 (a.u.)
total exchange computation time: 2.8996930122 s
-154.2254902214
Anderson extrapolation: theta=1.3468686593 (1.3468686593)
-931.37572584
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0606831395
ExchangeOperator: pair fraction: ispin=0: 0.1505029746
ExchangeOperator: bisection time: 1.609 s
total exchange = -52.3792274205 (a.u.)
total exchange computation time: 2.8999228477 s
-154.2312463210
Anderson extrapolation: theta=0.0535657320 (0.0535657320)
-931.37587162
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0606831395
ExchangeOperator: pair fraction: ispin=0: 0.1505029746
ExchangeOperator: bisection time: 1.605 s
total exchange = -52.3791420338 (a.u.)
total exchange computation time: 2.8986139297 s
-154.2319145850
Anderson extrapolation: theta=1.9792109751 (1.9792109751)
-931.37587766
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0606831395
ExchangeOperator: pair fraction: ispin=0: 0.1505029746
ExchangeOperator: bisection time: 1.608 s
total exchange = -52.3789583344 (a.u.)
total exchange computation time: 2.9003520012 s
-154.2333112481
Anderson extrapolation: theta=0.2348522016 (0.2348522016)
-931.37588460
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0606831395
ExchangeOperator: pair fraction: ispin=0: 0.1505029746
ExchangeOperator: bisection time: 1.607 s
total exchange = -52.3789141872 (a.u.)
total exchange computation time: 2.9039430618 s
-154.2336192387
Anderson extrapolation: theta=1.8689213668 (1.8689213668)
-931.37588606
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0606831395
ExchangeOperator: pair fraction: ispin=0: 0.1505029746
ExchangeOperator: bisection time: 1.605 s
total exchange = -52.3788508686 (a.u.)
total exchange computation time: 2.8998119831 s
-154.2340331324
Anderson extrapolation: theta=0.2862594921 (0.2862594921)
-931.37588793
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0606831395
ExchangeOperator: pair fraction: ispin=0: 0.1505029746
ExchangeOperator: bisection time: 1.606 s
total exchange = -52.3788517969 (a.u.)
total exchange computation time: 2.8995940685 s
-154.2339958685
Anderson extrapolation: theta=1.2801131849 (1.2801131849)
-931.37588836
-25.506274 72.419920 -212.733987
562.980142 1075.165503 -404.382094
537.473868 1147.585423 -617.116081
1409.490234
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0606831395
ExchangeOperator: pair fraction: ispin=0: 0.1505029746
ExchangeOperator: bisection time: 1.607 s
total exchange = -52.3788667400 (a.u.)
total exchange computation time: 2.8726069927 s
678.88774703
-1084.12602480
89.82987833
-388.78024661
-174.80837588
78.46375009
551.60419304
0.00000000
-931.37588867
4.61060346 -30.81618328 -3.56620999
-0.00011135 -0.00018241 0.00007247
0.01108527 -0.00623023 -0.01494985
-12.00750037 2.06198952 -9.46766980
0.00045882 -0.00000116 0.00014236
0.02584141 -0.00332333 0.02298577
-36.19610772 1.23204618 3.12541785
0.00013785 0.00026553 -0.00003091
-0.02190894 -0.03984267 0.02506185
-7.50303111 -3.61868751 2.52505342
0.00006859 0.00020092 0.00019859
0.01606884 0.00852495 0.01023238
2.25493785 0.10244645 8.93406751
0.00000976 0.00002138 0.00021164
-0.01861957 0.03366381 0.01880274
-30.95195098 1.35216776 2.75018183
-0.00000526 0.00016482 -0.00015185
0.04375161 0.00913708 -0.00932163
16.99967574 13.26372063 -17.84066799
0.00014534 -0.00015681 -0.00036752
-0.03509973 -0.00559252 -0.00921061
-3.43843008 5.26060456 5.56226078
0.00008169 -0.00018717 -0.00005263
-0.00095288 -0.00509785 -0.02799330
5.85973098 17.24016215 -6.97033115
-0.00005807 -0.00028288 -0.00000765
-0.05236394 -0.04538144 -0.02367272
7.15582250 5.62675680 -20.98949956
0.00016697 0.00009990 0.00024706
0.02070385 0.02557343 -0.02704526
18.61280213 19.61444359 -5.08966310
-0.00007525 0.00016508 0.00007840
0.01467239 0.01610957 0.00498924
1.90790439 13.89221516 -21.08929618
0.00010844 0.00016997 -0.00031167
0.01955097 0.01112816 0.00390290
10.28231313 -5.39107044 0.27753557
0.00002183 0.00028706 0.00023948
0.01689866 -0.01427187 0.01896256
-18.37598812 -3.92471948 5.35272150
0.00033118 -0.00021284 -0.00007776
0.01349639 0.00505761 -0.00698864
-14.15858708 -1.44362793 20.53259622
-0.00026912 0.00012737 0.00019206
-0.00458181 0.03043485 -0.04190163
1.59911632 3.67565373 -3.87555420
0.00002275 -0.00005919 -0.00028413
-0.00379607 0.02145051 0.00838206
21.30075537 -10.61066700 -4.43144882
-0.00006725 -0.00010991 -0.00022097
0.00961322 0.01817307 0.04084079
3.05121282 -10.30031121 7.96081857
-0.00003466 -0.00020138 -0.00006317
0.00187002 -0.00881297 -0.00015736
-1.85534641 -1.83567986 -19.45446146
-0.00003767 -0.00003536 -0.00014174
0.02836762 -0.01717702 -0.03593701
-0.19406563 3.51521608 -10.18867413
-0.00029535 0.00003060 -0.00058207
0.06687081 -0.01581245 -0.03008905
-5.02452259 14.62271837 14.49289846
0.00003979 -0.00000155 -0.00015604
-0.01688110 0.00178787 -0.01912619
-5.50208262 2.58192439 -7.38058761
0.00020626 0.00031717 0.00010547
-0.01246657 0.00812241 0.02520007
-9.17108669 0.70188816 -4.16437537
-0.00011353 0.00020393 0.00009480
0.02103757 0.00471197 -0.02180015
2.96811827 27.53741489 5.89546365
-0.00019854 -0.00027231 -0.00023649
-0.01597053 -0.00812676 -0.05750621
10.05017449 -10.62376637 -1.61343962
-0.00025208 -0.00037461 0.00032690
-0.00750156 0.01021817 -0.02819108
-6.79950710 1.01227317 9.20745059
0.00005988 -0.00002510 0.00008474
0.03739954 -0.03152159 -0.00514276
20.45223039 10.82523862 6.98138419
-0.00015684 -0.00000472 0.00000911
0.04608132 0.02442047 0.02596220
-3.09424853 1.09058915 -23.77812574
-0.00013366 0.00003203 -0.00025490
-0.01465544 0.02258953 -0.07518693
-13.94160574 8.76148133 8.50861081
0.00044657 0.00022597 0.00010920
0.02154722 0.00038719 0.02884249
-13.41687676 6.10000556 -3.28904001
-0.00027132 -0.00009173 -0.00006016
0.00202689 0.01928661 -0.00756752
-2.24328210 -15.34604109 20.60881544
-0.00009012 -0.00004685 -0.00008408
-0.00183587 -0.01914409 -0.01616350
-6.00213634 7.50955243 -8.19585560
0.00008842 0.00029527 0.00028661
-0.00413647 0.02537656 -0.00530840
-19.82067215 30.47972458 1.10507065
0.00019986 -0.00028804 -0.00034999
-0.01452530 0.00422913 -0.00288302
9.88559857 3.77903169 7.92327833
-0.00004912 0.00005547 0.00017619
0.00940244 -0.00729185 -0.00272613
7.16851746 15.94458843 -11.75761720
0.00002349 0.00028587 0.00019152
-0.01280406 0.00278983 0.00927865
13.84602192 5.20972595 -1.17140266
-0.00049673 -0.00015507 -0.00013506
0.02281117 -0.01268467 -0.00537069
-5.98625280 11.44665218 -2.21080554
-0.00037653 0.00004072 0.00002731
0.02689560 -0.02261170 0.06189501
7.94484061 12.79342749 5.16622436
-0.00000579 -0.00050274 0.00013268
-0.00490486 0.00926446 -0.01658314
21.93290040 -12.07594025 -9.69722268
-0.00048510 0.00011286 0.00015136
-0.00039516 0.00204577 0.01525227
19.93031671 -5.97615035 -1.33327406
-0.00024649 0.00004661 0.00031841
-0.03034431 -0.00639166 -0.01065626
14.62874583 7.97513404 8.69126767
0.00018581 0.00012502 0.00007555
0.00552742 0.00677614 0.02804358
3.79540510 -13.81868751 16.35239068
-0.00000532 0.00005413 0.00016020
0.01584183 0.03185638 0.00177449
-2.55629453 -2.47065270 -13.74639076
0.00009958 0.00004011 0.00016350
0.00368271 0.04165003 -0.00625606
15.52162548 -7.36558628 -13.14961842
0.00009081 -0.00004309 -0.00010564
-0.01380254 0.00479841 0.02274251
9.57301632 -3.60067374 6.74734371
0.00011368 -0.00029486 -0.00017831
-0.00240203 0.00249964 0.00110794
-19.38807356 1.38287531 24.90117678
-0.00001174 0.00000678 0.00000380
-0.04841899 -0.00846500 -0.00237482
24.38789356 -1.28755014 -7.36239397
-0.00019828 0.00011239 -0.00001919
0.00762374 -0.01426842 -0.03028001
11.65828651 -10.43118942 -11.11277042
0.00000354 -0.00020839 -0.00024622
-0.00835078 0.00686306 -0.02166449
-8.98682395 -10.85745928 16.44504058
0.00042415 0.00025003 0.00019439
-0.05062878 -0.01715796 -0.03035271
6.75382458 1.59542462 -27.86774648
0.00023306 -0.00001927 0.00014781
-0.00853642 -0.00483756 -0.03386136
12.65326549 18.83432969 13.05598061
-0.00004411 -0.00023513 -0.00021209
0.00122194 0.01321876 0.01836526
26.08684842 7.50199801 -11.08014916
-0.00020162 0.00011753 0.00002889
0.03015247 -0.00151694 -0.02209353
5.29834500 -29.41757603 -4.59367315
-0.00005815 -0.00046530 -0.00044555
-0.00536326 -0.00517321 0.00471227
4.23511950 -30.16767262 -1.92714828
0.00031353 0.00111549 -0.00007375
-0.00871564 0.00684259 0.01369106
-10.19597490 1.73628005 -9.02494814
-0.00018443 0.00078024 0.00031341
-0.03540220 0.00682906 -0.01185087
-12.10538747 2.76807868 -11.15732028
0.00035821 -0.00013893 0.00024419
0.00449226 -0.00231469 -0.00788133
-36.87434826 2.61607169 2.16498330
-0.00093485 0.00059924 0.00002519
-0.00624877 0.02373551 -0.00574769
-37.73996918 0.31298018 3.77483435
-0.00034764 0.00003242 0.00074173
0.02912476 0.01537152 -0.01401347
-8.79517259 -4.46386501 1.57955748
0.00016498 0.00056640 -0.00115527
-0.01584993 -0.01114238 -0.00833774
-6.27989772 -4.85803604 3.08664086
0.00050446 0.00015424 -0.00026092
-0.00521632 -0.00093064 -0.00136826
2.53842097 0.08108449 7.15987949
0.00075085 0.00006889 -0.00067581
0.00472946 -0.00878566 -0.01753087
1.57049143 1.85574979 9.22302982
0.00019686 -0.00025688 -0.00008966
0.00947971 -0.02901891 0.00398751
-30.32166196 -0.36215924 2.39022630
-0.00020524 0.00054212 -0.00009736
-0.00387382 0.00556566 0.00804201
-32.69951455 1.23454169 2.98303073
-0.00049761 -0.00126827 -0.00034595
-0.03965735 -0.00883987 0.00382632
15.40090868 12.33199065 -18.22157680
-0.00086568 -0.00119403 -0.00057508
0.02501646 0.00919711 0.00505325
18.09200466 12.12249465 -16.86795658
-0.00069245 0.00118270 -0.00078042
0.00803147 -0.00448801 0.00033713
-3.03807494 6.87144112 6.26741047
-0.00012325 -0.00018717 -0.00022610
0.00401191 0.01406051 0.01286938
-2.97953595 5.54507054 3.79302237
-0.00047117 -0.00058259 0.00068420
-0.00178376 -0.00660694 0.01067397
5.83770986 16.34450224 -8.67060274
-0.00043837 0.00068786 0.00037579
0.00708813 0.01566226 0.01952143
7.36221542 18.10018382 -7.01414079
-0.00078940 0.00003866 -0.00028512
0.05026861 0.02987899 0.00133432
7.64322219 5.89691016 -22.85352156
0.00014088 -0.00119420 -0.00160396
-0.01795425 -0.02451941 0.02237561
8.60554884 6.66047345 -20.41081119
0.00037592 0.00074425 -0.00019873
-0.01201961 -0.00522008 0.01637293
19.19395005 21.11805020 -4.11728691
0.00001637 -0.00077456 -0.00044076
-0.01308990 -0.01154545 0.00725716
19.88888156 19.74535307 -6.36568992
-0.00070680 -0.00026207 -0.00106886
0.00678308 -0.00957092 -0.01450027
2.11218996 12.17510075 -20.55817562
-0.00160228 0.00010715 0.00052732
-0.00473821 -0.01148477 0.00048005
0.15349264 14.30696099 -21.19671305
0.00038399 -0.00007180 -0.00082403
-0.00923903 0.00094873 -0.00420869
10.88667720 -6.57813838 -0.96379863
-0.00049676 -0.00045970 0.00043587
-0.00603842 -0.00214289 -0.00391281
9.65671324 -3.89748485 -0.54944434
0.00104772 -0.00100427 -0.00007006
-0.00934446 0.00793949 -0.01518342
-18.53555782 -4.82967572 6.88236396
0.00078797 -0.00081949 -0.00020743
-0.00361201 -0.00661626 0.02550276
-18.82740438 -5.20898717 4.16772237
0.00057160 -0.00015056 0.00008407
-0.00687720 -0.00364732 -0.01747634
-14.56014062 -0.11108244 19.15006216
0.00069525 -0.00001396 0.00033083
0.00519113 -0.03187874 0.01743130
-14.07188623 -0.42235152 22.01592518
0.00015424 -0.00015104 0.00002653
-0.00169189 0.00515582 0.01934520
1.60200415 3.54422707 -2.04881150
-0.00110077 -0.00010245 0.00012691
0.00530549 -0.01386463 -0.00772267
1.97640379 2.06587852 -4.62385289
0.00022834 0.00076256 -0.00054564
0.00015699 -0.00591611 0.00197789
21.66390748 -10.61415093 -6.18952159
0.00069799 0.00002171 0.00131855
0.00798081 0.00624298 -0.01113334
22.62494827 -9.64894847 -3.46533060
-0.00034717 -0.00066139 -0.00079181
-0.01962010 -0.01485155 -0.02725343
4.68325370 -10.36063220 7.10247943
0.00063324 0.00021486 -0.00108284
-0.00626921 -0.00090905 0.00554772
2.94417825 -11.78612073 9.09693792
-0.00007300 -0.00020121 -0.00027218
0.00665018 0.01273492 -0.00705963
-1.96878701 -3.33664249 -20.61238693
0.00001216 0.00030511 -0.00045273
-0.00304719 0.02314507 0.01681636
-3.40983361 -1.62469372 -18.64661613
-0.00016767 0.00014188 -0.00020047
-0.02670557 -0.00411433 0.01632423
0.57521904 5.11006088 -9.87328588
0.00009261 0.00043863 0.00069452
-0.00260231 0.01103225 0.00186704
-1.81183741 3.44374589 -9.64462102
0.00019077 -0.00001337 0.00158426
-0.06422898 0.00887768 0.02584104
-3.63420383 14.72869984 15.58233640
-0.00005977 0.00156933 0.00062894
0.02852526 -0.00082284 0.01436238
-6.40202204 14.55018400 15.66630808
-0.00049194 0.00088648 0.00022228
-0.01075997 -0.00131930 -0.00335026
-6.75961380 1.86344403 -6.19448498
-0.00055157 0.00051872 0.00005458
0.01157587 -0.00334889 -0.01157406
-5.04288214 1.27654484 -8.50709802
0.00088605 0.00013244 0.00053451
-0.00248855 -0.01387614 -0.01254831
-10.25126656 -0.48355124 -3.39763564
0.00055965 0.00013370 -0.00000065
-0.01644194 -0.01604030 0.00939806
-9.14122340 2.16856544 -3.12411621
-0.00120667 -0.00107170 0.00060740
-0.00237177 0.01849525 0.01614376
2.58556641 29.08214263 4.99489798
0.00135722 0.00013543 0.00038285
-0.00310449 -0.00141606 0.00051522
3.43638431 28.01813178 7.48120328
0.00008418 0.00034091 0.00027166
0.01541323 0.01508865 0.06038573
8.30170005 -10.13395738 -1.35816880
0.00057344 -0.00123048 0.00045669
0.00764140 -0.00208119 0.00368054
10.87632466 -11.22197833 -0.08340449
0.00092256 0.00050425 0.00049117
-0.01003531 -0.00251937 0.00932737
-5.22942546 -0.12454077 8.92719554
0.00034119 0.00065989 -0.00005994
-0.03120293 0.02523552 0.00154633
-8.08830494 -0.27229462 9.34021400
-0.00083691 0.00033370 -0.00022681
-0.00550597 0.00376581 -0.00019879
20.55935305 11.01411735 8.87529859
-0.00034827 0.00039134 -0.00067280
-0.00687970 -0.00934922 -0.03025501
22.25949956 11.59348932 6.61999807
-0.00082000 -0.00092667 -0.00052210
-0.03970570 -0.02251112 0.00734749
-2.83401843 0.69093867 -22.13265802
-0.00012278 -0.00110799 0.00054840
0.01289585 -0.02517831 0.06993597
-4.88936591 1.02514387 -24.07150296
0.00141268 0.00015551 -0.00012962
-0.00214590 0.00240276 0.00355563
-12.67965094 9.45777898 9.75395809
-0.00004221 0.00029253 0.00009656
-0.01486098 -0.00692253 -0.01474009
-13.76456922 9.97337892 7.16264869
0.00075187 -0.00101150 -0.00016313
-0.00621418 0.00333236 -0.00727797
-13.80956111 5.10734897 -4.76765147
-0.00061771 -0.00008877 0.00023482
-0.00655138 -0.00618044 0.00207764
-14.38788212 7.65243456 -3.47043960
0.00096236 -0.00024933 -0.00030860
0.00805637 -0.00318571 -0.00860146
-4.00996401 -15.58526978 20.16624689
-0.00059469 -0.00026198 -0.00043731
0.00185310 0.00379175 0.00763733
-1.48460107 -16.58170702 19.42376473
-0.00030243 -0.00019863 0.00039728
-0.00317875 0.01095577 0.01030999
-6.17503519 5.80786981 -7.61460022
0.00082330 0.00048615 0.00099468
0.00252816 -0.01555258 -0.00084308
-7.19576834 8.54393349 -7.23268119
-0.00104266 -0.00110528 0.00089893
0.00436936 0.00147651 -0.00261752
-21.22288906 29.83865713 0.02050358
0.00007539 -0.00082412 0.00089306
0.02347677 0.00216796 0.01883081
-18.38967974 29.34869018 1.40483565
0.00057830 0.00058672 -0.00036027
-0.00645344 -0.00314998 -0.01475341
9.18380369 2.91904572 6.46591735
0.00042455 -0.00129938 -0.00091280
-0.00557307 -0.00032951 0.00088684
9.16148319 5.45004558 8.03161284
-0.00047915 0.00087238 0.00010299
-0.00428415 0.01036903 -0.00563364
8.34402994 17.27044395 -12.17238219
-0.00086885 0.00030692 -0.00025163
0.00479001 0.00397233 -0.00397308
8.19820194 14.46248700 -11.69389010
0.00122669 0.00045437 -0.00072330
0.00642455 -0.01132156 -0.00338246
12.24873900 6.00646040 -1.46007399
0.00064528 -0.00059951 0.00058511
-0.00841615 0.00058521 0.00648465
13.90544791 4.28631427 0.43183854
0.00011157 -0.00072662 0.00030893
-0.01136326 0.00452898 -0.00749296
-4.15911506 11.13002084 -1.99454356
-0.00018006 0.00019529 0.00069390
-0.00765085 0.00485076 -0.02030389
-6.57480650 10.41934017 -0.72380102
-0.00091589 0.00075008 -0.00012241
-0.00324963 0.01937680 -0.02534049
7.25738311 14.34165940 4.39735747
-0.00020671 0.00038088 0.00030340
0.01189341 -0.01743617 0.00555458
9.05411538 11.94315595 3.90527494
-0.00075337 0.00082649 0.00102658
-0.00831616 0.01004461 0.00947593
20.38947608 -12.80797499 -8.98872617
0.00097393 -0.00031089 -0.00003608
0.00950006 -0.00043276 0.00086766
23.38478297 -12.38742358 -8.54737339
0.00025367 0.00028206 0.00019976
-0.02172201 -0.00418611 -0.01296971
19.76217117 -4.88956994 -2.84978908
0.00062335 -0.00024773 0.00043809
0.00465449 0.00302616 0.00871663
18.33019764 -6.94332606 -1.52060193
0.00024705 0.00038164 0.00031433
0.02088113 0.00816426 0.01051897
13.69793887 9.52369894 8.47712207
0.00069040 0.00011143 0.00035424
0.00069755 -0.00437872 -0.00060001
14.93101741 7.94323371 10.56597908
0.00029433 -0.00058195 0.00063952
0.00075776 -0.00435103 -0.02068206
2.97859974 -15.03238923 17.37590123
-0.00005441 -0.00079238 -0.00027139
-0.01374021 -0.02751178 0.00846618
3.98995280 -12.36508842 17.49968566
-0.00054850 0.00119438 -0.00060311
-0.00153714 -0.00303675 -0.01494345
-2.77459577 -3.89448453 -12.71339278
-0.00001524 0.00028351 -0.00008262
-0.00045816 -0.01939557 0.01703792
-1.21576345 -1.35545177 -13.04378507
-0.00045834 0.00023390 -0.00033780
-0.00447283 -0.01995101 -0.01031573
16.12384210 -7.91001294 -14.80189946
-0.00011016 0.00065226 0.00034917
0.00918060 -0.00279514 -0.00074606
16.50773354 -7.95911380 -11.70340385
-0.00014026 -0.00069312 -0.00111556
0.00060304 0.00127222 -0.01374911
7.79000302 -4.01037286 6.44692041
0.00099038 0.00054913 0.00082557
0.01539661 0.00496722 -0.01129848
10.57882266 -3.85749334 5.22854067
0.00051087 -0.00062358 -0.00030000
-0.01171809 -0.00137200 0.00642566
-21.26799966 1.02914783 25.10070085
0.00001334 -0.00016451 0.00006828
0.04387314 -0.00269682 -0.00572078
-19.21115170 2.95026026 25.81381358
0.00043255 0.00019628 0.00003886
0.00310259 0.00644989 0.00737534
25.41939197 -2.85206734 -7.30352238
-0.00071636 0.00086456 -0.00029445
-0.00187008 0.00893767 0.01383936
24.34661164 -1.11305824 -9.22616661
-0.00161585 -0.00019666 0.00004491
-0.00479092 0.01134980 0.01660213
11.69996115 -10.00329566 -9.35997732
-0.00053892 0.00020929 -0.00085223
0.01017431 0.00169092 0.01431178
12.74676134 -9.24526290 -12.07144092
0.00061442 -0.00044866 -0.00049806
-0.00200848 -0.00160216 0.01134503
-7.74382321 -10.60019137 17.67616952
0.00016836 0.00003484 -0.00019208
0.03880693 0.00567434 0.02206959
-10.29341329 -11.46550257 17.61826479
0.00033410 0.00051368 0.00057150
-0.00398880 0.00931801 -0.01173783
7.90341846 2.06349301 -29.29104192
0.00016278 0.00024857 -0.00053253
0.00693709 -0.00828459 0.00928804
5.43904468 0.72949195 -28.91021000
-0.00016531 -0.00037846 0.00016995
0.00582984 0.00782785 0.02216963
14.37943309 19.16982711 13.50929107
-0.00080929 0.00001306 -0.00075469
0.00218645 0.00196290 0.01136276
12.92396748 17.85316446 11.60856288
0.00073969 0.00047776 0.00034078
-0.00124879 -0.02027323 -0.02903884
27.84618180 7.69042352 -11.75487613
-0.00008419 -0.00014465 0.00048127
-0.01987545 0.00018290 0.00031616
26.36331317 7.71064207 -9.30544977
-0.00062286 -0.00018522 -0.00008936
-0.00168811 0.00025679 0.01797902
-7.95041990 4.64615407 6.07882969
0.00012744 0.00016537 0.00004142
0.00165730 -0.00869656 0.00365552
-10.50256997 9.20461131 2.89587206
0.00011040 -0.00005155 0.00007137
0.01215229 -0.00526575 0.01166036
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.07715094
0.29873774
398.05305598
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0606831395
ExchangeOperator: pair fraction: ispin=0: 0.1505029746
ExchangeOperator: bisection time: 1.604 s
total exchange = -52.3897479109 (a.u.)
total exchange computation time: 2.8729250431 s
-154.2536250049
-931.37800105
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0606831395
ExchangeOperator: pair fraction: ispin=0: 0.1505029746
ExchangeOperator: bisection time: 1.603 s
total exchange = -52.3892742763 (a.u.)
total exchange computation time: 2.8735229969 s
-154.2582058933
Anderson extrapolation: theta=1.3485413643 (1.3485413643)
-931.37823520
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0606831395
ExchangeOperator: pair fraction: ispin=0: 0.1505029746
ExchangeOperator: bisection time: 1.607 s
total exchange = -52.3885430362 (a.u.)
total exchange computation time: 2.8732340336 s
-154.2648445097
Anderson extrapolation: theta=0.0537474065 (0.0537474065)
-931.37837565
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0606831395
ExchangeOperator: pair fraction: ispin=0: 0.1505029746
ExchangeOperator: bisection time: 1.607 s
total exchange = -52.3884295174 (a.u.)
total exchange computation time: 2.8738579750 s
-154.2656332592
Anderson extrapolation: theta=1.9674946413 (1.9674946413)
-931.37838133
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0606831395
ExchangeOperator: pair fraction: ispin=0: 0.1505029746
ExchangeOperator: bisection time: 1.607 s
total exchange = -52.3881823465 (a.u.)
total exchange computation time: 2.8744361401 s
-154.2672905685
Anderson extrapolation: theta=0.2290451549 (0.2290451549)
-931.37838761
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0606831395
ExchangeOperator: pair fraction: ispin=0: 0.1505029746
ExchangeOperator: bisection time: 1.606 s
total exchange = -52.3881181370 (a.u.)
total exchange computation time: 2.8727369308 s
-154.2676734085
Anderson extrapolation: theta=1.8388930548 (1.8388930548)
-931.37838887
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0606831395
ExchangeOperator: pair fraction: ispin=0: 0.1505029746
ExchangeOperator: bisection time: 1.607 s
total exchange = -52.3880168448 (a.u.)
total exchange computation time: 2.8731000423 s
-154.2682264556
Anderson extrapolation: theta=0.2792129028 (0.2792129028)
-931.37839043
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0606831395
ExchangeOperator: pair fraction: ispin=0: 0.1505029746
ExchangeOperator: bisection time: 1.603 s
total exchange = -52.3880061384 (a.u.)
total exchange computation time: 2.8725628853 s
-154.2682328774
Anderson extrapolation: theta=1.2828780242 (1.2828780242)
-931.37839079
-25.516728 72.430144 -212.724551
562.966983 1075.167783 -404.391121
537.450255 1147.597927 -617.115672
1409.491231
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0606831395
ExchangeOperator: pair fraction: ispin=0: 0.1505029746
ExchangeOperator: bisection time: 1.604 s
total exchange = -52.3880058409 (a.u.)
total exchange computation time: 2.8740108013 s
679.02108645
-1084.41801894
89.82237358
-388.58364552
-174.83218079
78.62417973
551.60419304
0.00000000
-931.37839106
4.60897598 -30.81894349 -3.56518062
-0.00010574 -0.00018516 0.00006523
0.01072749 -0.00447059 -0.01319865
-12.00051838 2.06195926 -9.46544572
0.00047091 -0.00000272 0.00015412
0.02116253 -0.00271771 0.02274044
-36.19412455 1.23587548 3.12505086
0.00012530 0.00024547 -0.00001818
-0.02686991 -0.03819035 0.02444381
-7.50194032 -3.61564082 2.52807176
0.00007630 0.00020471 0.00020345
0.01394205 0.00620033 0.00866883
2.25501242 0.10289699 8.93731465
0.00000081 0.00003803 0.00021899
-0.01619965 0.03109597 0.00979402
-30.95186111 1.35467527 2.74786817
0.00001531 0.00016988 -0.00015631
0.03624429 0.01053881 -0.00804173
17.00172045 13.26134690 -17.84621628
0.00012407 -0.00015904 -0.00037409
-0.04761716 -0.00307550 -0.01632878
-3.43720840 5.25777739 5.56136334
0.00008071 -0.00019016 -0.00006544
-0.00286011 -0.00652159 -0.02180727
5.85865790 17.23574389 -6.97053719
-0.00008571 -0.00030610 -0.00001888
-0.05512586 -0.04491551 -0.02002137
7.15840691 5.62835397 -20.98589794
0.00017815 0.00011329 0.00023183
0.02278623 0.02650148 -0.03220870
18.61172993 19.61698196 -5.08846780
-0.00006769 0.00017201 0.00007954
0.01474191 0.01084723 -0.00056301
1.90960648 13.89480760 -21.09395621
0.00011878 0.00017501 -0.00030941
0.02064438 0.00849099 0.00490094
10.28270578 -5.38681956 0.28120085
0.00003152 0.00027752 0.00024990
0.02077920 -0.02282705 0.02158482
-18.37096840 -3.92789260 5.35152807
0.00033813 -0.00021028 -0.00008068
0.01355179 0.00491308 -0.00433846
-14.16264152 -1.44159993 20.53531545
-0.00027125 0.00014239 0.00017042
-0.00371881 0.02797129 -0.04222580
1.59944288 3.67484869 -3.87978386
0.00002052 -0.00004703 -0.00027864
-0.00487963 0.02581355 0.01296667
21.29978365 -10.61224561 -4.43460577
-0.00006351 -0.00010100 -0.00019787
0.00495723 0.01648570 0.04897073
3.05070017 -10.30336585 7.95987047
-0.00003212 -0.00020563 -0.00006437
0.00798544 -0.00772795 -0.00451920
-1.85580198 -1.83627647 -19.45672618
-0.00002343 -0.00004387 -0.00015992
0.02698490 -0.01592284 -0.03475434
-0.19823801 3.51561405 -10.19752126
-0.00026162 0.00002403 -0.00059708
0.06431650 -0.00973727 -0.02828588
-5.02399079 14.62270199 14.49048412
0.00003124 -0.00000059 -0.00016417
-0.01637587 0.00194034 -0.01251564
-5.49903677 2.58671326 -7.37890830
0.00019949 0.00032104 0.00011867
-0.01384909 0.00691156 0.02612593
-9.17270848 0.70496534 -4.16303746
-0.00010246 0.00020573 0.00008265
0.02199448 0.00229086 -0.02543416
2.96507863 27.53329895 5.89169442
-0.00020594 -0.00027604 -0.00026341
-0.01282309 -0.00640810 -0.04715332
10.04636432 -10.62934604 -1.60864490
-0.00025368 -0.00037004 0.00031263
0.00130591 0.00751957 -0.02729162
-6.79846458 1.01177515 9.20870188
0.00007837 -0.00004130 0.00008216
0.03448156 -0.03150174 -0.00490279
20.45005556 10.82526194 6.98162093
-0.00013397 0.00000737 0.00002153
0.04285492 0.02263121 0.02235423
-3.09631003 1.09115675 -23.78223922
-0.00013741 0.00004302 -0.00028956
0.00009057 0.02015941 -0.05962306
-13.93482405 8.76487238 8.51036013
0.00045710 0.00022513 0.00012453
0.01941028 -0.00363562 0.03077232
-13.42093877 6.09870408 -3.28997162
-0.00026954 -0.00008287 -0.00006362
0.00492008 0.01514845 -0.00588414
-2.24464095 -15.34681768 20.60749191
-0.00009238 -0.00005653 -0.00009233
-0.00697510 -0.01848611 -0.01590524
-6.00082593 7.51407941 -8.19157687
0.00008569 0.00030832 0.00028437
-0.00649687 0.02534156 -0.00341367
-19.81773035 30.47542036 1.09980962
0.00019255 -0.00028524 -0.00035106
-0.01389397 0.00662675 -0.00126105
9.88489804 3.77983560 7.92591073
-0.00004566 0.00005199 0.00017321
0.00405632 -0.00625233 -0.00887711
7.16882035 15.94888730 -11.75470863
0.00001713 0.00028573 0.00019639
-0.01190270 -0.00335261 0.00966724
13.83865901 5.20735093 -1.17344920
-0.00048246 -0.00016343 -0.00013636
0.03266626 -0.01980968 0.00030874
-5.99179704 11.44717580 -2.21015709
-0.00036212 0.00002946 0.00005884
0.02914049 -0.02119886 0.06070148
7.94473491 12.78592214 5.16815052
-0.00001033 -0.00049564 0.00012538
-0.01277952 0.01834961 -0.01177864
21.92562234 -12.07423939 -9.69489348
-0.00048274 0.00011452 0.00015893
0.00956572 0.00439615 0.01420930
19.92650232 -5.97547590 -1.32853896
-0.00026108 0.00004359 0.00031343
-0.02640267 -0.00533753 -0.00871611
14.63155425 7.97703541 8.69250914
0.00018914 0.00012784 0.00009077
0.00742111 0.00421316 0.03112974
3.79538646 -13.81775262 16.35480051
0.00000252 0.00007037 0.00016149
0.01463319 0.03127608 0.00323052
-2.55478659 -2.46989042 -13.74396233
0.00010092 0.00006158 0.00015950
0.00153292 0.04184067 -0.00929794
15.52293444 -7.36621411 -13.15111536
0.00008274 -0.00003999 -0.00009400
-0.01757700 0.00726571 0.02254460
9.57471221 -3.60508695 6.74467335
0.00011505 -0.00029312 -0.00017776
0.00772709 0.00424655 0.00102441
-19.38843648 1.38294440 24.90122454
-0.00003637 0.00000272 0.00000276
-0.04735310 -0.00732013 -0.00164593
24.38494880 -1.28591935 -7.36279854
-0.00019525 0.00010625 -0.00003470
0.00413644 -0.00960717 -0.03006300
11.65830733 -10.43428875 -11.11654727
-0.00000044 -0.00020475 -0.00025857
-0.00709740 0.00727068 -0.02634503
-8.98065704 -10.85377500 16.44783927
0.00039710 0.00024096 0.00017843
-0.05454715 -0.01812581 -0.03167330
6.75728758 1.59511694 -27.86565996
0.00022869 -0.00002179 0.00012951
-0.00848310 -0.00496686 -0.03731260
12.65260849 18.83085377 13.05287011
-0.00004510 -0.00022788 -0.00020191
-0.00504890 0.01494370 0.02122677
26.08394042 7.50375508 -11.07980105
-0.00018623 0.00011664 0.00001721
0.02969295 -0.00192167 -0.02332074
5.29730846 -29.42471407 -4.60021201
-0.00008015 -0.00048742 -0.00042632
-0.00540852 -0.00565605 0.00470094
4.23955533 -30.15073064 -1.92783504
0.00027865 0.00114040 -0.00002198
-0.00835742 0.00535275 0.01165405
-10.19982612 1.74819288 -9.02061015
-0.00031942 0.00080604 0.00026727
-0.03067708 0.00580210 -0.01073411
-12.09987669 2.76592385 -11.15389899
0.00037617 -0.00014723 0.00020983
0.00429859 -0.00175046 -0.00893660
-36.88856244 2.62578761 2.16518506
-0.00095558 0.00068992 0.00000669
-0.00390138 0.02065521 -0.00331078
-37.74429124 0.31393754 3.78553084
-0.00022240 0.00009820 0.00068135
0.03217745 0.01682891 -0.01554129
-8.79318362 -4.45571040 1.56197293
0.00010676 0.00052395 -0.00118449
-0.01264704 -0.00963782 -0.00596324
-6.27249063 -4.85575099 3.08268512
0.00048070 0.00015165 -0.00026778
-0.00641325 -0.00033453 -0.00199007
2.54982870 0.08184858 7.14920509
0.00076708 0.00003339 -0.00072984
0.00321526 -0.00859257 -0.00891347
1.57373487 1.85100737 9.22180704
0.00023380 -0.00037063 -0.00007288
0.00860059 -0.02666344 0.00422757
-30.32485931 -0.35385690 2.38901228
-0.00021683 0.00055979 -0.00006594
-0.00179847 0.00308417 0.00734020
-32.70819385 1.21524683 2.97795878
-0.00064846 -0.00130147 -0.00033155
-0.03418468 -0.00741366 0.00322004
15.38869007 12.31436208 -18.23004817
-0.00074992 -0.00114841 -0.00055082
0.03165056 0.01313257 0.00682349
18.08186397 12.14009756 -16.87965261
-0.00064841 0.00115113 -0.00076888
0.01353059 -0.01096342 0.00531591
-3.03980074 6.86906444 6.26441332
-0.00010657 -0.00012878 -0.00017287
0.00415102 0.01452067 0.01318609
-2.98665812 5.53612921 3.80361242
-0.00047482 -0.00060760 0.00071459
-0.00000204 -0.00563675 0.00420194
5.83135157 16.35530011 -8.66436771
-0.00040980 0.00074661 0.00044841
0.00689737 0.01309462 0.01602759
7.35191481 18.10167928 -7.01837675
-0.00057798 0.00016481 -0.00027957
0.05322206 0.03187194 0.00138304
7.64478517 5.87824576 -22.87689531
0.00006670 -0.00129366 -0.00149975
-0.01835330 -0.02416635 0.02863821
8.61081937 6.67147726 -20.41329035
0.00032327 0.00071995 -0.00013530
-0.01375636 -0.00667375 0.01467331
19.19379445 21.10607796 -4.12367591
-0.00003271 -0.00081142 -0.00040552
-0.01093255 -0.00649529 0.00999075
19.87848735 19.74112874 -6.38216716
-0.00068376 -0.00030082 -0.00112264
0.00449780 -0.00939874 -0.01182468
2.08801052 12.17635606 -20.55025112
-0.00161913 0.00006243 0.00052811
-0.00351080 -0.01040349 -0.00009418
0.15896930 14.30591302 -21.20920247
0.00034172 -0.00006454 -0.00084204
-0.01144814 0.00260704 -0.00460615
10.87904082 -6.58509951 -0.95738054
-0.00052216 -0.00046737 0.00042233
-0.00639469 -0.00161234 -0.00271320
9.67214267 -3.91230563 -0.55096055
0.00100227 -0.00095532 -0.00014000
-0.01290243 0.01602047 -0.01905162
-18.52384889 -4.84217082 6.88003401
0.00077376 -0.00084436 -0.00010594
-0.00334721 -0.00555827 0.02417653
-18.81904111 -5.21135731 4.16844794
0.00054254 -0.00016723 0.00000996
-0.00734722 -0.00451584 -0.01880365
-14.54955276 -0.11226865 19.15555879
0.00071472 -0.00014172 0.00039999
0.00433939 -0.03066220 0.01642187
-14.06962449 -0.42445911 22.01691590
0.00014729 -0.00012785 0.00010874
-0.00171132 0.00619641 0.02090023
1.58565511 3.54226541 -2.04714447
-0.00107858 -0.00015942 0.00008872
0.00556127 -0.01402083 -0.01097173
1.97983370 2.07713560 -4.63197692
0.00023093 0.00072978 -0.00054026
0.00110960 -0.01012996 0.00065482
21.67462195 -10.61363397 -6.17008448
0.00073361 0.00004604 0.00124945
0.00945585 0.00566539 -0.02268987
22.61913953 -9.65932443 -3.47804290
-0.00042088 -0.00071734 -0.00089568
-0.01646342 -0.01253849 -0.02358918
4.69256024 -10.35743709 7.08640678
0.00059483 0.00021032 -0.00105208
-0.01253674 -0.00131664 0.00951278
2.94328709 -11.78874871 9.09263887
-0.00004490 -0.00015062 -0.00030023
0.00710445 0.01203203 -0.00667089
-1.96869796 -3.33135668 -20.61866254
-0.00000063 0.00039775 -0.00038462
-0.00321425 0.02220597 0.01652401
-3.41316696 -1.62269164 -18.64912289
-0.00027378 0.00012444 -0.00013552
-0.02523758 -0.00442209 0.01546861
0.57652845 5.11697835 -9.86281090
0.00007747 0.00047181 0.00069959
-0.00480892 0.00520871 0.00061351
-1.81094397 3.44381739 -9.62006533
-0.00006213 0.00002227 0.00168910
-0.05956913 0.00856804 0.02548232
-3.63422631 14.75221461 15.59221054
0.00004818 0.00156560 0.00068076
0.02431657 -0.00100658 0.01100466
-6.40973091 14.56344084 15.66953959
-0.00052841 0.00088116 0.00020189
-0.00709041 -0.00128918 -0.00663040
-6.76753258 1.87112220 -6.19402098
-0.00050073 0.00050628 0.00000449
0.01331040 -0.00274083 -0.01294502
-5.02966767 1.27810624 -8.49946482
0.00087513 0.00007657 0.00048466
-0.00285706 -0.01347379 -0.01185352
-10.24337571 -0.48203726 -3.39735746
0.00048884 0.00006178 0.00003881
-0.01822017 -0.01916593 0.00991921
-9.15939613 2.15305666 -3.11451053
-0.00121465 -0.00098524 0.00067899
-0.00153265 0.02382792 0.01889849
2.60582951 29.08413065 5.00065650
0.00134293 0.00013286 0.00038075
-0.00388884 0.00015981 -0.00154420
3.43811937 28.02370782 7.48712865
0.00014236 0.00039578 0.00050174
0.01306564 0.01176843 0.05223636
8.31053573 -10.15247829 -1.35120573
0.00058953 -0.00123478 0.00047434
0.00023721 -0.00002494 0.00496103
10.88985549 -11.21449185 -0.07575116
0.00087858 0.00049511 0.00052493
-0.01148890 -0.00195153 0.00720011
-5.22526374 -0.11386906 8.92634385
0.00021296 0.00076002 -0.00005344
-0.03156723 0.02377459 0.00163366
-8.10102730 -0.26717372 9.33680578
-0.00085312 0.00035208 -0.00022829
-0.00242775 0.00523294 -0.00052724
20.55391825 11.01970100 8.86427945
-0.00037549 0.00035365 -0.00078797
-0.00644565 -0.00909984 -0.02612207
22.24598290 11.57889952 6.61239164
-0.00097643 -0.00101536 -0.00049265
-0.03686700 -0.02090485 0.00707125
-2.83546498 0.67354732 -22.12228903
-0.00007381 -0.00120516 0.00080766
0.01107326 -0.02238926 0.05697763
-4.86824147 1.02755009 -24.07333837
0.00137806 0.00016468 -0.00011985
-0.01479910 0.00208652 0.00123041
-12.68073951 9.46195475 9.75495479
-0.00009993 0.00026586 0.00003855
-0.01339060 -0.00613329 -0.01365723
-13.75348158 9.95830858 7.15997878
0.00072769 -0.00099243 -0.00019888
-0.00562339 0.00600227 -0.01022417
-13.81902750 5.10582806 -4.76406550
-0.00064510 -0.00011611 0.00024130
-0.00685889 -0.00720360 0.00109322
-14.37319984 7.64859692 -3.47533211
0.00098893 -0.00025200 -0.00034443
0.00494771 0.00188262 -0.00893899
-4.01882756 -15.58908330 20.15992128
-0.00057880 -0.00024514 -0.00040378
0.00592478 0.00445359 0.00877324
-1.48923487 -16.58435068 19.43003984
-0.00031360 -0.00015622 0.00043657
-0.00229168 0.00980410 0.00892207
-6.16260819 5.81468553 -7.59970579
0.00083501 0.00042189 0.00098967
0.00320212 -0.01590636 -0.00160955
-7.21127441 8.52739958 -7.21927742
-0.00102147 -0.00109838 0.00088521
0.00600394 0.00189719 -0.00410049
-21.22103878 29.82636178 0.03447654
0.00016762 -0.00081715 0.00096589
0.02166824 0.00124322 0.01681998
-18.38120304 29.35739439 1.39897947
0.00055437 0.00057089 -0.00041993
-0.00525707 -0.00459881 -0.01444763
9.19000119 2.89954498 6.45225254
0.00040796 -0.00128964 -0.00089434
-0.00254659 0.00509653 0.00815060
9.15416460 5.46344896 8.03298510
-0.00049179 0.00090158 0.00007778
-0.00189955 0.00392509 -0.00670823
8.33114397 17.27516942 -12.17627841
-0.00084495 0.00032881 -0.00026891
0.00690692 0.00674333 -0.00448532
8.21679921 14.46895557 -11.70484331
0.00124709 0.00041512 -0.00073700
0.00355893 -0.00789188 -0.00332187
12.25816032 5.99748565 -1.45109867
0.00059139 -0.00058719 0.00060870
-0.01796200 0.00544883 0.00506163
13.90677319 4.27555382 0.43624294
0.00006456 -0.00070345 0.00027027
-0.01164820 0.00681300 -0.01143387
-4.16205047 11.13309881 -1.98475722
-0.00021464 0.00021506 0.00061089
-0.00927244 0.00482642 -0.02032969
-6.58864446 10.43118520 -0.72641371
-0.00092966 0.00082615 -0.00022229
-0.00348812 0.01785928 -0.02355109
7.25464695 14.34683827 4.40207866
-0.00015464 0.00030169 0.00033009
0.01359220 -0.02132800 0.00751255
9.04256001 11.95586117 3.92096397
-0.00077530 0.00085810 0.00105096
-0.00242082 0.00542663 0.00245812
20.40437618 -12.81265156 -8.98924085
0.00099841 -0.00031855 -0.00002626
0.00248003 -0.00331855 0.00394390
23.38792235 -12.38332092 -8.54477435
0.00015960 0.00026628 0.00014240
-0.02432208 -0.00353792 -0.01511042
19.77166399 -4.89319323 -2.84295062
0.00064155 -0.00023352 0.00047054
0.00425532 0.00393181 0.00717000
18.33454322 -6.93735121 -1.51556461
0.00032509 0.00041092 0.00035620
0.01732068 0.00616554 0.00997535
13.70831621 9.52523624 8.48241733
0.00069073 0.00009749 0.00035169
-0.00053639 -0.00244681 -0.00064903
14.93545558 7.93437110 10.57493818
0.00029627 -0.00059869 0.00054910
0.00019291 -0.00384349 -0.02358113
2.97736255 -15.04511791 17.37208981
-0.00010675 -0.00089758 -0.00023910
-0.01187992 -0.02398835 0.00733996
3.98167813 -12.34726583 17.49018105
-0.00055592 0.00117571 -0.00066455
-0.00209104 -0.00610069 -0.01512947
-2.77483836 -3.89082621 -12.71410992
-0.00001727 0.00020069 -0.00000989
-0.00053490 -0.02114598 0.01855986
-1.22277555 -1.35255458 -13.04916812
-0.00047181 0.00015545 -0.00037698
-0.00212346 -0.01845114 -0.00886555
16.12247097 -7.90031471 -14.79668485
-0.00007044 0.00063824 0.00033776
0.01026571 -0.00406913 -0.00483478
16.50564813 -7.96947160 -11.72055864
-0.00013230 -0.00069067 -0.00116299
0.00329170 -0.00007197 -0.00946646
7.80533056 -4.00198370 6.45895779
0.00103683 0.00056511 0.00077501
0.00734127 0.00285338 -0.01345096
10.58612664 -3.86688911 5.22423760
0.00045910 -0.00062848 -0.00026964
-0.01362602 -0.00102504 0.00843369
-21.26645510 1.02659750 25.10154968
0.00019182 -0.00017467 0.00004535
0.04349092 -0.00227692 -0.00550358
-19.20456831 2.95340204 25.81462250
0.00044374 0.00021940 0.00006709
0.00237454 0.00486757 0.00644455
25.40858920 -2.83882504 -7.30751512
-0.00071773 0.00089100 -0.00023730
0.00120151 0.00400454 0.01413597
24.32222715 -1.11566027 -9.22498422
-0.00163447 -0.00014982 0.00011158
-0.00432768 0.01157660 0.01603263
11.69218920 -10.00010447 -9.37232227
-0.00049714 0.00021831 -0.00078624
0.01027563 0.00272472 0.01799498
12.75591613 -9.25204187 -12.07856424
0.00060345 -0.00045731 -0.00044940
-0.00336122 -0.00263159 0.01247632
-7.74010861 -10.59949495 17.67396454
0.00033221 0.00005900 -0.00009802
0.04139525 0.00615428 0.02397758
-10.28852406 -11.45751189 17.62647761
0.00031929 0.00055258 0.00052165
-0.00326094 0.00972609 -0.01266257
7.90607276 2.06696771 -29.29874533
0.00018742 0.00021286 -0.00049022
0.00512280 -0.00919781 0.01142516
5.43674360 0.72405488 -28.90698145
-0.00013773 -0.00034397 0.00026264
0.00767397 0.00905571 0.02320389
14.36736077 19.17008316 13.49831886
-0.00078768 0.00002520 -0.00070292
0.00839249 0.00397918 0.01398197
12.93502452 17.85970966 11.61278472
0.00073453 0.00038725 0.00021093
-0.00127448 -0.02403424 -0.03452078
27.84430983 7.68825942 -11.74764743
-0.00016456 -0.00014370 0.00048210
-0.01946543 0.00028163 0.00009215
26.35391859 7.70787160 -9.30623920
-0.00062933 -0.00018368 -0.00001279
-0.00148091 0.00050004 0.01949888
-7.94850389 4.64861131 6.07946080
0.00012799 0.00016227 0.00004274
0.00144421 -0.00865819 0.00372792
-10.50089280 9.20382887 2.89696297
0.00011327 -0.00005276 0.00007409
0.01259881 -0.00510372 0.01174395
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.07720377
0.30118729
401.31696627
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0606831395
ExchangeOperator: pair fraction: ispin=0: 0.1506327745
ExchangeOperator: bisection time: 1.605 s
total exchange = -52.3985497512 (a.u.)
total exchange computation time: 2.8898649216 s
-154.2848738895
-931.37935749
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0606831395
ExchangeOperator: pair fraction: ispin=0: 0.1506327745
ExchangeOperator: bisection time: 1.604 s
total exchange = -52.3980097703 (a.u.)
total exchange computation time: 2.8873391151 s
-154.2899811991
Anderson extrapolation: theta=1.3508919716 (1.3508919716)
-931.37958476
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0606831395
ExchangeOperator: pair fraction: ispin=0: 0.1506327745
ExchangeOperator: bisection time: 1.603 s
total exchange = -52.3971826180 (a.u.)
total exchange computation time: 2.8876919746 s
-154.2973712302
Anderson extrapolation: theta=0.0552759213 (0.0552759213)
-931.37972224
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0606831395
ExchangeOperator: pair fraction: ispin=0: 0.1506327745
ExchangeOperator: bisection time: 1.605 s
total exchange = -52.3970594501 (a.u.)
total exchange computation time: 2.8882949352 s
-154.2982268736
Anderson extrapolation: theta=2.0332546802 (2.0000000000)
-931.37972820
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0606831395
ExchangeOperator: pair fraction: ispin=0: 0.1506327745
ExchangeOperator: bisection time: 1.602 s
total exchange = -52.3967896992 (a.u.)
total exchange computation time: 2.8877489567 s
-154.3000385989
Anderson extrapolation: theta=0.2580855801 (0.2580855801)
-931.37973523
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0606831395
ExchangeOperator: pair fraction: ispin=0: 0.1506327745
ExchangeOperator: bisection time: 1.603 s
total exchange = -52.3967146947 (a.u.)
total exchange computation time: 2.8932671547 s
-154.3004930082
Anderson extrapolation: theta=1.7511548631 (1.7511548631)
-931.37973680
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0606831395
ExchangeOperator: pair fraction: ispin=0: 0.1506327745
ExchangeOperator: bisection time: 1.604 s
total exchange = -52.3966034508 (a.u.)
total exchange computation time: 2.8887920380 s
-154.3011139489
Anderson extrapolation: theta=0.3139042424 (0.3139042424)
-931.37973871
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0606831395
ExchangeOperator: pair fraction: ispin=0: 0.1506327745
ExchangeOperator: bisection time: 1.604 s
total exchange = -52.3965897414 (a.u.)
total exchange computation time: 2.8899810314 s
-154.3011352018
Anderson extrapolation: theta=1.2042310352 (1.2042310352)
-931.37973920
-25.533383 72.440000 -212.704043
562.951395 1075.169034 -404.397517
537.418012 1147.609034 -617.101561
1409.481802
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0606831395
ExchangeOperator: pair fraction: ispin=0: 0.1506327745
ExchangeOperator: bisection time: 1.605 s
total exchange = -52.3965897411 (a.u.)
total exchange computation time: 2.8881080151 s
679.14438446
-1084.69143331
89.81653965
-388.39855000
-174.85409063
78.77552095
551.60419304
0.00000000
-931.37973956
4.60743125 -30.82173819 -3.56425308
-0.00010036 -0.00018699 0.00005906
0.01018234 -0.00261564 -0.01079461
-11.99337313 2.06190804 -9.46304621
0.00048031 -0.00000389 0.00016558
0.01539674 -0.00183102 0.02182975
-36.19234868 1.23941015 3.12487244
0.00011036 0.00022645 -0.00000596
-0.03121761 -0.03576720 0.02309477
-7.50074197 -3.61254630 2.53115698
0.00008281 0.00020726 0.00020740
0.01136854 0.00374183 0.00669159
2.25496201 0.10358744 8.94063735
-0.00000681 0.00005316 0.00022172
-0.01339543 0.02772887 0.00078647
-30.95149162 1.35726409 2.74549247
0.00003167 0.00017565 -0.00016007
0.02736856 0.01192398 -0.00655440
17.00339781 13.25894945 -17.85189054
0.00009664 -0.00015979 -0.00038427
-0.05903631 0.00014599 -0.02329551
-3.43600879 5.25489991 5.56029766
0.00007876 -0.00019373 -0.00007484
-0.00473313 -0.00738598 -0.01475188
5.85715953 17.23097913 -6.97089769
-0.00011406 -0.00032858 -0.00002807
-0.05508959 -0.04250215 -0.01570838
7.16116710 5.63015559 -20.98254479
0.00019025 0.00012702 0.00021419
0.02426627 0.02687715 -0.03635234
18.61077147 19.61960401 -5.08727685
-0.00006010 0.00017612 0.00007768
0.01475198 0.00510143 -0.00668706
1.91146782 13.89746555 -21.09857843
0.00012957 0.00017861 -0.00030658
0.02130426 0.00549108 0.00609835
10.28325873 -5.38274478 0.28503265
0.00004314 0.00026369 0.00026165
0.02442007 -0.03095522 0.02409729
-18.36584414 -3.93102782 5.35030117
0.00034508 -0.00020799 -0.00008215
0.01347305 0.00397195 -0.00136944
-14.16672466 -1.43935614 20.53770893
-0.00027290 0.00015609 0.00014888
-0.00268035 0.02527657 -0.04154494
1.59973180 3.67424280 -3.88391350
0.00001774 -0.00003272 -0.00027090
-0.00592470 0.02985030 0.01715927
21.29885017 -10.61369703 -4.43738492
-0.00006236 -0.00009309 -0.00017088
-0.00051710 0.01426198 0.05599252
3.05024914 -10.30648011 7.95888751
-0.00002661 -0.00020925 -0.00006778
0.01343463 -0.00633202 -0.00875401
-1.85604938 -1.83699591 -19.45925902
-0.00001020 -0.00005153 -0.00017723
0.02447216 -0.01388779 -0.03255283
-0.20191420 3.51593689 -10.20658661
-0.00023009 0.00002050 -0.00061075
0.05828871 -0.00398855 -0.02484393
-5.02358533 14.62270058 14.48797324
0.00002317 0.00000052 -0.00016877
-0.01499923 0.00239211 -0.00535896
-5.49609777 2.59155545 -7.37702743
0.00019216 0.00032418 0.00013214
-0.01468653 0.00531062 0.02623147
-9.17416058 0.70806020 -4.16189577
-0.00009106 0.00020633 0.00006890
0.02236111 0.00001152 -0.02804496
2.96194007 27.52913356 5.88756142
-0.00021159 -0.00027873 -0.00028454
-0.00913071 -0.00404829 -0.03503798
10.04256423 -10.63486771 -1.60406072
-0.00025062 -0.00036688 0.00029885
0.01055928 0.00480471 -0.02628703
-6.79715606 1.01103410 9.20991535
0.00009517 -0.00005736 0.00007973
0.03087030 -0.03095435 -0.00455805
20.44821134 10.82545986 6.98203013
-0.00011301 0.00001843 0.00003193
0.03865165 0.02035702 0.01807472
-3.09837082 1.09187987 -23.78681268
-0.00013333 0.00005259 -0.00031574
0.01578075 0.01705212 -0.04215198
-13.92789262 8.76823538 8.51234684
0.00046646 0.00022227 0.00014065
0.01697747 -0.00751361 0.03190270
-13.42496283 6.09751946 -3.29094863
-0.00026627 -0.00007624 -0.00006623
0.00778940 0.01062494 -0.00425347
-2.24605362 -15.34773689 20.60604567
-0.00009724 -0.00006577 -0.00010035
-0.01189394 -0.01745609 -0.01528407
-5.99956564 7.51880189 -8.18732448
0.00008175 0.00032118 0.00028314
-0.00881972 0.02467783 -0.00136572
-19.81489575 30.47116726 1.09453886
0.00018570 -0.00028117 -0.00035121
-0.01272460 0.00923091 0.00067137
9.88422881 3.78059128 7.92847465
-0.00004482 0.00004905 0.00016718
-0.00079743 -0.00518293 -0.01455563
7.16903142 15.95316030 -11.75172547
0.00001136 0.00028245 0.00020143
-0.01053253 -0.00941248 0.00992989
13.83154810 5.20482309 -1.17549337
-0.00046316 -0.00017538 -0.00013488
0.04238617 -0.02667077 0.00543223
-5.99711646 11.44753588 -2.20904036
-0.00034661 0.00001905 0.00008956
0.03118980 -0.01925239 0.05875330
7.94453062 12.77855834 5.16998581
-0.00001902 -0.00048394 0.00012086
-0.02101369 0.02712895 -0.00582308
21.91841809 -12.07250461 -9.69245466
-0.00047536 0.00011749 0.00016582
0.01915905 0.00714881 0.01256560
19.92248423 -5.97484264 -1.32387109
-0.00027348 0.00004119 0.00030950
-0.02181813 -0.00398451 -0.00655795
14.63441993 7.97896928 8.69399075
0.00019342 0.00012932 0.00010740
0.00924329 0.00155424 0.03354398
3.79548071 -13.81657645 16.35723526
0.00000962 0.00008604 0.00016356
0.01295697 0.02967559 0.00485206
-2.55326682 -2.46880535 -13.74160563
0.00010102 0.00008278 0.00015408
-0.00114188 0.04061373 -0.01180492
15.52410779 -7.36678588 -13.15243837
0.00007272 -0.00003560 -0.00008256
-0.02139541 0.00978687 0.02192621
9.57646771 -3.60946740 6.74201090
0.00012173 -0.00029046 -0.00017718
0.01827790 0.00609570 0.00124841
-19.38916472 1.38295702 24.90125962
-0.00006017 -0.00000064 0.00000211
-0.04518240 -0.00577021 -0.00090433
24.38203596 -1.28436268 -7.36343505
-0.00019409 0.00010260 -0.00004999
0.00040073 -0.00457737 -0.02939347
11.65827340 -10.43733199 -11.12052738
-0.00000379 -0.00020091 -0.00027311
-0.00594443 0.00765946 -0.03020775
-8.97491094 -10.85023055 16.45039362
0.00036845 0.00023150 0.00016208
-0.05686918 -0.01864047 -0.03193745
6.76068514 1.59477094 -27.86386130
0.00022440 -0.00002433 0.00010958
-0.00817137 -0.00489924 -0.04019201
12.65191253 18.82749314 13.04992337
-0.00004925 -0.00021999 -0.00019058
-0.01110347 0.01575033 0.02281428
26.08126148 7.50549733 -11.07963284
-0.00017118 0.00011556 0.00000513
0.02882048 -0.00227726 -0.02364818
5.29594046 -29.43219875 -4.60646276
-0.00010215 -0.00051117 -0.00040737
-0.00536193 -0.00596919 0.00457294
4.24347896 -30.13346061 -1.92780757
0.00024543 0.00115866 0.00002038
-0.00790364 0.00358646 0.00907917
-10.20555742 1.76046130 -9.01693003
-0.00043279 0.00082732 0.00022641
-0.02482068 0.00461451 -0.00926809
-12.09410246 2.76366173 -11.15102539
0.00039327 -0.00015353 0.00017187
0.00407573 -0.00133166 -0.00964713
-36.90301573 2.63676942 2.16518391
-0.00096618 0.00076736 -0.00000146
-0.00128439 0.01724939 -0.00067663
-37.74664128 0.31592628 3.79527487
-0.00008646 0.00016888 0.00061563
0.03436684 0.01776981 -0.01662911
-8.79196974 -4.44814645 1.54402291
0.00006227 0.00048814 -0.00120328
-0.00912964 -0.00789293 -0.00323655
-6.26547658 -4.85348644 3.07860741
0.00045232 0.00015129 -0.00027704
-0.00748333 0.00015860 -0.00254243
2.56143348 0.08208605 7.13798442
0.00077696 -0.00000126 -0.00074883
0.00161956 -0.00836566 -0.00038492
1.57750540 1.84463085 9.22084336
0.00026657 -0.00047318 -0.00005500
0.00744129 -0.02353413 0.00452512
-30.32816687 -0.34536554 2.38824810
-0.00021977 0.00056688 -0.00003749
0.00036017 0.00038688 0.00658548
-32.71896820 1.19549761 2.97308418
-0.00077438 -0.00132829 -0.00031984
-0.02745724 -0.00571550 0.00251185
15.37841121 12.29753835 -18.23810136
-0.00060959 -0.00108806 -0.00051995
0.03703905 0.01640848 0.00828519
18.07255251 12.15702855 -16.89102285
-0.00058153 0.00109300 -0.00073658
0.01920563 -0.01749128 0.01049212
-3.04127213 6.86757768 6.26222430
-0.00008964 -0.00006986 -0.00011905
0.00413689 0.01432309 0.01315982
-2.99378042 5.52684243 3.81445999
-0.00047096 -0.00062846 0.00071743
0.00188862 -0.00457485 -0.00280994
5.82541600 16.36690050 -8.65715040
-0.00038215 0.00079416 0.00050526
0.00663561 0.01018015 0.01180192
7.34487597 18.10512804 -7.02252794
-0.00036015 0.00029587 -0.00027367
0.05340826 0.03228273 0.00150536
7.64522334 5.85810030 -22.89851394
-0.00000836 -0.00139080 -0.00137225
-0.01839277 -0.02338535 0.03377122
8.61524683 6.68207207 -20.41487025
0.00026410 0.00069004 -0.00007863
-0.01520571 -0.00797181 0.01306645
19.19296884 21.09370765 -4.12945261
-0.00007243 -0.00082679 -0.00035872
-0.00851301 -0.00103066 0.01291840
19.86836880 19.73632840 -6.39936909
-0.00067044 -0.00033870 -0.00116469
0.00201939 -0.00914365 -0.00875951
2.06361592 12.17697377 -20.54233239
-0.00163098 0.00002315 0.00052622
-0.00228657 -0.00882436 -0.00082989
0.16374435 14.30502483 -21.22197419
0.00029138 -0.00005070 -0.00086172
-0.01319685 0.00416900 -0.00502602
10.87101253 -6.59215946 -0.95112873
-0.00054896 -0.00047289 0.00041375
-0.00672835 -0.00109236 -0.00148670
9.68678136 -3.92614458 -0.55364435
0.00094277 -0.00087420 -0.00022555
-0.01622178 0.02368864 -0.02282687
-18.51234510 -4.85500656 6.87918574
0.00076072 -0.00086407 -0.00001157
-0.00303326 -0.00409126 0.02202081
-18.81112812 -5.21400421 4.16802110
0.00051187 -0.00018669 -0.00006858
-0.00766800 -0.00500736 -0.01964329
-14.53869896 -0.11533404 19.16206184
0.00073047 -0.00026327 0.00046399
0.00336829 -0.02883495 0.01490804
-14.06746764 -0.42618695 22.01918751
0.00014020 -0.00010119 0.00019592
-0.00175617 0.00685248 0.02177151
1.56964689 3.53944446 -2.04614986
-0.00105530 -0.00021693 0.00003798
0.00583098 -0.01413125 -0.01386889
1.98333162 2.08777186 -4.64006083
0.00023728 0.00068043 -0.00054023
0.00200118 -0.01402650 -0.00064005
21.68591593 -10.61276979 -6.15203794
0.00077528 0.00006794 0.00113401
0.01093995 0.00505577 -0.03382110
22.61232181 -9.67046882 -3.49220088
-0.00048008 -0.00076267 -0.00098314
-0.01251593 -0.00964940 -0.01922714
4.70109846 -10.35432267 7.07091713
0.00053228 0.00020405 -0.00100582
-0.01807776 -0.00175321 0.01313039
2.94283133 -11.79063929 9.08793099
-0.00001507 -0.00010347 -0.00032622
0.00749515 0.01104963 -0.00604880
-1.96880590 -3.32470994 -20.62392545
-0.00001414 0.00048531 -0.00031868
-0.00339951 0.02065653 0.01575429
-3.41804704 -1.62096058 -18.65068164
-0.00037155 0.00010544 -0.00007521
-0.02262194 -0.00487546 0.01405289
0.57754315 5.12421504 -9.85229831
0.00005352 0.00048159 0.00069930
-0.00691702 -0.00042080 -0.00075462
-1.81370131 3.44441400 -9.59394792
-0.00028911 0.00005693 0.00178943
-0.05153957 0.00839595 0.02362697
-3.63275851 14.77566770 15.60275910
0.00013720 0.00156064 0.00071752
0.01926192 -0.00141767 0.00699313
-6.41787433 14.57661866 15.67236475
-0.00054995 0.00087581 0.00016832
-0.00345137 -0.00132855 -0.00980205
-6.77463562 1.87863241 -6.19435034
-0.00044350 0.00049600 -0.00005043
0.01470056 -0.00229334 -0.01393722
-5.01662831 1.27884189 -8.49255807
0.00086229 0.00002349 0.00043856
-0.00342459 -0.01250634 -0.01071544
-10.23660150 -0.48169788 -3.39647136
0.00041226 -0.00002132 0.00007940
-0.01926294 -0.02151325 0.00994999
-9.17766279 2.13900820 -3.10374664
-0.00121939 -0.00087886 0.00076070
-0.00078739 0.02824739 0.02110161
2.62585427 29.08612848 5.00632038
0.00132564 0.00013666 0.00037046
-0.00457450 0.00169881 -0.00349286
3.44065517 28.03000511 7.49625539
0.00018964 0.00043582 0.00069463
0.01007556 0.00783323 0.04218516
8.31938596 -10.17100074 -1.34393861
0.00057457 -0.00123061 0.00049732
-0.00756036 0.00206472 0.00628957
10.90268220 -11.20712497 -0.06765657
0.00082854 0.00048828 0.00054970
-0.01300810 -0.00139398 0.00492540
-5.22303665 -0.10174030 8.92559228
0.00008469 0.00085324 -0.00004685
-0.03122084 0.02185747 0.00159528
-8.11389845 -0.26173211 9.33336525
-0.00085677 0.00037633 -0.00023107
0.00063768 0.00663794 -0.00083119
20.54808842 11.02472696 8.85165939
-0.00040091 0.00031725 -0.00088436
-0.00599826 -0.00871787 -0.02106166
22.23020680 11.56302854 6.60521859
-0.00111936 -0.00109671 -0.00046493
-0.03309890 -0.01891809 0.00649976
-2.83623288 0.65478381 -22.10842809
-0.00003292 -0.00128958 0.00101018
0.00894350 -0.01893210 0.04215715
-4.84802401 1.03008419 -24.07509837
0.00129048 0.00017252 -0.00011972
-0.02807543 0.00175285 -0.00116636
-12.68264874 9.46575463 9.75511450
-0.00015086 0.00024284 -0.00001428
-0.01154314 -0.00513109 -0.01220010
-13.74273857 9.94360610 7.15668226
0.00070597 -0.00096313 -0.00024609
-0.00500569 0.00833680 -0.01288705
-13.82891424 5.10386566 -4.76041253
-0.00067366 -0.00014740 0.00024401
-0.00711733 -0.00811405 0.00023566
-14.35821433 7.64487466 -3.48077245
0.00100272 -0.00023352 -0.00038165
0.00180649 0.00716437 -0.00928105
-4.02732800 -15.59262389 20.15413335
-0.00054705 -0.00022574 -0.00036583
0.00961736 0.00504047 0.00980617
-1.49400912 -16.58639348 19.43686174
-0.00032086 -0.00011914 0.00046966
-0.00126115 0.00834344 0.00727691
-6.14998494 5.82052641 -7.58491001
0.00084953 0.00035741 0.00098119
0.00390681 -0.01565375 -0.00254349
-7.22641252 8.51098195 -7.20612495
-0.00099372 -0.00108973 0.00086548
0.00758290 0.00233899 -0.00555661
-21.21786054 29.81414262 0.04948034
0.00025126 -0.00081447 0.00102976
0.01927606 0.00006984 0.01444412
-18.37304853 29.36581675 1.39223785
0.00053541 0.00054926 -0.00047821
-0.00402749 -0.00598941 -0.01408106
9.19604261 2.88035659 6.43908724
0.00040266 -0.00125889 -0.00084874
-0.00005159 0.00995395 0.01416984
9.14672960 5.47709289 8.03394624
-0.00049480 0.00090511 0.00004832
0.00042475 -0.00219716 -0.00771055
8.31868130 17.28030818 -12.18044951
-0.00081296 0.00036145 -0.00028818
0.00875643 0.00923527 -0.00494760
8.23561459 14.47494047 -11.71600010
0.00125538 0.00039027 -0.00075031
0.00049810 -0.00426894 -0.00319568
12.26648082 5.98884484 -1.44181314
0.00049863 -0.00055495 0.00062655
-0.02744524 0.01033023 0.00368091
13.90738461 4.26521090 0.43994661
0.00001650 -0.00067152 0.00021653
-0.01187524 0.00881304 -0.01487035
-4.16555415 11.13647256 -1.97621681
-0.00025499 0.00023450 0.00052798
-0.01048092 0.00469222 -0.02025491
-6.60269619 10.44412476 -0.73046976
-0.00094484 0.00089514 -0.00031352
-0.00394597 0.01590798 -0.02110770
7.25274380 14.35071003 4.40726027
-0.00009641 0.00020815 0.00036405
0.01491146 -0.02445990 0.00911034
9.03085626 11.96889895 3.93680364
-0.00077160 0.00086988 0.00104505
0.00423468 0.00034080 -0.00534715
20.41942827 -12.81753151 -8.98951382
0.00099357 -0.00033858 -0.00000356
-0.00484796 -0.00648502 0.00716694
23.38957112 -12.37943508 -8.54310137
0.00005626 0.00025290 0.00007723
-0.02626701 -0.00301154 -0.01679304
19.78141759 -4.89657556 -2.83567275
0.00065808 -0.00021552 0.00049645
0.00383603 0.00488059 0.00550947
18.33995033 -6.93099851 -1.50991593
0.00038728 0.00043131 0.00039561
0.01311986 0.00381644 0.00931569
13.71866069 9.52662358 8.48767281
0.00068596 0.00009158 0.00034897
-0.00179872 -0.00044499 -0.00068179
14.93990557 7.92527294 10.58245208
0.00029608 -0.00061328 0.00044818
-0.00028484 -0.00329679 -0.02582160
2.97539728 -15.05931674 17.36872823
-0.00015066 -0.00098698 -0.00021242
-0.00961560 -0.01977056 0.00572127
3.97327532 -12.32981712 17.47974921
-0.00056545 0.00114514 -0.00072610
-0.00257452 -0.00886435 -0.01499874
-2.77511374 -3.88846384 -12.71368960
-0.00001931 0.00011278 0.00006752
-0.00046806 -0.02188724 0.01933291
-1.22991779 -1.35078819 -13.05509452
-0.00047491 0.00008394 -0.00040982
0.00060534 -0.01655563 -0.00720718
16.12172899 -7.89086585 -14.79176654
-0.00002652 0.00061928 0.00030991
0.01123101 -0.00520784 -0.00879798
16.50376446 -7.97983382 -11.73829358
-0.00011303 -0.00069405 -0.00119235
0.00614141 -0.00158319 -0.00490262
7.82110801 -3.99341967 6.47017080
0.00104889 0.00057233 0.00071578
-0.00144155 0.00068249 -0.01554479
10.59259553 -3.87634770 5.22045140
0.00040015 -0.00063203 -0.00023182
-0.01522976 -0.00071204 0.01007822
-21.26224515 1.02390762 25.10206121
0.00036657 -0.00018346 0.00002354
0.04205350 -0.00202519 -0.00517116
-19.19783939 2.95684214 25.81582640
0.00045185 0.00023560 0.00009131
0.00159439 0.00306663 0.00540734
25.39786006 -2.82533731 -7.31064152
-0.00070607 0.00089659 -0.00017916
0.00450448 -0.00127068 0.01432482
24.29757743 -1.11755282 -9.22281926
-0.00165118 -0.00010214 0.00017520
-0.00384908 0.01176234 0.01511179
11.68504699 -9.99674630 -9.38356438
-0.00045504 0.00023122 -0.00070650
0.01033069 0.00359440 0.02103541
12.76486492 -9.25898213 -12.08492293
0.00058724 -0.00046980 -0.00039648
-0.00457263 -0.00348414 0.01343069
-7.73385705 -10.59842137 17.67322905
0.00050364 0.00008440 0.00000118
0.04252081 0.00627759 0.02458083
-10.28383468 -11.44892514 17.63391439
0.00030717 0.00059294 0.00046850
-0.00266886 0.01003158 -0.01335591
7.90904102 2.06987870 -29.30574853
0.00020490 0.00017354 -0.00043966
0.00343693 -0.01004615 0.01332609
5.43491284 0.71917280 -28.90233083
-0.00010344 -0.00030498 0.00035870
0.00911197 0.01003021 0.02382052
14.35580280 19.17058308 13.48820356
-0.00074097 0.00004551 -0.00064069
0.01447254 0.00596197 0.01647705
12.94600344 17.86478190 11.61489090
0.00072909 0.00028333 0.00006154
-0.00138866 -0.02683638 -0.03861029
27.84124491 7.68611258 -11.74041308
-0.00024245 -0.00014232 0.00048203
-0.01866169 0.00039161 -0.00012513
26.34443324 7.70513178 -9.30583361
-0.00063533 -0.00018134 0.00006861
-0.00145570 0.00064180 0.02034769
-7.94658011 4.65102207 6.08011192
0.00012847 0.00015917 0.00004408
0.00122779 -0.00861830 0.00377585
-10.49917176 9.20302866 2.89809478
0.00011625 -0.00005392 0.00007683
0.01300691 -0.00494351 0.01183587
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.07744991
0.30228965
402.78580338
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0606831395
ExchangeOperator: pair fraction: ispin=0: 0.1506327745
ExchangeOperator: bisection time: 1.514 s
total exchange = -52.4061910004 (a.u.)
total exchange computation time: 2.8881299496 s
-154.3132966799
-931.37889158
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0606831395
ExchangeOperator: pair fraction: ispin=0: 0.1506327745
ExchangeOperator: bisection time: 1.514 s
total exchange = -52.4055989683 (a.u.)
total exchange computation time: 2.8900389671 s
-154.3188924488
Anderson extrapolation: theta=1.3505864760 (1.3505864760)
-931.37911479
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0606831395
ExchangeOperator: pair fraction: ispin=0: 0.1506327745
ExchangeOperator: bisection time: 1.514 s
total exchange = -52.4047127368 (a.u.)
total exchange computation time: 2.8878262043 s
-154.3268939808
Anderson extrapolation: theta=0.0545043389 (0.0545043389)
-931.37924918
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0606831395
ExchangeOperator: pair fraction: ispin=0: 0.1506327745
ExchangeOperator: bisection time: 1.511 s
total exchange = -52.4045971242 (a.u.)
total exchange computation time: 2.8887279034 s
-154.3277356193
Anderson extrapolation: theta=1.9989151943 (1.9989151943)
-931.37925475
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0606831395
ExchangeOperator: pair fraction: ispin=0: 0.1506327745
ExchangeOperator: bisection time: 1.514 s
total exchange = -52.4043496890 (a.u.)
total exchange computation time: 2.8913948536 s
-154.3294940409
Anderson extrapolation: theta=0.2344889421 (0.2344889421)
-931.37926106
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0606831395
ExchangeOperator: pair fraction: ispin=0: 0.1506327745
ExchangeOperator: bisection time: 1.513 s
total exchange = -52.4042907491 (a.u.)
total exchange computation time: 2.8892099857 s
-154.3298824964
Anderson extrapolation: theta=1.8413742092 (1.8413742092)
-931.37926235
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0606831395
ExchangeOperator: pair fraction: ispin=0: 0.1506327745
ExchangeOperator: bisection time: 1.514 s
total exchange = -52.4042035783 (a.u.)
total exchange computation time: 2.8892760277 s
-154.3304253606
Anderson extrapolation: theta=0.2795195219 (0.2795195219)
-931.37926393
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0606831395
ExchangeOperator: pair fraction: ispin=0: 0.1506327745
ExchangeOperator: bisection time: 1.512 s
total exchange = -52.4042002503 (a.u.)
total exchange computation time: 2.8881258965 s
-154.3304113980
Anderson extrapolation: theta=1.2746410572 (1.2746410572)
-931.37926430
-25.553605 72.449682 -212.678475
562.933515 1075.169346 -404.401999
537.379910 1147.619028 -617.080473
1409.466180
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0606831395
ExchangeOperator: pair fraction: ispin=0: 0.1506327745
ExchangeOperator: bisection time: 1.514 s
total exchange = -52.4042111600 (a.u.)
total exchange computation time: 2.8415210247 s
679.25786687
-1084.94203187
89.81168240
-388.22854145
-174.87402936
78.91389210
551.60419304
0.00000000
-931.37926458
4.60596508 -30.82455307 -3.56340882
-0.00009531 -0.00018784 0.00005426
0.00946380 -0.00070429 -0.00786002
-11.98610909 2.06184269 -9.46047829
0.00048647 -0.00000453 0.00017639
0.00855196 -0.00068259 0.02022026
-36.19081364 1.24266889 3.12487220
0.00009337 0.00020889 0.00000545
-0.03485117 -0.03250381 0.02123873
-7.49945592 -3.60942291 2.53429382
0.00008791 0.00020855 0.00021025
0.00846658 0.00125496 0.00438337
2.25480825 0.10449180 8.94396611
-0.00001289 0.00006634 0.00021989
-0.01025781 0.02354167 -0.00789578
-30.95091100 1.35994490 2.74306620
0.00004323 0.00018211 -0.00016302
0.01756874 0.01316289 -0.00493955
17.00461971 13.25655312 -17.85774452
0.00006370 -0.00015879 -0.00039794
-0.06904782 0.00373859 -0.02982764
-3.43484569 5.25196545 5.55911817
0.00007587 -0.00019760 -0.00008044
-0.00650935 -0.00767300 -0.00701849
5.85523617 17.22588648 -6.97137937
-0.00014165 -0.00034929 -0.00003487
-0.05219855 -0.03804396 -0.01073942
7.16411451 5.63216456 -20.97947210
0.00020295 0.00014080 0.00019466
0.02511605 0.02669546 -0.03959827
18.60992682 19.62226543 -5.08613748
-0.00005255 0.00017717 0.00007257
0.01461507 -0.00100194 -0.01318431
1.91349352 13.90016586 -21.10315360
0.00014054 0.00018059 -0.00030310
0.02137942 0.00221454 0.00744545
10.28400008 -5.37890881 0.28905035
0.00005651 0.00024593 0.00027459
0.02757618 -0.03811135 0.02622305
-18.36061593 -3.93413240 5.34906371
0.00035195 -0.00020639 -0.00008204
0.01322335 0.00226583 0.00178017
-14.17082847 -1.43691735 20.53978190
-0.00027397 0.00016836 0.00012806
-0.00146968 0.02244588 -0.03943052
1.59997501 3.67386719 -3.88791075
0.00001445 -0.00001647 -0.00026114
-0.00685935 0.03333026 0.02076091
21.29791271 -10.61503843 -4.43973211
-0.00006421 -0.00008648 -0.00014075
-0.00664264 0.01147479 0.06116888
3.04990174 -10.30964321 7.95783701
-0.00001850 -0.00021207 -0.00007332
0.01810671 -0.00464516 -0.01277686
-1.85610798 -1.83782249 -19.46204300
0.00000148 -0.00005796 -0.00019315
0.02096647 -0.01109721 -0.02937140
-0.20514071 3.51622896 -10.21584362
-0.00020238 0.00001981 -0.00062224
0.04945561 0.00132835 -0.01987254
-5.02329558 14.62271762 14.48542101
0.00001599 0.00000194 -0.00016962
-0.01291735 0.00313322 0.00203979
-5.49327207 2.59643861 -7.37494419
0.00018453 0.00032641 0.00014545
-0.01495362 0.00336221 0.02553563
-9.17544018 0.71115514 -4.16097043
-0.00007965 0.00020582 0.00005414
0.02200763 -0.00198308 -0.02933818
2.95873107 27.52493695 5.88315811
-0.00021526 -0.00028008 -0.00029920
-0.00515551 -0.00118878 -0.02196688
10.03884560 -10.64035231 -1.59967934
-0.00024279 -0.00036508 0.00028561
0.01988598 0.00219470 -0.02520443
-6.79560937 1.01005425 9.21109366
0.00010994 -0.00007298 0.00007750
0.02654848 -0.02976131 -0.00408762
20.44666530 10.82581482 6.98257877
-0.00009450 0.00002817 0.00003996
0.03331877 0.01753619 0.01316469
-3.10030988 1.09273455 -23.79171133
-0.00012116 0.00006045 -0.00033276
0.03153993 0.01348632 -0.02404428
-13.92083021 8.77154042 8.51457967
0.00047445 0.00021744 0.00015715
0.01410097 -0.01125483 0.03223590
-13.42892679 6.09641681 -3.29195845
-0.00026156 -0.00007201 -0.00006802
0.01049869 0.00582691 -0.00273028
-2.24755805 -15.34879076 20.60448153
-0.00010453 -0.00007438 -0.00010795
-0.01646726 -0.01604533 -0.01428685
-5.99837339 7.52371475 -8.18308262
0.00007665 0.00033353 0.00028300
-0.01103494 0.02334807 0.00081454
-19.81215930 30.46698538 1.08927329
0.00017961 -0.00027571 -0.00035030
-0.01098140 0.01198608 0.00287670
9.88355342 3.78130698 7.93092627
-0.00004634 0.00004671 0.00015841
-0.00511016 -0.00390792 -0.01957618
7.16916122 15.95736069 -11.74866570
0.00000641 0.00027614 0.00020656
-0.00871053 -0.01510710 0.01001636
13.82476420 5.20208949 -1.17749563
-0.00043905 -0.00019070 -0.00013096
0.05136153 -0.03291496 0.00982102
-6.00219526 11.44774744 -2.20747036
-0.00033010 0.00000979 0.00011906
0.03298952 -0.01676411 0.05596647
7.94416422 12.77140384 5.17177618
-0.00003199 -0.00046787 0.00011964
-0.02939558 0.03537544 0.00110257
21.91136163 -12.07071469 -9.68991890
-0.00046322 0.00012194 0.00017173
0.02805380 0.01016693 0.01040425
19.91829783 -5.97424011 -1.31925382
-0.00028337 0.00003957 0.00030673
-0.01661336 -0.00233183 -0.00421902
14.63735692 7.98091514 8.69573116
0.00019861 0.00012944 0.00012509
0.01093882 -0.00111197 0.03522513
3.79567492 -13.81517134 16.35970744
0.00001575 0.00010065 0.00016648
0.01090647 0.02712804 0.00648497
-2.55175586 -2.46740696 -13.73934000
0.00009962 0.00010297 0.00014752
-0.00432176 0.03789608 -0.01369915
15.52511609 -7.36728215 -13.15359222
0.00006077 -0.00002993 -0.00007156
-0.02508577 0.01225626 0.02084599
9.57836422 -3.61380083 6.73935808
0.00013386 -0.00028685 -0.00017639
0.02889615 0.00796525 0.00178930
-19.39024153 1.38292513 24.90128771
-0.00008255 -0.00000312 0.00000182
-0.04183718 -0.00385770 -0.00020611
24.37912621 -1.28284133 -7.36429831
-0.00019488 0.00010160 -0.00006481
-0.00347711 0.00069830 -0.02823952
11.65819361 -10.44031613 -11.12474052
-0.00000658 -0.00019687 -0.00028937
-0.00490627 0.00805057 -0.03301796
-8.96960357 -10.84682991 16.45270158
0.00033906 0.00022191 0.00014588
-0.05740567 -0.01866147 -0.03103346
6.76401966 1.59438714 -27.86237270
0.00022035 -0.00002678 0.00008835
-0.00759210 -0.00464485 -0.04235966
12.65113092 18.82425402 13.04715263
-0.00005637 -0.00021195 -0.00017882
-0.01657058 0.01552455 0.02291618
26.07880489 7.50722201 -11.07964708
-0.00015672 0.00011431 -0.00000689
0.02744361 -0.00261339 -0.02311263
5.29424385 -29.44004926 -4.61243325
-0.00012378 -0.00053585 -0.00038920
-0.00522205 -0.00610867 0.00432333
4.24691821 -30.11597078 -1.92722367
0.00021420 0.00116924 0.00005139
-0.00738379 0.00158961 0.00610121
-10.21280989 1.77301252 -9.01381790
-0.00052002 0.00084348 0.00019224
-0.01787988 0.00329534 -0.00745885
-12.08807844 2.76131801 -11.14874303
0.00040940 -0.00015830 0.00013154
0.00381554 -0.00100330 -0.01009172
-36.91754773 2.64880837 2.16514130
-0.00096570 0.00083058 0.00000138
0.00151662 0.01369678 0.00206457
-37.74688510 0.31900406 3.80399977
0.00005658 0.00024223 0.00054615
0.03565231 0.01813471 -0.01738085
-8.79131538 -4.44106623 1.52587453
0.00003247 0.00045973 -0.00121044
-0.00545987 -0.00601163 -0.00026785
-6.25892116 -4.85121217 3.07437388
0.00041987 0.00015271 -0.00028839
-0.00839978 0.00053249 -0.00301484
2.57313752 0.08181083 7.12674015
0.00078027 -0.00003490 -0.00073381
-0.00000092 -0.00810380 0.00773718
1.58173198 1.83681202 9.22015701
0.00029405 -0.00056138 -0.00003578
0.00600982 -0.01964342 0.00488212
-30.33145236 -0.33685047 2.38788753
-0.00021382 0.00056269 -0.00001221
0.00255376 -0.00243954 0.00578770
-32.73142530 1.17539811 2.96836352
-0.00087105 -0.00134775 -0.00031123
-0.01986429 -0.00380933 0.00170151
15.37040232 12.28172024 -18.24564678
-0.00044972 -0.00101563 -0.00048373
0.04121883 0.01904555 0.00944477
18.06441809 12.17288758 -16.90175007
-0.00049167 0.00100874 -0.00068327
0.02477972 -0.02375428 0.01560587
-3.04248999 6.86696872 6.26084180
-0.00007306 -0.00001307 -0.00006604
0.00397832 0.01347703 0.01278741
-3.00078696 5.51727527 3.82513534
-0.00045927 -0.00064486 0.00069096
0.00383298 -0.00345280 -0.01014540
5.81988710 16.37912479 -8.64920980
-0.00035570 0.00082916 0.00054338
0.00631223 0.00695379 0.00685458
7.34111033 18.11055528 -7.02658688
-0.00014724 0.00042522 -0.00026710
0.05081137 0.03103505 0.00171305
7.64453429 5.83652164 -22.91806286
-0.00008297 -0.00148394 -0.00122590
-0.01812587 -0.02220762 0.03786897
8.61874238 6.69217832 -20.41564936
0.00019966 0.00065523 -0.00002836
-0.01633640 -0.00906568 0.01154476
19.19162150 21.08127418 -4.13443759
-0.00010185 -0.00081929 -0.00029973
-0.00588670 0.00470492 0.01595830
19.85837401 19.73096768 -6.41710785
-0.00066741 -0.00037534 -0.00119364
-0.00053540 -0.00879125 -0.00541149
2.03908118 12.17705068 -20.53446452
-0.00163779 -0.00000880 0.00052103
-0.00105003 -0.00681757 -0.00171148
0.16771061 14.30439214 -21.23505394
0.00023503 -0.00003074 -0.00088312
-0.01438612 0.00560089 -0.00545073
10.86257189 -6.59928636 -0.94496803
-0.00057705 -0.00047637 0.00041015
-0.00701940 -0.00061067 -0.00027662
9.70042588 -3.93853174 -0.55772713
0.00087057 -0.00076355 -0.00032578
-0.01912091 0.03047630 -0.02623549
-18.50102721 -4.86809304 6.87968705
0.00074902 -0.00087710 0.00007257
-0.00269486 -0.00228498 0.01916495
-18.80368508 -5.21695799 4.16639039
0.00048022 -0.00020731 -0.00014949
-0.00782450 -0.00508768 -0.01995886
-14.52763873 -0.12016661 19.16947856
0.00074204 -0.00037614 0.00052069
0.00229861 -0.02641660 0.01284629
-14.06541841 -0.42749482 22.02279341
0.00013284 -0.00007278 0.00028520
-0.00184654 0.00705305 0.02193249
1.55399604 3.53575747 -2.04600522
-0.00103093 -0.00027480 -0.00002370
0.00610039 -0.01419516 -0.01632327
1.98695217 2.09754849 -4.64818396
0.00024706 0.00061618 -0.00054526
0.00278498 -0.01742429 -0.00181760
21.69788038 -10.61159577 -6.13606417
0.00082270 0.00008731 0.00097538
0.01227241 0.00442514 -0.04382759
22.60473703 -9.68220459 -3.50753722
-0.00052153 -0.00079503 -0.00105142
-0.00777116 -0.00619092 -0.01419217
4.70852876 -10.35131570 7.05623220
0.00044875 0.00019594 -0.00094561
-0.02281116 -0.00221308 0.01634071
2.94283493 -11.79185269 9.08285241
0.00001625 -0.00006089 -0.00034920
0.00783698 0.00979247 -0.00520225
-1.96912218 -3.31679725 -20.62822285
-0.00002844 0.00056532 -0.00025686
-0.00360154 0.01850611 0.01450446
-3.42431352 -1.61952831 -18.65137914
-0.00045662 0.00008435 -0.00002166
-0.01901810 -0.00545258 0.01216102
0.57813393 5.13142594 -9.84183198
0.00002133 0.00046910 0.00069328
-0.00883647 -0.00569231 -0.00219199
-1.81961730 3.44552515 -9.56638251
-0.00047805 0.00009106 0.00187930
-0.04094787 0.00831497 0.02036564
-3.63011022 14.79903391 15.61373625
0.00020449 0.00155355 0.00073702
0.01367375 -0.00205232 0.00255099
-6.42622927 14.58971507 15.67458918
-0.00055693 0.00087016 0.00012222
0.00003110 -0.00143361 -0.01276578
-6.78083773 1.88600206 -6.19553385
-0.00038137 0.00048721 -0.00010860
0.01571658 -0.00200752 -0.01453926
-5.00379883 1.27881108 -8.48630804
0.00084677 -0.00002458 0.00039790
-0.00417731 -0.01102542 -0.00918909
-10.23100785 -0.48267697 -3.39497547
0.00033307 -0.00011218 0.00011902
-0.01950413 -0.02296184 0.00944464
-9.19597770 2.12669091 -3.09168950
-0.00122124 -0.00075682 0.00084984
-0.00012072 0.03149023 0.02253368
2.64559868 29.08823041 5.01177021
0.00130578 0.00014647 0.00035256
-0.00514554 0.00310436 -0.00526886
3.44380846 28.03678247 7.50796749
0.00022391 0.00045906 0.00084424
0.00670299 0.00354307 0.03105252
8.32777283 -10.18939665 -1.33628603
0.00052759 -0.00121802 0.00052575
-0.01543756 0.00409764 0.00762395
10.91471170 -11.19984353 -0.05926012
0.00077226 0.00048364 0.00056505
-0.01453912 -0.00087435 0.00258780
-5.22272297 -0.08827198 8.92493847
-0.00004060 0.00093766 -0.00004068
-0.03011297 0.01946966 0.00142310
-8.12673052 -0.25588369 9.32987377
-0.00084808 0.00040607 -0.00023501
0.00361611 0.00791621 -0.00109717
20.54189098 11.02921863 8.83774854
-0.00042448 0.00028270 -0.00095824
-0.00553937 -0.00819512 -0.01510159
22.21240219 11.54599814 6.59844388
-0.00124475 -0.00116912 -0.00044020
-0.02828049 -0.01652543 0.00560352
-2.83645267 0.63486003 -22.09198349
-0.00000098 -0.00135904 0.00115082
0.00669498 -0.01507275 0.02668719
-4.82952718 1.03272571 -24.07692985
0.00114876 0.00017900 -0.00012927
-0.04129683 0.00142105 -0.00350907
-12.68526540 9.46924005 9.75452651
-0.00019351 0.00022435 -0.00006032
-0.00933419 -0.00391996 -0.01033623
-13.73230235 9.92941455 7.15259595
0.00068667 -0.00092513 -0.00030332
-0.00444366 0.01026499 -0.01512761
-13.83923718 5.10140598 -4.75674512
-0.00070314 -0.00018211 0.00024353
-0.00731344 -0.00887580 -0.00046988
-14.34311810 7.64159147 -3.48678159
0.00100387 -0.00019344 -0.00042024
-0.00124785 0.01245294 -0.00961022
-4.03523903 -15.59585556 20.14894640
-0.00050117 -0.00020413 -0.00032393
0.01283867 0.00553886 0.01070595
-1.49886066 -16.58792495 19.44412962
-0.00032364 -0.00008862 0.00049557
-0.00010094 0.00659896 0.00540513
-6.13712225 5.82540793 -7.57027010
0.00086694 0.00029517 0.00096856
0.00461689 -0.01481498 -0.00363897
-7.24108590 8.49470766 -7.19331303
-0.00095970 -0.00107920 0.00083992
0.00906687 0.00281604 -0.00695340
-21.21350094 29.80192773 0.06536936
0.00032398 -0.00081709 0.00108325
0.01631892 -0.00135373 0.01174138
-18.36514086 29.37387205 1.38463326
0.00052143 0.00052214 -0.00053489
-0.00281243 -0.00728591 -0.01366485
9.20208088 2.86177823 6.42679036
0.00040695 -0.00120880 -0.00077906
0.00215506 0.01456731 0.01994026
9.13932063 5.49060217 8.03443483
-0.00048850 0.00088436 0.00001516
0.00266058 -0.00795753 -0.00852478
8.30675528 17.28601292 -12.18492384
-0.00077414 0.00040347 -0.00030915
0.01024690 0.01133196 -0.00531766
8.25446049 14.48066375 -11.72735274
0.00125099 0.00038029 -0.00076296
-0.00264750 -0.00061723 -0.00299250
12.27311931 5.98083713 -1.43230202
0.00036839 -0.00050331 0.00063904
-0.03630874 0.01494753 0.00243197
13.90726823 4.25540810 0.44273894
-0.00003231 -0.00063210 0.00014993
-0.01202019 0.01048427 -0.01773039
-4.16970017 11.14013389 -1.96891774
-0.00029936 0.00025317 0.00044562
-0.01123868 0.00444554 -0.02006422
-6.61698975 10.45803925 -0.73581942
-0.00096237 0.00095530 -0.00039346
-0.00463229 0.01354459 -0.01802359
7.25175451 14.35308273 4.41300022
-0.00003362 0.00010348 0.00040378
0.01582592 -0.02677675 0.01033510
9.01941205 11.98195763 3.95231561
-0.00073949 0.00086024 0.00100607
0.01148285 -0.00506019 -0.01373607
20.43418325 -12.82280890 -8.98934756
0.00095875 -0.00037186 0.00003234
-0.01219525 -0.00980764 0.01040601
23.38961008 -12.37573381 -8.54245757
-0.00005361 0.00024143 0.00000615
-0.02751179 -0.00260644 -0.01799863
19.79140629 -4.89965878 -2.82805722
0.00067286 -0.00019361 0.00051541
0.00339956 0.00584244 0.00377522
18.34616150 -6.92441190 -1.50369633
0.00043112 0.00044146 0.00043209
0.00834166 0.00115428 0.00854428
13.72889492 9.52798365 8.49288651
0.00067607 0.00009383 0.00034618
-0.00303966 0.00154792 -0.00068614
14.94433811 7.91597273 10.58838347
0.00029412 -0.00062558 0.00033948
-0.00067895 -0.00272366 -0.02738760
2.97284272 -15.07472723 17.36571729
-0.00018473 -0.00105806 -0.00019306
-0.00706346 -0.01502315 0.00375543
3.96471472 -12.31291167 17.46839816
-0.00057681 0.00110399 -0.00078646
-0.00298670 -0.01127953 -0.01455042
-2.77541781 -3.88744285 -12.71208444
-0.00002077 0.00002403 0.00014647
-0.00024420 -0.02155713 0.01931459
-1.23702293 -1.35003644 -13.06146261
-0.00046616 0.00002092 -0.00043550
0.00367694 -0.01429118 -0.00536524
16.12167531 -7.88173616 -14.78738742
0.00002099 0.00059605 0.00026645
0.01202414 -0.00616588 -0.01247842
16.50225716 -7.99029306 -11.75632899
-0.00008197 -0.00070385 -0.00120277
0.00906155 -0.00321310 -0.00019936
7.83679711 -3.98481381 6.48043114
0.00102415 0.00057072 0.00064821
-0.01066523 -0.00146964 -0.01752825
10.59813105 -3.88584993 5.21728286
0.00033536 -0.00063441 -0.00018815
-0.01648593 -0.00045287 0.01129938
-21.25545790 1.02109363 25.10225582
0.00053324 -0.00019159 0.00000333
0.03953007 -0.00195372 -0.00472048
-19.19101275 2.96047018 25.81736168
0.00045667 0.00024414 0.00011114
0.00076215 0.00111346 0.00430142
25.38740698 -2.81192746 -7.31289000
-0.00068063 0.00088022 -0.00012048
0.00794890 -0.00674100 0.01439951
24.27269181 -1.11872450 -9.21972814
-0.00166591 -0.00005381 0.00023438
-0.00336149 0.01189743 0.01385633
11.67853792 -9.99316784 -9.39351730
-0.00041281 0.00024723 -0.00061600
0.01034433 0.00424420 0.02326579
12.77353347 -9.26613591 -12.09045851
0.00056643 -0.00048537 -0.00034006
-0.00561420 -0.00413706 0.01418377
-7.72499956 -10.59696305 17.67400002
0.00067647 0.00010955 0.00010002
0.04208131 0.00603516 0.02379827
-10.27930887 -11.43972360 17.64053264
0.00029718 0.00063433 0.00041302
-0.00222501 0.01022511 -0.01380317
7.91221991 2.07217400 -29.31193502
0.00021585 0.00013095 -0.00038191
0.00192241 -0.01080562 0.01493965
5.43364051 0.71490544 -28.89622033
-0.00006413 -0.00026256 0.00045642
0.01012800 0.01073552 0.02401364
14.34513179 19.17144838 13.47909807
-0.00067029 0.00007368 -0.00056874
0.02012327 0.00783092 0.01874473
12.95689726 17.86820943 11.61463081
0.00072287 0.00017032 -0.00010109
-0.00165734 -0.02848205 -0.04099744
27.83703628 7.68398975 -11.73318640
-0.00031565 -0.00014031 0.00048057
-0.01716918 0.00059259 -0.00059396
26.33485869 7.70243128 -9.30418100
-0.00064115 -0.00017856 0.00015191
-0.00139429 0.00072196 0.02042990
-7.94464975 4.65338655 6.08078331
0.00012887 0.00015610 0.00004544
0.00102629 -0.00857085 0.00382678
-10.49740543 9.20221124 2.89926779
0.00011931 -0.00005505 0.00007958
0.01338216 -0.00474430 0.01190721
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.07747437
0.30179021
402.12031960
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0606831395
ExchangeOperator: pair fraction: ispin=0: 0.1506327745
ExchangeOperator: bisection time: 1.511 s
total exchange = -52.4130353167 (a.u.)
total exchange computation time: 2.8432440758 s
-154.3360959022
-931.37681849
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0606831395
ExchangeOperator: pair fraction: ispin=0: 0.1506327745
ExchangeOperator: bisection time: 1.512 s
total exchange = -52.4123362441 (a.u.)
total exchange computation time: 2.8400731087 s
-154.3424677686
Anderson extrapolation: theta=1.3394297307 (1.3394297307)
-931.37704045
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0606831395
ExchangeOperator: pair fraction: ispin=0: 0.1506327745
ExchangeOperator: bisection time: 1.514 s
total exchange = -52.4112976807 (a.u.)
total exchange computation time: 2.8398871422 s
-154.3515257273
Anderson extrapolation: theta=0.0499106996 (0.0499106996)
-931.37717170
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0606831395
ExchangeOperator: pair fraction: ispin=0: 0.1506327745
ExchangeOperator: bisection time: 1.515 s
total exchange = -52.4111654360 (a.u.)
total exchange computation time: 2.8404841423 s
-154.3524529077
Anderson extrapolation: theta=1.8607691529 (1.8607691529)
-931.37717637
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0606831395
ExchangeOperator: pair fraction: ispin=0: 0.1506327745
ExchangeOperator: bisection time: 1.513 s
total exchange = -52.4108932178 (a.u.)
total exchange computation time: 2.8395349979 s
-154.3543164987
Anderson extrapolation: theta=0.2137237282 (0.2137237282)
-931.37718102
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0606831395
ExchangeOperator: pair fraction: ispin=0: 0.1506327745
ExchangeOperator: bisection time: 1.513 s
total exchange = -52.4108253063 (a.u.)
total exchange computation time: 2.8409209251 s
-154.3547481901
Anderson extrapolation: theta=1.8973332180 (1.8973332180)
-931.37718188
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0606831395
ExchangeOperator: pair fraction: ispin=0: 0.1506327745
ExchangeOperator: bisection time: 1.513 s
total exchange = -52.4107129744 (a.u.)
total exchange computation time: 2.8403768539 s
-154.3554291947
Anderson extrapolation: theta=0.2903450068 (0.2903450068)
-931.37718299
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0606831395
ExchangeOperator: pair fraction: ispin=0: 0.1506327745
ExchangeOperator: bisection time: 1.515 s
total exchange = -52.4106985897 (a.u.)
total exchange computation time: 2.8397510052 s
-154.3554817384
Anderson extrapolation: theta=1.3140958496 (1.3140958496)
-931.37718328
-25.575754 28.083155 -212.647662
562.913530 1075.168810 -404.405353
537.337776 1103.251966 -617.053015
1373.554225
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0606831395
ExchangeOperator: pair fraction: ispin=0: 0.1506327745
ExchangeOperator: bisection time: 1.513 s
total exchange = -52.4106948059 (a.u.)
total exchange computation time: 2.8804950714 s
679.35634432
-1085.15987443
89.80810797
-388.07999367
-174.89107289
79.03454099
551.60419304
0.00000000
-931.37718351
4.60457193 -30.82737338 -3.56262519
-0.00009066 -0.00018771 0.00005107
0.00862776 0.00120134 -0.00455648
-11.97877909 2.06177207 -9.45775438
0.00048886 -0.00000454 0.00018623
0.00074684 0.00066776 0.01801138
-36.18954746 1.24567687 3.12503580
0.00007471 0.00019314 0.00001578
-0.03771039 -0.02874985 0.01895553
-7.49810455 -3.60628984 2.53746448
0.00009148 0.00020858 0.00021186
0.00539527 -0.00112908 0.00186320
2.25457536 0.10557778 8.94723396
-0.00001730 0.00007719 0.00021374
-0.00688638 0.01862053 -0.01599070
-30.95019484 1.36272726 2.74060183
0.00004965 0.00018915 -0.00016514
0.00739330 0.01422546 -0.00329764
17.00530894 13.25418563 -17.86382861
0.00002604 -0.00015595 -0.00041477
-0.07743309 0.00730316 -0.03563613
-3.43373281 5.24897179 5.55788454
0.00007210 -0.00020148 -0.00008197
-0.00815205 -0.00739695 0.00106289
5.85291011 17.22050033 -6.97194390
-0.00016711 -0.00036724 -0.00003898
-0.04680429 -0.03175593 -0.00520943
7.16725567 5.63437947 -20.97670489
0.00021594 0.00015435 0.00017366
0.02539608 0.02601759 -0.04207492
18.60919491 19.62491911 -5.08509982
-0.00004511 0.00017504 0.00006408
0.01431906 -0.00726767 -0.01982111
1.91568416 13.90288326 -21.10767134
0.00015140 0.00018085 -0.00029889
0.02081514 -0.00120528 0.00890811
10.28495416 -5.37536686 0.29327036
0.00007135 0.00022486 0.00028847
0.03009780 -0.04384238 0.02775553
-18.35528571 -3.93721949 5.34783998
0.00035865 -0.00020584 -0.00008031
0.01282468 -0.00012370 0.00494793
-14.17494362 -1.43430539 20.54155068
-0.00027437 0.00017913 0.00010866
-0.00009513 0.01943316 -0.03600085
1.60016530 3.67374871 -3.89174785
0.00001072 0.00000139 -0.00024973
-0.00763418 0.03612322 0.02363141
21.29692399 -10.61629131 -4.44160741
-0.00006931 -0.00008142 -0.00010858
-0.01319406 0.00818080 0.06392217
3.04969404 -10.31284215 7.95668794
-0.00000820 -0.00021396 -0.00008086
0.02195275 -0.00271150 -0.01653858
-1.85600483 -1.83873469 -19.46505356
0.00001118 -0.00006278 -0.00020723
0.01671930 -0.00763067 -0.02539024
-0.20798569 3.51653128 -10.22525394
-0.00017969 0.00002173 -0.00063088
0.03879997 0.00611930 -0.01370655
-5.02310549 14.62275883 14.48288451
0.00001001 0.00000381 -0.00016670
-0.01035815 0.00413186 0.00934747
-5.49056173 2.60134770 -7.37266396
0.00017692 0.00032757 0.00015823
-0.01467477 0.00116163 0.02414878
-9.17655000 0.71423479 -4.16027143
-0.00006860 0.00020439 0.00003910
0.02093294 -0.00356594 -0.02915763
2.95548230 27.52073116 5.87858534
-0.00021688 -0.00027987 -0.00030712
-0.00114755 0.00200148 -0.00883731
10.03528038 -10.64581998 -1.59549240
-0.00023026 -0.00036456 0.00027293
0.02885748 -0.00018153 -0.02410473
-6.79385788 1.00884480 9.21224043
0.00012232 -0.00008781 0.00007555
0.02159720 -0.02790199 -0.00350752
20.44537631 10.82630508 6.98322897
-0.00007903 0.00003633 0.00004534
0.02683158 0.01419002 0.00775761
-3.10200561 1.09369327 -23.79679547
-0.00010113 0.00006642 -0.00034063
0.04634812 0.00972465 -0.00655815
-13.91365902 8.77475862 8.51706120
0.00048088 0.00021078 0.00017357
0.01089651 -0.01466490 0.03164167
-13.43280976 6.09535911 -3.29298933
-0.00025554 -0.00007026 -0.00006908
0.01292500 0.00098827 -0.00137090
-2.24918952 -15.34996842 20.60280716
-0.00011406 -0.00008219 -0.00011496
-0.02061137 -0.01431199 -0.01295496
-5.99726627 7.52880773 -8.17883448
0.00007044 0.00034505 0.00028400
-0.01308906 0.02144004 0.00306993
-19.80950758 30.46289596 1.08402990
0.00017455 -0.00026881 -0.00034819
-0.00868273 0.01484115 0.00531780
9.88283861 3.78199252 7.93322687
-0.00004993 0.00004501 0.00014726
-0.00885102 -0.00271095 -0.02376901
7.16922383 15.96144453 -11.74552867
0.00000251 0.00026706 0.00021168
-0.00648833 -0.02018962 0.00990112
13.81837653 5.19910196 -1.17942212
-0.00041067 -0.00020900 -0.00012500
0.05900629 -0.03821332 0.01333335
-6.00701956 11.44782966 -2.20546859
-0.00031273 0.00000193 0.00014694
0.03455334 -0.01379817 0.05245213
7.94357103 12.76452224 5.17357505
-0.00004922 -0.00044776 0.00012215
-0.03763667 0.04283596 0.00864785
21.90452161 -12.06884633 -9.68730287
-0.00044678 0.00012798 0.00017643
0.03585662 0.01331106 0.00790414
19.91398326 -5.97365558 -1.31466910
-0.00029045 0.00003886 0.00030519
-0.01093362 -0.00041078 -0.00176468
14.64037829 7.98285243 8.69774331
0.00020463 0.00012820 0.00014345
0.01246847 -0.00368516 0.03619198
3.79595326 -13.81355695 16.36222965
0.00002078 0.00011375 0.00017021
0.00863537 0.02383262 0.00800324
-2.55027824 -2.46571621 -13.73718005
0.00009646 0.00012141 0.00014015
-0.00795036 0.03381389 -0.01496907
15.52593086 -7.36768386 -13.15458526
0.00004699 -0.00002303 -0.00006123
-0.02851293 0.01457483 0.01935006
9.58048366 -3.61807280 6.73671906
0.00015137 -0.00028228 -0.00017526
0.03915908 0.00978284 0.00263488
-19.39164109 1.38286347 24.90131421
-0.00010292 -0.00000453 0.00000187
-0.03737546 -0.00164956 0.00039908
24.37618963 -1.28131458 -7.36537943
-0.00019766 0.00010333 -0.00007893
-0.00736190 0.00602548 -0.02665987
11.65807598 -10.44323817 -11.12920839
-0.00000888 -0.00019262 -0.00030678
-0.00403400 0.00847214 -0.03467655
-8.96473907 -10.84357324 16.45477012
0.00030983 0.00021242 0.00013043
-0.05625541 -0.01822949 -0.02906901
6.76729560 1.59396751 -27.86121090
0.00021665 -0.00002906 0.00006618
-0.00677904 -0.00421846 -0.04382200
12.65022147 18.82113466 13.04455869
-0.00006605 -0.00020429 -0.00016740
-0.02108882 0.01425684 0.02148594
26.07656002 7.50892653 -11.07983962
-0.00014305 0.00011289 -0.00001843
0.02570499 -0.00289008 -0.02174730
5.29222720 -29.44827415 -4.61813878
-0.00014464 -0.00056074 -0.00037229
-0.00499101 -0.00607679 0.00395625
4.24990494 -30.09838352 -1.92626585
0.00018516 0.00117131 0.00006973
-0.00682977 -0.00057623 0.00287671
-10.22115814 1.78576570 -9.01116290
-0.00057685 0.00085405 0.00016612
-0.00993674 0.00187820 -0.00532430
-12.08182059 2.75891279 -11.14707915
0.00042440 -0.00016200 0.00009009
0.00353145 -0.00081009 -0.01020096
-36.93198678 2.66168674 2.16522522
-0.00095362 0.00087928 0.00001535
0.00439920 0.01014144 0.00477641
-37.74494392 0.32319325 3.81165946
0.00020313 0.00031602 0.00047445
0.03608447 0.01798525 -0.01771649
-8.79099563 -4.43435444 1.50770974
0.00001765 0.00043909 -0.00120521
-0.00179549 -0.00409315 0.00282718
-6.25288053 -4.84890527 3.06995559
0.00038403 0.00015538 -0.00030150
-0.00914478 0.00077746 -0.00339979
2.58484150 0.08103896 7.11597007
0.00077702 -0.00006741 -0.00068695
-0.00158995 -0.00780840 0.01519967
1.58632689 1.82778931 9.21976986
0.00031516 -0.00063225 -0.00001499
0.00432503 -0.01504448 0.00529454
-30.33458134 -0.32848492 2.38788167
-0.00019894 0.00054690 0.00000979
0.00472706 -0.00528670 0.00498553
-32.74509981 1.15506515 2.96374714
-0.00093595 -0.00135901 -0.00030595
-0.01190505 -0.00170551 0.00088427
15.36491958 12.26706935 -18.25261336
-0.00027510 -0.00093367 -0.00044336
0.04425701 0.02107722 0.01031657
18.05780232 12.18729079 -16.91152086
-0.00037994 0.00090018 -0.00060984
0.02991464 -0.02938495 0.02033512
-3.04346403 6.86718572 6.26024298
-0.00005740 0.00003906 -0.00001523
0.00369075 0.01203775 0.01208635
-3.00755860 5.50749651 3.83518893
-0.00043968 -0.00065664 0.00063446
0.00575672 -0.00231154 -0.01751410
5.81474505 16.39177526 -8.64084911
-0.00033066 0.00085047 0.00055993
0.00594661 0.00348017 0.00124624
7.34045872 18.11788455 -7.03054082
0.00004995 0.00054629 -0.00025949
0.04571679 0.02823144 0.00200857
7.64273437 5.81358196 -22.93529093
-0.00015596 -0.00157157 -0.00106465
-0.01760452 -0.02068327 0.04106599
8.62123674 6.70172896 -20.41572093
0.00013134 0.00061642 0.00001594
-0.01710879 -0.00993200 0.01013893
19.18991338 21.06912905 -4.13844455
-0.00012028 -0.00078820 -0.00022832
-0.00313619 0.01051366 0.01899898
19.84834640 19.72506818 -6.43517826
-0.00067474 -0.00041033 -0.00120858
-0.00304922 -0.00833585 -0.00190288
2.01448209 12.17670976 -20.52670154
-0.00163951 -0.00003188 0.00051199
0.00021047 -0.00448067 -0.00271200
0.17079521 14.30410271 -21.24846774
0.00017510 -0.00000525 -0.00090623
-0.01494792 0.00687742 -0.00586365
10.85370106 -6.60645068 -0.93882428
-0.00060620 -0.00047803 0.00041138
-0.00725026 -0.00019889 0.00087762
9.71289856 -3.94905112 -0.56341777
0.00078774 -0.00062793 -0.00043859
-0.02142762 0.03591155 -0.02898639
-18.48987447 -4.88131956 6.88136291
0.00073870 -0.00088224 0.00014395
-0.00235635 -0.00023046 0.01577532
-18.79672157 -5.22022358 4.16353649
0.00044827 -0.00022740 -0.00023059
-0.00781408 -0.00474640 -0.01974303
-14.51643763 -0.12661815 19.17768257
0.00074907 -0.00047786 0.00056781
0.00114161 -0.02337899 0.01021658
-14.06348236 -0.42837045 22.02774347
0.00012500 -0.00004447 0.00037364
-0.00199199 0.00680632 0.02136110
1.53871905 3.53120051 -2.04686096
-0.00100548 -0.00033284 -0.00009436
0.00635766 -0.01421659 -0.01826459
1.99074341 2.10625725 -4.65641848
0.00025972 0.00053941 -0.00055467
0.00341331 -0.02015509 -0.00279074
21.71059696 -10.61015055 -6.12277643
0.00087486 0.00010408 0.00077963
0.01325882 0.00378525 -0.05199588
22.59667599 -9.69431977 -3.52374335
-0.00054205 -0.00081219 -0.00109789
-0.00227509 -0.00220582 -0.00855646
4.71456105 -10.34844436 7.04254872
0.00034763 0.00018594 -0.00087322
-0.02668772 -0.00268232 0.01909613
2.94331882 -11.79246594 9.07745499
0.00004885 -0.00002394 -0.00036832
0.00812318 0.00829632 -0.00415667
-1.96965919 -3.30775038 -20.63163132
-0.00004361 0.00063538 -0.00020111
-0.00382192 0.01578745 0.01278873
-3.43174556 -1.61843021 -18.65133133
-0.00052541 0.00006070 0.00002343
-0.01465723 -0.00611988 0.00991067
0.57818315 5.13828798 -9.83149998
-0.00001816 0.00043607 0.00068134
-0.01049699 -0.01047444 -0.00365308
-1.82804284 3.44714591 -9.53756897
-0.00062053 0.00012494 0.00195348
-0.02879808 0.00826741 0.01594517
-3.62662393 14.82227434 15.62486974
0.00024849 0.00154347 0.00073797
0.00786831 -0.00288607 -0.00208524
-6.43458230 14.60272361 15.67603125
-0.00055023 0.00086397 0.00006459
0.00324970 -0.00159836 -0.01544139
-6.78607662 1.89324867 -6.19760842
-0.00031586 0.00047926 -0.00016844
0.01634753 -0.00188126 -0.01475139
-4.99122535 1.27810455 -8.48062117
0.00082785 -0.00006573 0.00036409
-0.00508392 -0.00911692 -0.00736057
-10.22660952 -0.48506330 -3.39290075
0.00025454 -0.00020701 0.00015548
-0.01893701 -0.02345888 0.00840156
-9.21430002 2.11630354 -3.07825137
-0.00122048 -0.00062429 0.00094293
0.00049536 0.03338388 0.02303116
2.66502774 29.09052260 5.01689712
0.00128385 0.00016156 0.00032785
-0.00559194 0.00428370 -0.00682523
3.44737256 28.04377697 7.52158269
0.00024410 0.00046455 0.00094774
0.00317804 -0.00085740 0.01960986
8.33521360 -10.20754143 -1.32816621
0.00044905 -0.00119745 0.00055953
-0.02300608 0.00597074 0.00891174
10.92585014 -11.19261567 -0.05070507
0.00070982 0.00048099 0.00057090
-0.01603013 -0.00042225 0.00027722
-5.22425479 -0.07361044 8.92437188
-0.00015975 0.00101136 -0.00003552
-0.02820955 0.01660772 0.00110419
-8.13934097 -0.24955012 9.32631506
-0.00082754 0.00044065 -0.00023996
0.00644048 0.00901193 -0.00132622
20.53535406 11.03320805 8.82291217
-0.00044617 0.00025057 -0.00100611
-0.00507792 -0.00753404 -0.00833164
22.19286438 11.52795495 6.59201260
-0.00134814 -0.00123091 -0.00041985
-0.02233218 -0.01372310 0.00435913
-2.83626216 0.61401249 -22.07390335
0.00002188 -0.00141246 0.00122906
0.00449119 -0.01107433 0.01161009
-4.81356128 1.03545432 -24.07897639
0.00095488 0.00018419 -0.00014796
-0.05360561 0.00111966 -0.00564196
-12.68845412 9.47248523 9.75330504
-0.00022647 0.00021122 -0.00009804
-0.00679888 -0.00250922 -0.00813138
-13.72213846 9.91585210 7.14758253
0.00066954 -0.00088029 -0.00036854
-0.00394066 0.01168600 -0.01679655
-13.85000833 5.09840234 -4.75310650
-0.00073327 -0.00021956 0.00024055
-0.00743724 -0.00945604 -0.00099100
-14.32809836 7.63907148 -3.49337971
0.00099298 -0.00013223 -0.00046011
-0.00408070 0.01750784 -0.00990350
-4.04236322 -15.59874778 20.14441558
-0.00044325 -0.00018068 -0.00027866
0.01551756 0.00594035 0.01145387
-1.50371839 -16.58905199 19.45172876
-0.00032147 -0.00006571 0.00051346
0.00116409 0.00461517 0.00335388
-6.12397662 5.82938150 -7.55585322
0.00088722 0.00023744 0.00095116
0.00530983 -0.01344213 -0.00487795
-7.25520361 8.47860596 -7.18092726
-0.00091989 -0.00106662 0.00080885
0.01042252 0.00334174 -0.00825849
-21.20814121 29.78962988 0.08197796
0.00038357 -0.00082601 0.00112517
0.01285060 -0.00301352 0.00877587
-18.35740554 29.38148082 1.37619120
0.00051232 0.00048997 -0.00058980
-0.00164959 -0.00846016 -0.01321354
9.20825122 2.84409265 6.41571554
0.00041932 -0.00114099 -0.00068744
0.00389650 0.01862568 0.02490735
9.13207472 5.50362376 8.03440097
-0.00047342 0.00084120 -0.00002106
0.00471749 -0.01317187 -0.00920372
8.29545725 17.29241216 -12.18972406
-0.00073010 0.00045304 -0.00033138
0.01130895 0.01293442 -0.00556183
8.27314415 14.48634920 -11.73888877
0.00123380 0.00038498 -0.00077462
-0.00576586 0.00291071 -0.00271515
12.27753257 5.97374549 -1.42264185
0.00020446 -0.00043399 0.00064689
-0.04393834 0.01898438 0.00141155
13.90641518 4.24624785 0.44444463
-0.00008154 -0.00058659 0.00007296
-0.01207646 0.01179600 -0.01994925
-4.17453497 11.14406766 -1.96284834
-0.00034587 0.00027060 0.00036428
-0.01152665 0.00408613 -0.01975183
-6.63156721 10.47278384 -0.74227367
-0.00098317 0.00100506 -0.00045958
-0.00555091 0.01081071 -0.01434279
7.25173514 14.35381439 4.41937357
0.00003207 -0.00000894 0.00044774
0.01633040 -0.02825275 0.01118649
9.00867157 11.99470618 3.96698574
-0.00067713 0.00082835 0.00093231
0.01904244 -0.01055269 -0.02237126
20.44819083 -12.82868736 -8.98854355
0.00089458 -0.00041869 0.00008118
-0.01921825 -0.01311505 0.01350035
23.38796295 -12.37219228 -8.54291683
-0.00016708 0.00023135 -0.00006887
-0.02803226 -0.00232703 -0.01872272
19.80160334 -4.90238393 -2.82021032
0.00068583 -0.00016782 0.00052725
0.00294804 0.00678251 0.00201605
18.35288390 -6.91775456 -1.49695308
0.00045447 0.00044023 0.00046523
0.00309004 -0.00176034 0.00767450
13.73894287 9.52943859 8.49805815
0.00066125 0.00010404 0.00034344
-0.00421501 0.00345038 -0.00065588
14.94872904 7.90650560 10.59263638
0.00029071 -0.00063550 0.00022574
-0.00098844 -0.00213508 -0.02828819
2.96985526 -15.09105844 17.36293650
-0.00020806 -0.00110905 -0.00018211
-0.00435481 -0.00994067 0.00160329
3.95597107 -12.29669751 17.45615536
-0.00058971 0.00105375 -0.00084437
-0.00333117 -0.01331203 -0.01379387
-2.77573684 -3.88774302 -12.70929556
-0.00002099 -0.00006124 0.00022377
0.00013597 -0.02018245 0.01852510
-1.24390272 -1.35016053 -13.06815952
-0.00044429 -0.00003221 -0.00045337
0.00703224 -0.01171618 -0.00338187
16.12235854 -7.87298436 -14.78377306
0.00007128 0.00056935 0.00020884
0.01259560 -0.00690351 -0.01572278
16.50130522 -8.00094922 -11.77437662
-0.00003907 -0.00072040 -0.00119405
0.01193845 -0.00489193 0.00446589
7.85183259 -3.97629803 6.48961723
0.00096166 0.00056056 0.00057288
-0.01992435 -0.00350496 -0.01934955
10.60265621 -3.89537991 5.21480681
0.00026621 -0.00063586 -0.00014045
-0.01736387 -0.00025868 0.01205353
-21.24624801 1.01815991 25.10216113
0.00068737 -0.00019983 -0.00001479
0.03591639 -0.00207793 -0.00415045
-19.18413941 2.96416646 25.81916059
0.00045800 0.00024454 0.00012640
-0.00010869 -0.00092070 0.00316804
25.37744106 -2.79893074 -7.31425600
-0.00064108 0.00084150 -0.00006173
0.01141159 -0.01221196 0.01435864
24.24760018 -1.11916703 -9.21578783
-0.00167865 -0.00000504 0.00028781
-0.00287360 0.01197381 0.01229927
11.67266281 -9.98932927 -9.40204436
-0.00037058 0.00026536 -0.00051829
0.01032777 0.00462842 0.02456300
12.78185795 -9.27354324 -12.09512481
0.00054176 -0.00050317 -0.00028102
-0.00646450 -0.00457469 0.01471754
-7.71356306 -10.59513486 17.67622950
0.00084439 0.00013301 0.00019294
0.04011948 0.00544976 0.02169041
-10.27491942 -11.42989539 17.64630494
0.00028867 0.00067627 0.00035623
-0.00193885 0.01030497 -0.01399714
7.91551662 2.07380707 -29.31720592
0.00022100 0.00008545 -0.00031821
0.00059844 -0.01146621 0.01624592
5.43298889 0.71129601 -28.88863813
-0.00002156 -0.00021783 0.00055409
0.01071089 0.01116139 0.02379256
14.33569406 19.17279362 13.47114137
-0.00057805 0.00010908 -0.00048819
0.02503010 0.00949608 0.02068527
12.96768951 17.86989141 11.61185814
0.00071513 0.00005314 -0.00026967
-0.00212866 -0.02887914 -0.04152264
27.83177542 7.68190323 -11.72599613
-0.00038175 -0.00013740 0.00047700
-0.01518913 0.00083289 -0.00115205
26.32519868 7.69977504 -9.30127631
-0.00064691 -0.00017561 0.00023403
-0.00142569 0.00072005 0.01976711
-7.94271388 4.65570502 6.08147525
0.00012921 0.00015304 0.00004682
0.00083068 -0.00852090 0.00386506
-10.49559252 9.20137730 2.90048226
0.00012245 -0.00005613 0.00008236
0.01369445 -0.00458203 0.01199498
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.07747752
0.29970599
399.34320709
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0603197674
ExchangeOperator: pair fraction: ispin=0: 0.1494213088
ExchangeOperator: bisection time: 1.516 s
total exchange = -52.4181241832 (a.u.)
total exchange computation time: 2.8093621731 s
-154.3537571318
-931.37319401
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0603197674
ExchangeOperator: pair fraction: ispin=0: 0.1494213088
ExchangeOperator: bisection time: 1.515 s
total exchange = -52.4173449646 (a.u.)
total exchange computation time: 2.8088250160 s
-154.3608294812
Anderson extrapolation: theta=1.3456570460 (1.3456570460)
-931.37342636
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0603197674
ExchangeOperator: pair fraction: ispin=0: 0.1494213088
ExchangeOperator: bisection time: 1.514 s
total exchange = -52.4162060737 (a.u.)
total exchange computation time: 2.8090221882 s
-154.3707971856
Anderson extrapolation: theta=0.0528843428 (0.0528843428)
-931.37356507
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0603197674
ExchangeOperator: pair fraction: ispin=0: 0.1494213088
ExchangeOperator: bisection time: 1.516 s
total exchange = -52.4160769238 (a.u.)
total exchange computation time: 2.8096640110 s
-154.3717326033
Anderson extrapolation: theta=1.9612301718 (1.9612301718)
-931.37357046
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0603197674
ExchangeOperator: pair fraction: ispin=0: 0.1494213088
ExchangeOperator: bisection time: 1.513 s
total exchange = -52.4158085138 (a.u.)
total exchange computation time: 2.8129639626 s
-154.3736385403
Anderson extrapolation: theta=0.2305878612 (0.2305878612)
-931.37357620
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0603197674
ExchangeOperator: pair fraction: ispin=0: 0.1494213088
ExchangeOperator: bisection time: 1.514 s
total exchange = -52.4157471441 (a.u.)
total exchange computation time: 2.8100981712 s
-154.3740483119
Anderson extrapolation: theta=1.8814152006 (1.8814152006)
-931.37357732
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0603197674
ExchangeOperator: pair fraction: ispin=0: 0.1494213088
ExchangeOperator: bisection time: 1.513 s
total exchange = -52.4156554057 (a.u.)
total exchange computation time: 2.8089668751 s
-154.3746339671
Anderson extrapolation: theta=0.2897276330 (0.2897276330)
-931.37357866
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0603197674
ExchangeOperator: pair fraction: ispin=0: 0.1494213088
ExchangeOperator: bisection time: 1.516 s
total exchange = -52.4156524085 (a.u.)
total exchange computation time: 2.8131089211 s
-154.3746227817
Anderson extrapolation: theta=1.3028380592 (1.3028380592)
-931.37357898
-25.600201 28.092930 -212.611856
562.891663 1075.167491 -404.408400
537.291462 1103.260422 -617.020257
1373.528183
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0603197674
ExchangeOperator: pair fraction: ispin=0: 0.1494213088
ExchangeOperator: bisection time: 1.514 s
total exchange = -52.4156659671 (a.u.)
total exchange computation time: 2.8104181290 s
679.43632656
-1085.33617222
89.80592445
-387.95924242
-174.90474958
79.13193926
551.60419304
0.00000000
-931.37357919
4.60324533 -30.83018442 -3.56187672
-0.00008646 -0.00018662 0.00004963
0.00770304 0.00304715 -0.00103154
-11.97144332 2.06170661 -9.45489151
0.00048703 -0.00000380 0.00019477
-0.00787045 0.00219860 0.01519514
-36.18857221 1.24846306 3.12534565
0.00005480 0.00017943 0.00002487
-0.03972281 -0.02457315 0.01636929
-7.49671156 -3.60316548 2.54064952
0.00009345 0.00020744 0.00021214
0.00227313 -0.00332213 -0.00077239
2.25428935 0.10680741 8.95037845
-0.00001993 0.00008533 0.00020364
-0.00335228 0.01302991 -0.02332175
-30.94942164 1.36561936 2.73811201
0.00005085 0.00019667 -0.00016643
-0.00271392 0.01501983 -0.00170432
17.00540079 13.25187449 -17.87018762
-0.00001544 -0.00015139 -0.00043432
-0.08386258 0.01043242 -0.04037137
-3.43268283 5.24592106 5.55665910
0.00006753 -0.00020508 -0.00007935
-0.00958944 -0.00659141 0.00912422
5.85022297 17.21486919 -6.97254863
-0.00018927 -0.00038156 -0.00004011
-0.03938160 -0.02393442 0.00078513
7.17059276 5.63679511 -20.97426228
0.00022893 0.00016744 0.00015155
0.02510876 0.02486204 -0.04391179
18.60857347 19.62751672 -5.08421508
-0.00003787 0.00016971 0.00005221
0.01385941 -0.01346454 -0.02633773
1.91803538 13.90559136 -21.11212035
0.00016178 0.00017934 -0.00029392
0.01955284 -0.00465052 0.01043471
10.28614045 -5.37216314 0.29770449
0.00008727 0.00020131 0.00030292
0.03182060 -0.04770584 0.02843639
-18.34985656 -3.94030754 5.34665442
0.00036510 -0.00020666 -0.00007698
0.01227411 -0.00308271 0.00798428
-14.17905951 -1.43154352 20.54304172
-0.00027402 0.00018830 0.00009137
0.00143082 0.01621746 -0.03122645
1.60029669 3.67390891 -3.89540263
0.00000665 0.00002047 -0.00023706
-0.00819043 0.03808165 0.02563209
21.29583349 -10.61748107 -4.44298956
-0.00007781 -0.00007817 -0.00007576
-0.01987806 0.00444595 0.06371155
3.04965569 -10.31606201 7.95541129
0.00000391 -0.00021478 -0.00009025
0.02516272 -0.00048971 -0.01996838
-1.85577269 -1.83970575 -19.46826001
0.00001855 -0.00006565 -0.00021910
0.01197100 -0.00356195 -0.02074801
-0.21053134 3.51688081 -10.23477000
-0.00016271 0.00002597 -0.00063613
0.02722407 0.01036640 -0.00670229
-5.02299531 14.62283192 14.48042013
0.00000542 0.00000625 -0.00016010
-0.00750373 0.00533921 0.01629759
-5.48796460 2.60626576 -7.37019743
0.00016957 0.00032756 0.00017013
-0.01387733 -0.00119896 0.02215839
-9.17749832 0.71728692 -4.15979737
-0.00005830 0.00020228 0.00002455
0.01912474 -0.00465439 -0.02741610
2.95222467 27.51654082 5.87394438
-0.00021648 -0.00027797 -0.00030844
0.00270193 0.00540556 0.00371128
10.03193779 -10.65128904 -1.59149142
-0.00021333 -0.00036517 0.00026082
0.03698193 -0.00219179 -0.02299979
-6.79193977 1.00742010 9.21336014
0.00013200 -0.00010149 0.00007393
0.01602943 -0.02531805 -0.00279654
20.44429432 10.82690480 6.98393902
-0.00006721 0.00004260 0.00004785
0.01916019 0.01019595 0.00199837
-3.10334378 1.09472701 -23.80193020
-0.00007401 0.00007044 -0.00033989
0.05911528 0.00593933 0.00942747
-13.90640376 8.77786370 8.51978682
0.00048560 0.00020246 0.00018943
0.00745269 -0.01769071 0.03001014
-13.43659301 6.09430903 -3.29403079
-0.00024838 -0.00007095 -0.00006949
0.01493501 -0.00366378 -0.00024924
-2.25097999 -15.35125649 20.60103286
-0.00012560 -0.00008903 -0.00012120
-0.02423576 -0.01229985 -0.01132196
-5.99626013 7.53406612 -8.17456266
0.00006324 0.00035545 0.00028616
-0.01492120 0.01901079 0.00535367
-19.80692284 30.45892104 1.07882754
0.00017081 -0.00026043 -0.00034478
-0.00587229 0.01773799 0.00795779
9.88205551 3.78265715 7.93534410
-0.00005528 0.00004391 0.00013414
-0.01197058 -0.00156658 -0.02724270
7.16923639 15.96537261 -11.74231524
-0.00000017 0.00025558 0.00021669
-0.00391406 -0.02445206 0.00956287
13.81244407 5.19581962 -1.18124574
-0.00037886 -0.00022968 -0.00011750
0.06469966 -0.04222387 0.01584452
-6.01157729 11.44780543 -2.20306218
-0.00029463 -0.00000429 0.00017283
0.03585574 -0.01039801 0.04823624
7.94268750 12.75797112 5.17544064
-0.00007056 -0.00042409 0.00012858
-0.04533987 0.04918680 0.01636005
21.89795820 -12.06687528 -9.68462587
-0.00042672 0.00013561 0.00017981
0.04216740 0.01637098 0.00523375
19.90958434 -5.97307421 -1.31009799
-0.00029452 0.00003920 0.00030493
-0.00490550 0.00173699 0.00074439
14.64349586 7.98476128 8.70003467
0.00021138 0.00012569 0.00016213
0.01378252 -0.00607546 0.03643620
3.79629823 -13.81175869 16.36481360
0.00002461 0.00012501 0.00017465
0.00626036 0.01993587 0.00926223
-2.54886196 -2.46376460 -13.73513559
0.00009135 0.00013744 0.00013228
-0.01193800 0.02852217 -0.01562560
15.52652566 -7.36797314 -13.15542902
0.00003155 -0.00001501 -0.00005175
-0.03149413 0.01662462 0.01748469
9.58290520 -3.62226930 6.73410037
0.00017392 -0.00027682 -0.00017361
0.04854155 0.01145640 0.00376693
-19.39332900 1.38278908 24.90134380
-0.00012070 -0.00000475 0.00000220
-0.03178454 0.00080227 0.00086735
24.37319626 -1.27974135 -7.36666623
-0.00020241 0.00010776 -0.00009213
-0.01109626 0.01119170 -0.02467368
11.65792722 -10.44609485 -11.13394377
-0.00001078 -0.00018814 -0.00032471
-0.00334661 0.00895158 -0.03508413
-8.96030856 -10.84045720 16.45661441
0.00028160 0.00020327 0.00011622
-0.05353627 -0.01738171 -0.02619799
6.77051925 1.59351534 -27.86038718
0.00021344 -0.00003108 0.00004346
-0.00572944 -0.00362575 -0.04456024
12.64914933 18.81812529 13.04213050
-0.00007773 -0.00019753 -0.00015710
-0.02432457 0.01203248 0.01858320
26.07451346 7.51060876 -11.08019994
-0.00013040 0.00011134 -0.00002904
0.02348399 -0.00313846 -0.01952186
5.28990466 -29.45687146 -4.62360185
-0.00016438 -0.00058516 -0.00035710
-0.00467282 -0.00587896 0.00347612
4.25247310 -30.08083159 -1.92513173
0.00015840 0.00116432 0.00007470
-0.00626862 -0.00284470 -0.00044570
-10.23011539 1.79863399 -9.00883421
-0.00059952 0.00085873 0.00014930
-0.00116134 0.00041350 -0.00291239
-12.07534630 2.75645793 -11.14604045
0.00043822 -0.00016518 0.00004886
0.00323219 -0.00074307 -0.00998168
-36.94615622 2.67518665 2.16560187
-0.00092976 0.00091370 0.00004016
0.00727664 0.00670691 0.00736873
-37.74079127 0.32848469 3.81823337
0.00034973 0.00038816 0.00040218
0.03567820 0.01732897 -0.01765944
-8.79078593 -4.42789351 1.48971822
0.00001751 0.00042619 -0.00118730
0.00173005 -0.00222155 0.00593967
-6.24740035 -4.84655072 3.06532894
0.00034552 0.00015878 -0.00031599
-0.00970592 0.00088701 -0.00369305
2.59644804 0.07978854 7.10613152
0.00076743 -0.00009864 -0.00061130
-0.00310440 -0.00748121 0.02183578
1.59118685 1.81784458 9.21970719
0.00032893 -0.00068303 0.00000759
0.00241488 -0.00981146 0.00575799
-30.33742061 -0.32044336 2.38818135
-0.00017534 0.00051968 0.00002858
0.00682503 -0.00803944 0.00421188
-32.75950393 1.13462766 2.95918496
-0.00096836 -0.00136138 -0.00030394
-0.00396006 0.00054541 0.00010303
15.36214918 12.25371021 -18.25894769
-0.00009027 -0.00084457 -0.00039999
0.04621998 0.02253793 0.01091408
18.05301991 12.19989311 -16.92004539
-0.00024887 0.00077070 -0.00051859
0.03424318 -0.03400043 0.02433249
-3.04421188 6.86814047 6.26038490
-0.00004314 0.00008428 0.00003212
0.00328874 0.01009929 0.01109022
-3.01397744 5.49757608 3.84416914
-0.00041245 -0.00066381 0.00054848
0.00757397 -0.00120025 -0.02457391
5.80996745 16.40463901 -8.63241204
-0.00030715 0.00085726 0.00055243
0.00555900 -0.00015589 -0.00491459
7.34260891 18.12694401 -7.03437168
0.00022222 0.00065321 -0.00025053
0.03860993 0.02410677 0.00238015
7.63985554 5.78937468 -22.95000223
-0.00022640 -0.00165233 -0.00089192
-0.01687611 -0.01885332 0.04348495
8.62268257 6.71067091 -20.41517112
0.00006062 0.00057457 0.00005475
-0.01750878 -0.01055170 0.00885637
19.18801306 21.05762826 -4.14128713
-0.00012743 -0.00073371 -0.00014477
-0.00036436 0.01615783 0.02189903
19.83813192 19.71865781 -6.45336530
-0.00069204 -0.00044324 -0.00120910
-0.00541872 -0.00777449 0.00164859
1.98989589 12.17609424 -20.51910477
-0.00163600 -0.00004495 0.00049868
0.00150511 -0.00191457 -0.00380359
0.17296370 14.30423477 -21.26224090
0.00011424 0.00002511 -0.00093098
-0.01484347 0.00798136 -0.00624920
10.84438589 -6.61362719 -0.93262675
-0.00063615 -0.00047818 0.00041714
-0.00741008 0.00012256 0.00194374
9.72405801 -3.95736963 -0.57088489
0.00069698 -0.00047369 -0.00056072
-0.02300022 0.03958914 -0.03079519
-18.47886615 -4.89456021 6.88400558
0.00072973 -0.00087868 0.00020074
-0.00203624 0.00197199 0.01202587
-18.79023696 -5.22378005 4.15947261
0.00041671 -0.00024526 -0.00030976
-0.00763728 -0.00399501 -0.01900923
-14.50516656 -0.13450251 19.18651272
0.00075123 -0.00056591 0.00060297
-0.00008593 -0.01971839 0.00699837
-14.06166838 -0.42882893 22.03400268
0.00011644 -0.00001801 0.00045833
-0.00219802 0.00614562 0.02009306
1.52383171 3.52577226 -2.04883608
-0.00097903 -0.00039089 -0.00017181
0.00659019 -0.01419797 -0.01964580
1.99474384 2.11373078 -4.66482404
0.00027455 0.00045313 -0.00056749
0.00384445 -0.02207891 -0.00348261
21.72412612 -10.60847335 -6.11267531
0.00092994 0.00011824 0.00055555
0.01370184 0.00314520 -0.05769104
22.58847552 -9.70657014 -3.54047387
-0.00053878 -0.00081215 -0.00112035
0.00387642 0.00222448 -0.00243901
4.71895775 -10.34573741 7.03003557
0.00023245 0.00017406 -0.00079045
-0.02969617 -0.00313303 0.02142058
2.94430055 -11.79257075 9.07180283
0.00008258 0.00000654 -0.00038283
0.00838718 0.00662122 -0.00294494
-1.97043042 -3.29773596 -20.63425602
-0.00005971 0.00069325 -0.00015327
-0.00406016 0.01254191 0.01062891
-3.44007588 -1.61770717 -18.65067614
-0.00057535 0.00003423 0.00005885
-0.00978820 -0.00683923 0.00742736
0.57758906 5.14450809 -9.82139186
-0.00006382 0.00038467 0.00066346
-0.01185144 -0.01468492 -0.00509664
-1.83823330 3.44927334 -9.50777820
-0.00071215 0.00015857 0.00200789
-0.01605122 0.00819697 0.01068877
-3.62265541 14.84533789 15.63587543
0.00026890 0.00152964 0.00072002
0.00211854 -0.00387969 -0.00670278
-6.44273617 14.61563420 15.67652697
-0.00053108 0.00085700 -0.00000325
0.00612283 -0.00181341 -0.01777001
-6.79031363 1.90038000 -6.20058704
-0.00024858 0.00047152 -0.00022836
0.01658611 -0.00191021 -0.01457980
-4.97896345 1.27683929 -8.47538540
0.00080499 -0.00009841 0.00033818
-0.00610583 -0.00688116 -0.00532305
-10.22337178 -0.48888734 -3.39031113
0.00017989 -0.00030193 0.00018664
-0.01760205 -0.02300602 0.00685043
-9.23259197 2.10796214 -3.06340174
-0.00121722 -0.00048695 0.00103591
0.00109761 0.03384618 0.02248364
2.68411409 29.09307732 5.02160574
0.00126038 0.00018079 0.00029731
-0.00589305 0.00512891 -0.00812541
3.45113142 28.05071892 7.53639970
0.00025000 0.00045226 0.00100514
-0.00028955 -0.00515846 0.00848688
8.34124442 -10.22532028 -1.31950022
0.00034111 -0.00116977 0.00059834
-0.02983462 0.00757952 0.01008608
10.93600617 -11.18541368 -0.04213304
0.00064146 0.00048001 0.00056753
-0.01743033 -0.00005814 -0.00192875
-5.22751548 -0.05793108 8.92387296
-0.00026942 0.00107239 -0.00003198
-0.02547545 0.01326688 0.00062791
-8.15155671 -0.24266424 9.32267507
-0.00079589 0.00047924 -0.00024576
0.00905169 0.00987857 -0.00151545
20.52850592 11.03673574 8.80756518
-0.00046603 0.00022139 -0.00102496
-0.00464670 -0.00675092 -0.00089435
22.17195792 11.50907074 6.58584846
-0.00142516 -0.00128053 -0.00040537
-0.01536873 -0.01056671 0.00272751
-2.83579639 0.59248625 -22.05511166
0.00003605 -0.00144968 0.00124799
0.00244884 -0.00714666 -0.00234633
-4.80088066 1.03825156 -24.08136871
0.00071455 0.00018828 -0.00017461
-0.06403873 0.00087939 -0.00740305
-12.69205952 9.47557662 9.75158524
-0.00024849 0.00020423 -0.00012612
-0.00397860 -0.00091038 -0.00561412
-13.71221608 9.90300585 7.14153970
0.00065430 -0.00083080 -0.00043918
-0.00351910 0.01253796 -0.01777910
-13.86123528 5.09481918 -4.74952862
-0.00076375 -0.00025896 0.00023585
-0.00748089 -0.00982939 -0.00131161
-14.31332870 7.63762447 -3.50058477
0.00097124 -0.00005138 -0.00050104
-0.00655897 0.02206895 -0.01013455
-4.04853641 -15.60127594 20.14058672
-0.00037558 -0.00015580 -0.00023067
0.01760490 0.00623921 0.01203472
-1.50850477 -16.58989619 19.45953344
-0.00031397 -0.00005128 0.00052271
0.00250518 0.00244536 0.00117588
-6.11050556 5.83253125 -7.54173529
0.00091025 0.00018627 0.00092846
0.00596072 -0.01160555 -0.00623503
-7.26868256 8.46270906 -7.16904761
-0.00087486 -0.00105178 0.00077268
0.01162029 0.00392297 -0.00944401
-21.20199392 29.77714735 0.09912440
0.00042810 -0.00084214 0.00115458
0.00894918 -0.00488301 0.00562240
-18.34977132 29.38857110 1.36693933
0.00050777 0.00045331 -0.00064282
-0.00057437 -0.00948602 -0.01274245
9.21466036 2.82754856 6.40616719
0.00043797 -0.00105769 -0.00057721
0.00523473 0.02214913 0.02904881
9.12511792 5.51583809 8.03380304
-0.00045038 0.00077799 -0.00005973
0.00656466 -0.01776947 -0.00972391
8.28485230 17.29960410 -12.19486515
-0.00068271 0.00050799 -0.00035427
0.01188980 0.01396266 -0.00564564
8.29147443 14.49221303 -11.75059121
0.00120411 0.00040357 -0.00078500
-0.00876497 0.00619082 -0.00236999
12.27925302 5.96781734 -1.41289518
0.00001311 -0.00035000 0.00065119
-0.04972660 0.02212840 0.00069245
13.90482201 4.23781053 0.44492772
-0.00013079 -0.00053648 -0.00001171
-0.01203342 0.01273007 -0.02149690
-4.18007618 11.14825186 -1.95798945
-0.00039257 0.00028633 0.00028448
-0.01133359 0.00361476 -0.01931123
-6.64648486 10.48819098 -0.74960694
-0.00100819 0.00104300 -0.00050958
-0.00669540 0.00776108 -0.01012956
7.25271659 14.35281455 4.42643250
0.00009897 -0.00012563 0.00049443
0.01641959 -0.02886645 0.01166578
8.99909814 12.00680800 3.98028483
-0.00058406 0.00077443 0.00082370
0.02651802 -0.01584101 -0.03079289
20.46102059 -12.83536960 -8.98691216
0.00080315 -0.00047858 0.00014199
-0.02553785 -0.01619913 0.01626550
23.38459783 -12.36879337 -8.54452355
-0.00028115 0.00022215 -0.00014585
-0.02780726 -0.00217358 -0.01896157
19.81198106 -4.90469341 -2.81223986
0.00069692 -0.00013831 0.00053194
0.00248204 0.00766404 0.00028187
18.35979567 -6.91120509 -1.48973950
0.00045569 0.00042673 0.00049464
-0.00249519 -0.00484511 0.00672286
13.74873250 9.53110499 8.50318960
0.00064186 0.00012167 0.00034091
-0.00527775 0.00517678 -0.00058221
14.95305938 7.89690762 10.59515562
0.00028621 -0.00064302 0.00010967
-0.00121433 -0.00154253 -0.02852954
2.96660091 -15.10799887 17.36025398
-0.00022024 -0.00113898 -0.00018004
-0.00160968 -0.00470744 -0.00059068
3.94702327 -12.28129919 17.44306720
-0.00060390 0.00099604 -0.00089859
-0.00361328 -0.01493967 -0.01274772
-2.77604754 -3.88928010 -12.70537135
-0.00001937 -0.00013895 0.00029641
0.00065907 -0.01785467 0.01703252
-1.25035154 -1.35100266 -13.07506370
-0.00040828 -0.00007434 -0.00046295
0.01059209 -0.00890640 -0.00130798
16.12381371 -7.86465564 -14.78112229
0.00012336 0.00054015 0.00013916
0.01289986 -0.00738944 -0.01838686
16.50108494 -8.01190518 -11.79215055
0.00001523 -0.00074375 -0.00116675
0.01464227 -0.00653461 0.00889825
7.86564697 -3.96799704 6.49761747
0.00086226 0.00054253 0.00049055
-0.02873148 -0.00532226 -0.02095236
10.60611720 -3.90492575 5.21306948
0.00019429 -0.00063668 -0.00009068
-0.01784078 -0.00014283 0.01230825
-21.23483693 1.01509883 25.10181207
0.00082449 -0.00020901 -0.00003034
0.03120641 -0.00241558 -0.00345939
-19.17727273 2.96780631 25.82115365
0.00045572 0.00023660 0.00013705
-0.00100725 -0.00296696 0.00204590
25.36817451 -2.78668244 -7.31474201
-0.00058765 0.00078089 -0.00000340
0.01474613 -0.01745559 0.01419829
24.22233243 -1.11887573 -9.21109374
-0.00168940 0.00004390 0.00033435
-0.00239037 0.01198280 0.01047868
11.66742065 -9.98520704 -9.40906604
-0.00032845 0.00028445 -0.00041733
0.01029086 0.00471618 0.02485888
12.78978625 -9.28123093 -12.09888914
0.00051404 -0.00052229 -0.00022027
-0.00710661 -0.00478696 0.01501996
-7.69966779 -10.59297268 17.67978831
0.00100149 0.00015347 0.00027488
0.03677866 0.00456560 0.01842000
-10.27064880 -11.41943564 17.65121942
0.00028100 0.00071830 0.00029916
-0.00181619 0.01027145 -0.01393552
7.91885001 2.07473742 -29.32148117
0.00022116 0.00003747 -0.00024983
-0.00052143 -0.01201779 0.01722589
5.43299370 0.70837062 -28.87959777
0.00002250 -0.00017194 0.00065002
0.01085468 0.01129993 0.02316607
14.32779033 19.17472083 13.46445239
-0.00046790 0.00015069 -0.00040057
0.02888982 0.01086987 0.02220603
12.97835130 17.86980350 11.60654071
0.00070501 -0.00006312 -0.00043654
-0.00282764 -0.02802632 -0.04016277
27.82558367 7.67986775 -11.71887645
-0.00043872 -0.00013341 0.00047091
-0.01269666 0.00112151 -0.00182861
26.31545130 7.69716292 -9.29716017
-0.00065290 -0.00017280 0.00031197
-0.00150382 0.00065424 0.01838838
-7.94077354 4.65797775 6.08218794
0.00012947 0.00015000 0.00004821
0.00064344 -0.00846775 0.00388764
-10.49373193 9.20052741 2.90173849
0.00012566 -0.00005717 0.00008515
0.01394679 -0.00442752 0.01208621
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.07721820
0.29636099
394.88615684
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0600290698
ExchangeOperator: pair fraction: ispin=0: 0.1483396431
ExchangeOperator: bisection time: 1.515 s
total exchange = -52.4217798707 (a.u.)
total exchange computation time: 2.8829820156 s
-154.3637878391
-931.36880468
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0600290698
ExchangeOperator: pair fraction: ispin=0: 0.1483396431
ExchangeOperator: bisection time: 1.516 s
total exchange = -52.4208914982 (a.u.)
total exchange computation time: 2.8799550533 s
-154.3716566857
Anderson extrapolation: theta=1.3496137300 (1.3496137300)
-931.36905192
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0600290698
ExchangeOperator: pair fraction: ispin=0: 0.1483396431
ExchangeOperator: bisection time: 1.515 s
total exchange = -52.4195933342 (a.u.)
total exchange computation time: 2.8819959164 s
-154.3827416988
Anderson extrapolation: theta=0.0540395986 (0.0540395986)
-931.36920000
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0600290698
ExchangeOperator: pair fraction: ispin=0: 0.1483396431
ExchangeOperator: bisection time: 1.514 s
total exchange = -52.4194463867 (a.u.)
total exchange computation time: 2.8826239109 s
-154.3837709891
Anderson extrapolation: theta=1.9889201461 (1.9889201461)
-931.36920590
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0600290698
ExchangeOperator: pair fraction: ispin=0: 0.1483396431
ExchangeOperator: bisection time: 1.514 s
total exchange = -52.4191337728 (a.u.)
total exchange computation time: 2.8806679249 s
-154.3859104346
Anderson extrapolation: theta=0.2300643620 (0.2300643620)
-931.36921233
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0600290698
ExchangeOperator: pair fraction: ispin=0: 0.1483396431
ExchangeOperator: bisection time: 1.515 s
total exchange = -52.4190579882 (a.u.)
total exchange computation time: 2.8823158741 s
-154.3863922646
Anderson extrapolation: theta=1.8382816380 (1.8382816380)
-931.36921360
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0600290698
ExchangeOperator: pair fraction: ispin=0: 0.1483396431
ExchangeOperator: bisection time: 1.514 s
total exchange = -52.4189393245 (a.u.)
total exchange computation time: 2.8809099197 s
-154.3871090621
Anderson extrapolation: theta=0.2785138589 (0.2785138589)
-931.36921515
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0600290698
ExchangeOperator: pair fraction: ispin=0: 0.1483396431
ExchangeOperator: bisection time: 1.517 s
total exchange = -52.4189273091 (a.u.)
total exchange computation time: 2.8820018768 s
-154.3871418298
Anderson extrapolation: theta=1.2920596090 (1.2920596090)
-931.36921553
-25.623788 28.102914 -212.570084
562.868189 1075.165428 -404.411943
537.244401 1103.268342 -616.982026
1373.498963
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0600290698
ExchangeOperator: pair fraction: ispin=0: 0.1483396431
ExchangeOperator: bisection time: 1.514 s
total exchange = -52.4189276146 (a.u.)
total exchange computation time: 2.8835399151 s
679.49241992
-1085.45997824
89.80545899
-387.87407870
-174.91411018
79.20026409
551.60419304
0.00000000
-931.36921584
4.60197815 -30.83297196 -3.56113620
-0.00008275 -0.00018461 0.00005003
0.00671942 0.00477960 0.00257186
-11.96416827 2.06165811 -9.45191142
0.00048062 -0.00000225 0.00020172
-0.01704651 0.00383384 0.01186098
-36.18790341 1.25105967 3.12578177
0.00003409 0.00016794 0.00003255
-0.04082324 -0.02010039 0.01351483
-7.49530103 -3.60006676 2.54382859
0.00009383 0.00020523 0.00021106
-0.00079717 -0.00525460 -0.00343077
2.25397747 0.10813756 8.95334301
-0.00002072 0.00009045 0.00018998
0.00026655 0.00688275 -0.02976486
-30.94866937 1.36862734 2.73560905
0.00004697 0.00020451 -0.00016692
-0.01237459 0.01546664 -0.00022526
17.00484567 13.24964383 -17.87685808
-0.00005964 -0.00014543 -0.00045594
-0.08800775 0.01276077 -0.04370242
-3.43170682 5.24281949 5.55550406
0.00006231 -0.00020813 -0.00007270
-0.01073763 -0.00529830 0.01674013
5.84723202 17.20905340 -6.97314730
-0.00020725 -0.00039158 -0.00003809
-0.03054645 -0.01502379 0.00708306
7.17412355 5.63940255 -20.97215843
0.00024163 0.00017981 0.00012864
0.02426852 0.02325820 -0.04518264
18.60805896 19.63001046 -5.08353353
-0.00003089 0.00016128 0.00003709
0.01326596 -0.01931220 -0.03244700
1.92053744 13.90826358 -21.11648886
0.00017132 0.00017609 -0.00028815
0.01757599 -0.00801278 0.01197535
10.28757221 -5.36932745 0.30235800
0.00010384 0.00017634 0.00031745
0.03263589 -0.04939456 0.02804908
-18.34433271 -3.94341937 5.34553046
0.00037123 -0.00020912 -0.00007217
0.01158047 -0.00647053 0.01075249
-14.18316436 -1.42865653 20.54429186
-0.00027286 0.00019575 0.00007687
0.00308173 0.01275226 -0.02518745
1.60036490 3.67436290 -3.89885967
0.00000237 0.00004032 -0.00022361
-0.00848524 0.03909115 0.02666458
21.29458964 -10.61863654 -4.44388020
-0.00008970 -0.00007693 -0.00004388
-0.02634308 0.00039863 0.06024089
3.04981146 -10.31928565 7.95398058
0.00001745 -0.00021445 -0.00010130
0.02748114 0.00180320 -0.02302601
-1.85544821 -1.84070429 -19.47162652
0.00002343 -0.00006631 -0.00022845
0.00697293 0.00100042 -0.01559800
-0.21286696 3.51731031 -10.24433777
-0.00015172 0.00003225 -0.00063766
0.01551218 0.01405234 0.00074523
-5.02294301 14.62294620 14.47808149
0.00000233 0.00000934 -0.00015008
-0.00451165 0.00669573 0.02266595
-5.48547453 2.61117457 -7.36755995
0.00016276 0.00032632 0.00018089
-0.01259876 -0.00361751 0.01966440
-9.17829910 0.72030315 -4.15953482
-0.00004911 0.00019974 0.00001130
0.01662627 -0.00520738 -0.02413376
2.94898789 27.51239217 5.86933206
-0.00021418 -0.00027428 -0.00030358
0.00623506 0.00893019 0.01520188
10.02888051 -10.65677502 -1.58766788
-0.00019257 -0.00036669 0.00024928
0.04375347 -0.00371230 -0.02187936
-6.78989799 1.00580007 9.21445828
0.00013866 -0.00011365 0.00007271
0.00987050 -0.02197142 -0.00194585
20.44336014 10.82758318 6.98466448
-0.00005972 0.00004673 0.00004741
0.00995962 0.00585487 -0.00369277
-3.10422590 1.09580657 -23.80699221
-0.00004112 0.00007255 -0.00033147
0.06880119 0.00225552 0.02332680
-13.89909101 8.78083229 8.52274397
0.00048850 0.00019269 0.00020417
0.00383603 -0.02027202 0.02730922
-13.44026105 6.09323069 -3.29507417
-0.00024032 -0.00007391 -0.00006941
0.01639866 -0.00787726 0.00058689
-2.25295744 -15.35263944 20.59917120
-0.00013884 -0.00009479 -0.00012654
-0.02725898 -0.01006958 -0.00943547
-5.99536910 7.53947117 -8.17024954
0.00005516 0.00036449 0.00028950
-0.01648240 0.01613907 0.00760592
-19.80438340 30.45508296 1.07368657
0.00016862 -0.00025057 -0.00033997
-0.00263230 0.02061716 0.01072602
9.88118007 3.78330970 7.93725116
-0.00006208 0.00004337 0.00011942
-0.01446078 -0.00052270 -0.03000034
7.16921875 15.96911206 -11.73902805
-0.00000144 0.00024216 0.00022146
-0.00103999 -0.02774046 0.00898550
13.80701076 5.19221154 -1.18294714
-0.00034476 -0.00025202 -0.00010898
0.06791425 -0.04465741 0.01729378
-6.01585841 11.44770099 -2.20028364
-0.00027593 -0.00000867 0.00019639
0.03686983 -0.00663462 0.04339044
7.94145417 12.75179945 5.17743244
-0.00009559 -0.00039754 0.00013887
-0.05198278 0.05405072 0.02365870
21.89172011 -12.06477793 -9.68190849
-0.00040389 0.00014474 0.00018182
0.04658603 0.01911618 0.00257081
19.90514757 -5.97247944 -1.30552114
-0.00029545 0.00004069 0.00030596
0.00129332 0.00404438 0.00323433
14.64671975 7.98662327 8.70260712
0.00021874 0.00012203 0.00018074
0.01483490 -0.00819174 0.03594133
3.79669150 -13.80980664 16.36746901
0.00002722 0.00013415 0.00017964
0.00389102 0.01559295 0.01016281
-2.54753777 -2.46159295 -13.73321167
0.00008412 0.00015050 0.00012422
-0.01615405 0.02226710 -0.01570833
15.52687749 -7.36813416 -13.15613789
0.00001475 -0.00000603 -0.00004332
-0.03384511 0.01828009 0.01532983
9.58570121 -3.62637743 6.73151074
0.00020092 -0.00027056 -0.00017132
0.05645977 0.01289398 0.00515194
-19.39526211 1.38272089 24.90138007
-0.00013532 -0.00000366 0.00000272
-0.02507838 0.00344571 0.00116140
24.37011729 -1.27808178 -7.36814338
-0.00020899 0.00011474 -0.00010421
-0.01450030 0.01594367 -0.02231499
11.65775264 -10.44888247 -11.13894982
-0.00001237 -0.00018340 -0.00034253
-0.00286284 0.00949258 -0.03420812
-8.95629106 -10.83747526 16.45825658
0.00025512 0.00019464 0.00010365
-0.04945319 -0.01617550 -0.02264741
6.77369870 1.59303520 -27.85990722
0.00021082 -0.00003275 0.00002054
-0.00445004 -0.00286948 -0.04455359
12.64788953 18.81520875 13.03984568
-0.00009068 -0.00019212 -0.00014862
-0.02601579 0.00902157 0.01440406
26.07264806 7.51226677 -11.08071086
-0.00011900 0.00010967 -0.00003831
0.02084532 -0.00336351 -0.01653439
5.28729575 -29.46582907 -4.62885188
-0.00018266 -0.00060846 -0.00034410
-0.00427314 -0.00552427 0.00289038
4.25465707 -30.06345399 -1.92402492
0.00013390 0.00114799 0.00006617
-0.00572437 -0.00514780 -0.00372646
-10.23914380 1.81152762 -9.00668401
-0.00058515 0.00085745 0.00014275
0.00819566 -0.00104151 -0.00029155
-12.06867393 2.75395753 -11.14561349
0.00045081 -0.00016832 0.00000917
0.00292775 -0.00079644 -0.00944521
-36.95987971 2.68909759 2.16643011
-0.00089433 0.00093450 0.00007517
0.01007091 0.00347707 0.00976738
-37.73445204 0.33483815 3.82372501
0.00049295 0.00045661 0.00033099
0.03442707 0.01617376 -0.01718930
-8.79047019 -4.42156872 1.47209072
0.00003128 0.00042070 -0.00115683
0.00501058 -0.00046417 0.00897378
-6.24251501 -4.84414181 3.06047595
0.00030511 0.00016234 -0.00033148
-0.01007324 0.00085689 -0.00389192
2.60786433 0.07807963 7.09763120
0.00075187 -0.00012848 -0.00051044
-0.00450985 -0.00712401 0.02753606
1.59619482 1.80729855 9.21999741
0.00033451 -0.00071134 0.00003214
0.00031713 -0.00404940 0.00626281
-30.33984161 -0.31289451 2.38873915
-0.00014344 0.00048166 0.00004433
0.00879259 -0.01057228 0.00349885
-32.77415075 1.11422360 2.95462909
-0.00096899 -0.00135437 -0.00030496
0.00365370 0.00288817 -0.00060231
15.36221143 12.24173233 -18.26461313
0.00010047 -0.00075063 -0.00035473
0.04714724 0.02344377 0.01124441
18.05033614 12.21041168 -16.92707867
-0.00010250 0.00062512 -0.00041322
0.03740794 -0.03726135 0.02725030
-3.04475817 6.86971417 6.26120648
-0.00003068 0.00012073 0.00007485
0.00281178 0.00774155 0.00983010
-3.01993209 5.48758209 3.85164331
-0.00037818 -0.00066660 0.00043509
0.00919949 -0.00016545 -0.03093003
5.80553053 16.41749320 -8.62427617
-0.00028524 0.00084910 0.00051900
0.00516873 -0.00384178 -0.01145174
7.34712537 18.13748089 -7.03805666
0.00036255 0.00074123 -0.00023993
0.03008120 0.01897686 0.00280759
7.63594243 5.76401196 -22.96204849
-0.00029352 -0.00172508 -0.00071070
-0.01597943 -0.01675460 0.04522506
8.62305535 6.71896619 -20.41407854
-0.00001094 0.00053074 0.00008857
-0.01752251 -0.01090699 0.00770104
19.18609040 21.04711773 -4.14278761
-0.00012346 -0.00065706 -0.00005000
0.00230742 0.02136290 0.02449055
19.82758534 19.71177096 -6.47145129
-0.00071854 -0.00047365 -0.00119525
-0.00755579 -0.00710871 0.00513033
1.96540194 12.17536138 -20.51174111
-0.00162714 -0.00004728 0.00048081
0.00283371 0.00077109 -0.00494633
0.17422250 14.30485597 -21.27639705
0.00005519 0.00005960 -0.00095720
-0.01406525 0.00890161 -0.00658667
10.83461658 -6.62079619 -0.92631010
-0.00066659 -0.00047724 0.00042703
-0.00748995 0.00033996 0.00289650
9.73380787 -3.96326186 -0.58023932
0.00060148 -0.00030861 -0.00068782
-0.02374582 0.04121779 -0.03142296
-18.46798262 -4.90768000 6.88738526
0.00072198 -0.00086601 0.00024182
-0.00175476 0.00423051 0.00808141
-18.78422041 -5.22758137 4.15424373
0.00038618 -0.00025927 -0.00038494
-0.00730660 -0.00286543 -0.01779186
-14.49390076 -0.14359532 19.19577177
0.00074827 -0.00063773 0.00062378
-0.00136429 -0.01543906 0.00318817
-14.05998911 -0.42891078 22.04149330
0.00010691 0.00000500 0.00053652
-0.00246569 0.00512054 0.01818336
1.50934825 3.51947388 -2.05201521
-0.00095171 -0.00044878 -0.00025367
0.00678324 -0.01414179 -0.02042806
1.99897988 2.11985119 -4.67344304
0.00029066 0.00036085 -0.00058242
0.00404303 -0.02309156 -0.00382839
21.73849501 -10.60660339 -6.10610986
0.00098535 0.00012979 0.00031424
0.01342479 0.00251146 -0.06043514
22.58051262 -9.71868419 -3.55735387
-0.00050937 -0.00079337 -0.00111719
0.01051766 0.00696838 0.00398780
4.72153448 -10.34322248 7.01883521
0.00010677 0.00016033 -0.00069924
-0.03182641 -0.00358928 0.02322623
2.94579630 -11.79226976 9.06597019
0.00011730 0.00002978 -0.00039207
0.00860851 0.00475751 -0.00158200
-1.97145049 -3.28695290 -20.63622931
-0.00007682 0.00073689 -0.00011509
-0.00431475 0.00882252 0.00805908
-3.44900608 -1.61740329 -18.64956576
-0.00060486 0.00000479 0.00008390
-0.00465643 -0.00757056 0.00483401
0.57626863 5.14982821 -9.81159610
-0.00011432 0.00031736 0.00063979
-0.01286843 -0.01826480 -0.00649098
-1.84940747 3.45190313 -9.47733237
-0.00075213 0.00019178 0.00203980
-0.00351613 0.00805681 0.00493237
-3.61855706 14.86816367 15.64647034
0.00026637 0.00151153 0.00068361
-0.00335320 -0.00498599 -0.01112042
-6.45051479 14.62843365 15.67593363
-0.00050104 0.00084907 -0.00007981
0.00858569 -0.00206710 -0.01970535
-6.79353415 1.90739425 -6.20445921
-0.00018114 0.00046335 -0.00028681
0.01642752 -0.00208916 -0.01403337
-4.96707576 1.27515231 -8.47047585
0.00077781 -0.00012150 0.00032082
-0.00719788 -0.00442385 -0.00317090
-10.22121280 -0.49412132 -3.38730168
0.00011211 -0.00039317 0.00021054
-0.01557851 -0.02165565 0.00484877
-9.25081666 2.10169504 -3.04717417
-0.00121145 -0.00035061 0.00112443
0.00172726 0.03289420 0.02085083
2.70283928 29.09594637 5.02581638
0.00123591 0.00020274 0.00026204
-0.00608721 0.00561569 -0.00914028
3.45487254 28.05734473 7.55173683
0.00024213 0.00042295 0.00101867
-0.00356363 -0.00919040 -0.00186200
8.34544678 -10.24263462 -1.31021609
0.00020769 -0.00113626 0.00064156
-0.03547157 0.00882475 0.01106991
10.94509395 -11.17821527 -0.03367920
0.00056767 0.00048031 0.00055549
-0.01869106 0.00020526 -0.00396663
-5.23233745 -0.04143863 8.92341253
-0.00036616 0.00111879 -0.00003073
-0.02187667 0.00944538 -0.00001766
-8.16321771 -0.23517293 9.31894220
-0.00075412 0.00052082 -0.00025226
0.01139529 0.01047760 -0.00166477
20.52137301 11.03984970 8.79216339
-0.00048440 0.00019554 -0.00101280
-0.00434444 -0.00590409 0.00684851
22.15010957 11.48953892 6.57985149
-0.00147102 -0.00131639 -0.00039839
-0.00707814 -0.00698465 0.00068966
-2.83518055 0.57052202 -22.03646377
0.00004237 -0.00147130 0.00121308
0.00064274 -0.00343652 -0.01473842
-4.79212473 1.04110268 -24.08421473
0.00043740 0.00019157 -0.00020738
-0.07162938 0.00072970 -0.00863805
-12.69590875 9.47861223 9.74952137
-0.00025851 0.00020412 -0.00014340
-0.00092515 0.00085348 -0.00284183
-13.70250937 9.89092799 7.13440727
0.00064060 -0.00077907 -0.00051224
-0.00318923 0.01278573 -0.01798803
-13.87292070 5.09063361 -4.74603113
-0.00079422 -0.00029942 0.00023027
-0.00743840 -0.00997675 -0.00141929
-14.29896102 7.63752999 -3.50841094
0.00094037 0.00004654 -0.00054273
-0.00855499 0.02586665 -0.01027120
-4.05363066 -15.60342172 20.13749542
-0.00030067 -0.00012991 -0.00018068
0.01906244 0.00643119 0.01243730
-1.51313762 -16.59059051 19.46741019
-0.00030092 -0.00004597 0.00052294
0.00388485 0.00015596 -0.00106435
-6.09666920 5.83496974 -7.52799948
0.00093580 0.00014338 0.00090003
0.00654626 -0.00939262 -0.00767887
-7.28144935 8.44705259 -7.15774676
-0.00082531 -0.00103444 0.00073197
0.01263193 0.00456241 -0.01048388
-21.19529817 29.76436555 0.11661542
0.00045602 -0.00086626 0.00117093
0.00471873 -0.00692161 0.00237858
-18.34217230 29.39508001 1.35690653
0.00050736 0.00041281 -0.00069390
0.00037363 -0.01033961 -0.01225798
9.22139031 2.81236191 6.39839914
0.00046132 -0.00096113 -0.00045178
0.00619524 0.02511595 0.03235335
9.11856345 5.52696341 8.03260918
-0.00042027 0.00069737 -0.00010022
0.00817269 -0.02169459 -0.01009876
8.27497604 17.30765175 -12.20035224
-0.00063398 0.00056586 -0.00037713
0.01196099 0.01436460 -0.00554307
8.30926754 14.49845628 -11.76243890
0.00116259 0.00043486 -0.00079386
-0.01155896 0.00912610 -0.00196335
12.27792591 5.96324535 -1.40310607
-0.00019704 -0.00025555 0.00065326
-0.05314434 0.02410573 0.00031951
13.90249136 4.23015338 0.44409334
-0.00017965 -0.00048336 -0.00010128
-0.01188314 0.01327436 -0.02234796
-4.18631199 11.15265760 -1.95431407
-0.00043748 0.00029991 0.00020676
-0.01065353 0.00303313 -0.01873309
-6.66181285 10.50407377 -0.75756101
-0.00103830 0.00106797 -0.00054145
-0.00804498 0.00446529 -0.00547160
7.25470434 14.35004559 4.43420637
0.00016539 -0.00024300 0.00054229
0.01608961 -0.02859072 0.01176553
8.99114989 12.01793898 3.99169673
-0.00046163 0.00070003 0.00068228
0.03341161 -0.02057636 -0.03843109
20.47228524 -12.84304462 -8.98428392
0.00068813 -0.00055013 0.00021301
-0.03076377 -0.01882605 0.01850052
23.37952851 -12.36552767 -8.54729234
-0.00039274 0.00021332 -0.00022280
-0.02681636 -0.00215082 -0.01870395
19.82251090 -4.90653319 -2.80425213
0.00070607 -0.00010540 0.00052971
0.00199985 0.00844741 -0.00137316
18.36655453 -6.90495257 -1.48211389
0.00043377 0.00040051 0.00052004
-0.00823160 -0.00799294 0.00571144
13.75819867 9.53308865 8.50828537
0.00061845 0.00014582 0.00033878
-0.00618213 0.00664502 -0.00045890
14.95731531 7.88721510 10.59592638
0.00028096 -0.00064813 -0.00000604
-0.00135580 -0.00095910 -0.02811177
2.96324791 -15.12522780 17.35753525
-0.00022136 -0.00114756 -0.00018676
0.00106525 0.00050830 -0.00269946
3.93785403 -12.26681646 17.42919777
-0.00061913 0.00093253 -0.00094798
-0.00384019 -0.01614451 -0.01142889
-2.77631784 -3.89191142 -12.70040328
-0.00001536 -0.00020548 0.00036172
0.00130290 -0.01471425 0.01493671
-1.25615121 -1.35239064 -13.08204803
-0.00035753 -0.00010470 -0.00046400
0.01425219 -0.00595807 0.00079326
16.12605947 -7.85677980 -14.77959838
0.00017606 0.00050953 0.00006003
0.01289576 -0.00760006 -0.02034533
16.50176203 -8.02326163 -11.80937915
0.00007992 -0.00077352 -0.00112224
0.01702772 -0.00803931 0.01288862
7.87770051 -3.96002224 6.50433361
0.00072894 0.00051773 0.00040222
-0.03652966 -0.00681571 -0.02228253
10.60848480 -3.91448033 5.21208647
0.00012128 -0.00063721 -0.00004095
-0.01789751 -0.00011624 0.01203559
-21.22151334 1.01188971 25.10125100
0.00094012 -0.00022003 -0.00004281
0.02539711 -0.00298214 -0.00264370
-19.17046777 2.97126433 25.82327210
0.00044973 0.00022040 0.00014321
-0.00192628 -0.00496247 0.00096779
25.35981170 -2.77550393 -7.31435785
-0.00052119 0.00069986 0.00005403
0.01778178 -0.02221170 0.01391300
24.19691819 -1.11785005 -9.20575745
-0.00169820 0.00009272 0.00037298
-0.00191743 0.01191661 0.00843441
11.66280917 -9.98079577 -9.41456422
-0.00028651 0.00030325 -0.00031724
0.01024166 0.00448897 0.02413705
12.79727900 -9.28921200 -12.10173295
0.00048415 -0.00054181 -0.00015878
-0.00752190 -0.00476553 0.01507920
-7.68351850 -10.59053068 17.68447600
0.00114257 0.00016983 0.00034158
0.03228303 0.00344200 0.01422967
-10.26648948 -11.40834638 17.65527984
0.00027349 0.00075997 0.00024288
-0.00186147 0.01012459 -0.01361701
7.92215143 2.07493124 -29.32470072
0.00021718 -0.00001251 -0.00017814
-0.00142482 -0.01245047 0.01786305
5.43366375 0.70613777 -28.86913766
0.00006622 -0.00012610 0.00074257
0.01055051 0.01114128 0.02214145
14.32165715 19.17731421 13.45912434
-0.00034466 0.00019715 -0.00030775
0.03143569 0.01187260 0.02322948
12.98883979 17.86799796 11.59876185
0.00069157 -0.00017350 -0.00059423
-0.00375264 -0.02600876 -0.03702793
27.81861380 7.67790101 -11.71186885
-0.00048455 -0.00012817 0.00046186
-0.00973815 0.00144339 -0.00260025
26.30561176 7.69459090 -9.29191708
-0.00065928 -0.00017038 0.00038296
-0.00162087 0.00053488 0.01636072
-7.93882975 4.66020501 6.08292151
0.00012967 0.00014698 0.00004960
0.00047082 -0.00841202 0.00389422
-10.49182278 9.19966211 2.90303680
0.00012892 -0.00005818 0.00008797
0.01414825 -0.00429068 0.01217171
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.07690550
0.29231034
389.48887168
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0600290698
ExchangeOperator: pair fraction: ispin=0: 0.1483396431
ExchangeOperator: bisection time: 1.515 s
total exchange = -52.4236389705 (a.u.)
total exchange computation time: 2.8825359344 s
-154.3674937211
-931.36464400
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0600290698
ExchangeOperator: pair fraction: ispin=0: 0.1483396431
ExchangeOperator: bisection time: 1.514 s
total exchange = -52.4226382101 (a.u.)
total exchange computation time: 2.8797740936 s
-154.3761448767
Anderson extrapolation: theta=1.3443657052 (1.3443657052)
-931.36490416
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0600290698
ExchangeOperator: pair fraction: ispin=0: 0.1483396431
ExchangeOperator: bisection time: 1.515 s
total exchange = -52.4211786514 (a.u.)
total exchange computation time: 2.8827681541 s
-154.3882936838
Anderson extrapolation: theta=0.0524633587 (0.0524633587)
-931.36505902
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0600290698
ExchangeOperator: pair fraction: ispin=0: 0.1483396431
ExchangeOperator: bisection time: 1.512 s
total exchange = -52.4210127935 (a.u.)
total exchange computation time: 2.8801510334 s
-154.3894112793
Anderson extrapolation: theta=1.9693009891 (1.9693009891)
-931.36506502
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0600290698
ExchangeOperator: pair fraction: ispin=0: 0.1483396431
ExchangeOperator: bisection time: 1.514 s
total exchange = -52.4206593568 (a.u.)
total exchange computation time: 2.8797159195 s
-154.3917320749
Anderson extrapolation: theta=0.2290906029 (0.2290906029)
-931.36507152
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0600290698
ExchangeOperator: pair fraction: ispin=0: 0.1483396431
ExchangeOperator: bisection time: 1.516 s
total exchange = -52.4205701124 (a.u.)
total exchange computation time: 2.8807129860 s
-154.3922712836
Anderson extrapolation: theta=1.8504337829 (1.8504337829)
-931.36507284
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0600290698
ExchangeOperator: pair fraction: ispin=0: 0.1483396431
ExchangeOperator: bisection time: 1.513 s
total exchange = -52.4204253158 (a.u.)
total exchange computation time: 2.8798642159 s
-154.3930983019
Anderson extrapolation: theta=0.2755141336 (0.2755141336)
-931.36507452
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0600290698
ExchangeOperator: pair fraction: ispin=0: 0.1483396431
ExchangeOperator: bisection time: 1.513 s
total exchange = -52.4204070152 (a.u.)
total exchange computation time: 2.8830230236 s
-154.3931537042
Anderson extrapolation: theta=1.2716009627 (1.2716009627)
-931.36507495
-25.645084 28.113045 -212.524500
562.843432 1075.162636 -404.416716
537.198347 1103.275681 -616.941216
1373.468513
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0600290698
ExchangeOperator: pair fraction: ispin=0: 0.1483396431
ExchangeOperator: bisection time: 1.518 s
total exchange = -52.4204009295 (a.u.)
total exchange computation time: 2.8826057911 s
679.51802031
-1085.51979841
89.80723214
-387.83196334
-174.91816509
79.23410515
551.60419304
0.00000000
-931.36507533
4.60076282 -30.83572262 -3.56037584
-0.00007955 -0.00018174 0.00005226
0.00571115 0.00634881 0.00611970
-11.95702472 2.06163918 -9.44883982
0.00046944 0.00000015 0.00020687
-0.02642914 0.00549560 0.00814216
-36.18754955 1.25350121 3.12632216
0.00001306 0.00015881 0.00003871
-0.04096204 -0.01541073 0.01043933
-7.49389665 -3.59700856 2.54698120
0.00009267 0.00020211 0.00020862
-0.00373180 -0.00687529 -0.00603138
2.25366765 0.10952081 8.95607795
-0.00001966 0.00009230 0.00017326
0.00387896 0.00034311 -0.03524984
-30.94801258 1.37175463 2.73310435
0.00003831 0.00021247 -0.00016670
-0.02129732 0.01550270 0.00108457
17.00361160 13.24751161 -17.88386570
-0.00010532 -0.00013854 -0.00047884
-0.08961514 0.01401142 -0.04534787
-3.43081365 5.23967704 5.55447816
0.00005657 -0.00021042 -0.00006236
-0.01158185 -0.00360007 0.02346585
5.84400541 17.20312172 -6.97369132
-0.00022050 -0.00039687 -0.00003281
-0.02096333 -0.00553869 0.01345917
7.17784157 5.64218941 -20.97040315
0.00025376 0.00019126 0.00010519
0.02291745 0.02124769 -0.04598765
18.60764678 19.63235521 -5.08310229
-0.00002424 0.00015001 0.00001901
0.01260245 -0.02452713 -0.03787537
1.92317510 13.91087398 -21.12076498
0.00017968 0.00017115 -0.00028161
0.01492705 -0.01117654 0.01346679
10.28925576 -5.36687283 0.30722789
0.00012060 0.00015109 0.00033147
0.03253343 -0.04882093 0.02648699
-18.33871952 -3.94658112 5.34448946
0.00037699 -0.00021339 -0.00006602
0.01078613 -0.01013917 0.01314819
-14.18724543 -1.42567116 20.54534769
-0.00027083 0.00020134 0.00006575
0.00483002 0.00901655 -0.01802152
1.60036765 3.67511846 -3.90211100
-0.00000200 0.00006043 -0.00020989
-0.00848780 0.03912287 0.02668138
21.29314256 -10.61978893 -4.44430609
-0.00010476 -0.00007780 -0.00001462
-0.03222920 -0.00377275 0.05357581
3.05017925 -10.32249538 7.95237224
0.00003191 -0.00021292 -0.00011382
0.02875261 0.00414456 -0.02564465
-1.85506992 -1.84169512 -19.47511336
0.00002572 -0.00006453 -0.00023506
0.00196054 0.00593220 -0.01012504
-0.21508291 3.51784822 -10.25389979
-0.00014663 0.00004028 -0.00063534
0.00427891 0.01717689 0.00828138
-5.02292552 14.62311214 14.47591770
0.00000078 0.00001315 -0.00013698
-0.00151113 0.00813559 0.02828013
-5.48308166 2.61605547 -7.36477076
0.00015672 0.00032385 0.00019026
-0.01089702 -0.00598805 0.01678667
-9.17897162 0.72327921 -4.15945845
-0.00004136 0.00019705 0.00000009
0.01352863 -0.00524948 -0.01945842
2.94579921 27.50831243 5.86483702
-0.00021017 -0.00026877 -0.00029316
0.00936777 0.01250959 0.02532950
10.02616076 -10.66228964 -1.58401314
-0.00016878 -0.00036884 0.00023832
0.04874461 -0.00464760 -0.02073374
-6.78778007 1.00401055 9.21554141
0.00014201 -0.00012390 0.00007197
0.00317406 -0.01787005 -0.00094648
20.44250280 10.82830673 6.98536145
-0.00005716 0.00004853 0.00004402
-0.00000785 0.00115366 -0.00949749
-3.10457723 1.09690353 -23.81187425
-0.00000424 0.00007281 -0.00031652
0.07461274 -0.00124601 0.03480833
-13.89174866 8.78364449 8.52591180
0.00048952 0.00018172 0.00021726
0.00013081 -0.02238046 0.02359392
-13.44380257 6.09209158 -3.29611302
-0.00023167 -0.00007887 -0.00006898
0.01722860 -0.01140785 0.00108230
-2.25514518 -15.35410009 20.59723676
-0.00015347 -0.00009936 -0.00013086
-0.02962048 -0.00770458 -0.00737125
-5.99460523 7.54500073 -8.16587773
0.00004637 0.00037197 0.00029396
-0.01772965 0.01294109 0.00976536
-19.80186427 30.45140394 1.06862835
0.00016818 -0.00023925 -0.00033374
0.00092024 0.02341180 0.01351548
9.88019306 3.78395821 7.93892678
-0.00007000 0.00004334 0.00010346
-0.01634298 0.00040131 -0.03208068
7.16919308 15.97263749 -11.73567153
-0.00000118 0.00022732 0.00022587
0.00205666 -0.02997781 0.00816855
13.80210138 5.18825895 -1.18451511
-0.00030972 -0.00027517 -0.00009999
0.06834164 -0.04534748 0.01767496
-6.01985508 11.44754536 -2.19717035
-0.00025678 -0.00001105 0.00021734
0.03757107 -0.00260717 0.03805005
7.93981982 12.74604477 5.17960677
-0.00012363 -0.00036897 0.00015266
-0.05705251 0.05706589 0.02994793
21.88584141 -12.06253311 -9.67917128
-0.00037937 0.00015514 0.00018250
0.04875720 0.02133719 0.00007250
19.90072079 -5.97185347 -1.30091934
-0.00029321 0.00004338 0.00030823
0.00743536 0.00641740 0.00562966
14.65005810 7.98842205 8.70545685
0.00022657 0.00011736 0.00019891
0.01559545 -0.00994268 0.03472222
3.79711478 -13.80773429 16.37020282
0.00002864 0.00014097 0.00018499
0.00162522 0.01095667 0.01062730
-2.54633821 -2.45924952 -13.73140894
0.00007471 0.00016018 0.00011625
-0.02044915 0.01537619 -0.01528119
15.52696822 -7.36815415 -13.15672849
-0.00000306 0.00000366 -0.00003603
-0.03540312 0.01941927 0.01300355
9.58893280 -3.63038607 6.72896086
0.00023148 -0.00026364 -0.00016825
0.06236622 0.01402101 0.00676359
-19.39738870 1.38267928 24.90142530
-0.00014623 -0.00000117 0.00000334
-0.01732278 0.00622803 0.00124656
24.36692645 -1.27629921 -7.36979267
-0.00021720 0.00012399 -0.00011500
-0.01739761 0.02003285 -0.01963493
11.65755597 -10.45159685 -11.14421978
-0.00001378 -0.00017836 -0.00035959
-0.00260127 0.01009749 -0.03211360
-8.95265508 -10.83461810 16.45972404
0.00023100 0.00018670 0.00009302
-0.04431691 -0.01469295 -0.01871817
6.77684382 1.59253292 -27.85977097
0.00020892 -0.00003399 -0.00000219
-0.00294997 -0.00195519 -0.04382367
12.64642902 18.81236181 13.03767198
-0.00010406 -0.00018839 -0.00014253
-0.02601847 0.00546260 0.00925496
26.07094348 7.51389883 -11.08134933
-0.00010906 0.00010789 -0.00004588
0.01781425 -0.00356471 -0.01290810
5.28442495 -29.47512524 -4.63392477
-0.00019915 -0.00063001 -0.00033368
-0.00380090 -0.00502655 0.00220996
4.25649022 -30.04639188 -1.92314649
0.00011155 0.00112232 0.00004458
-0.00521604 -0.00741826 -0.00684354
-10.24766994 1.82435742 -9.00455167
-0.00053210 0.00085038 0.00014713
0.01777475 -0.00241838 0.00243628
-12.06182213 2.75140831 -11.14576539
0.00046215 -0.00017190 -0.00002774
0.00262512 -0.00095526 -0.00862348
-36.97298598 2.70322164 2.16785697
-0.00084777 0.00094265 0.00011949
0.01271909 0.00051024 0.01192534
-37.72600290 0.34218285 3.82816317
0.00062932 0.00051932 0.00026257
0.03232873 0.01452496 -0.01630236
-8.78984738 -4.41527238 1.45501318
0.00005779 0.00042206 -0.00111430
0.00796329 0.00112822 0.01184589
-6.23824701 -4.84168038 3.05538445
0.00026360 0.00016551 -0.00034760
-0.01024553 0.00069194 -0.00399773
2.61900422 0.07593411 7.09081846
0.00073085 -0.00015681 -0.00038831
-0.00577870 -0.00674093 0.03224414
1.60122222 1.79650434 9.22067146
0.00033126 -0.00071536 0.00005882
-0.00190969 0.00208350 0.00679555
-30.34172374 -0.30599360 2.38951139
-0.00010387 0.00043399 0.00005736
0.01057673 -0.01276129 0.00287805
-32.78857364 1.09399655 2.95003631
-0.00093967 -0.00133772 -0.00030866
0.01069847 0.00526246 -0.00120891
15.36516316 12.23119123 -18.26958944
0.00029295 -0.00065411 -0.00030864
0.04707378 0.02380246 0.01131674
18.04994495 12.21864664 -16.93244189
0.00005376 0.00046960 -0.00029875
0.03908021 -0.03886366 0.02878141
-3.04513215 6.87176231 6.26263052
-0.00002026 0.00014694 0.00011202
0.00228792 0.00508925 0.00836264
-3.02532294 5.47757796 3.85722190
-0.00033785 -0.00066542 0.00029798
0.01054378 0.00074298 -0.03618924
5.80141039 16.43011195 -8.61684213
-0.00026487 0.00082605 0.00045858
0.00479787 -0.00744023 -0.01812039
7.35348538 18.14918078 -7.04156957
0.00046644 0.00080699 -0.00022752
0.02077358 0.01321370 0.00326666
7.63105001 5.73762240 -22.97132309
-0.00035670 -0.00178878 -0.00052355
-0.01494931 -0.01442993 0.04638459
8.62235424 6.72659302 -20.41251400
-0.00008178 0.00048601 0.00011794
-0.01715005 -0.01098945 0.00667331
19.18430916 21.03791645 -4.14278715
-0.00010905 -0.00056062 0.00005436
0.00474789 0.02584455 0.02659430
19.81657570 19.70444846 -6.48922287
-0.00075315 -0.00050113 -0.00116754
-0.00938805 -0.00634700 0.00843640
1.94108166 12.17467578 -20.50468059
-0.00161280 -0.00003862 0.00045824
0.00418631 0.00346726 -0.00609902
0.17461929 14.30602272 -21.29095687
0.00000062 0.00009747 -0.00098467
-0.01264672 0.00963695 -0.00686176
10.82438824 -6.62794436 -0.91981593
-0.00069719 -0.00047563 0.00044054
-0.00748813 0.00044628 0.00371831
9.74210244 -3.96662801 -0.59151955
0.00050466 -0.00014127 -0.00081480
-0.02364834 0.04069840 -0.03073119
-18.45720664 -4.92054051 6.89126022
0.00071528 -0.00084419 0.00026672
-0.00152501 0.00645058 0.00410633
-18.77865165 -5.23155829 4.14792445
0.00035728 -0.00026801 -0.00045427
-0.00683893 -0.00141138 -0.01614865
-14.48271857 -0.15363434 19.20522622
0.00074003 -0.00069089 0.00062788
-0.00266660 -0.01058601 -0.00118476
-14.05846096 -0.42867881 22.05009832
0.00009617 0.00002324 0.00060580
-0.00279181 0.00380509 0.01572779
1.49528051 3.51230881 -2.05644630
-0.00092370 -0.00050638 -0.00033749
0.00692650 -0.01405434 -0.02059867
2.00346370 2.12455639 -4.68229666
0.00030707 0.00026639 -0.00059799
0.00398820 -0.02314672 -0.00379250
21.75368666 -10.60457951 -6.10324825
0.00103793 0.00013878 0.00006809
0.01231247 0.00188691 -0.06005270
22.57319431 -9.73037116 -3.57398947
-0.00045236 -0.00075496 -0.00108763
0.01738967 0.01183098 0.01048250
4.72216070 -10.34092751 7.00905829
-0.00002581 0.00014480 -0.00060179
-0.03306935 -0.00401514 0.02447612
2.94781963 -11.79167721 9.06004059
0.00015274 0.00004518 -0.00039554
0.00873642 0.00277637 -0.00011592
-1.97273499 -3.27562914 -20.63770870
-0.00009500 0.00076454 -0.00008813
-0.00458320 0.00471077 0.00513576
-3.45822165 -1.61756337 -18.64815912
-0.00061335 -0.00002758 0.00009837
0.00050135 -0.00827544 0.00224936
0.57415955 5.15402895 -9.80219814
-0.00016825 0.00023679 0.00061059
-0.01353126 -0.02117772 -0.00780481
-1.86079714 3.45502669 -9.44658425
-0.00074259 0.00022420 0.00204783
0.00818702 0.00781530 -0.00100220
-3.61466421 14.89068387 15.65638372
0.00024242 0.00148877 0.00062985
-0.00837396 -0.00615610 -0.01519576
-6.45776723 14.64110642 15.67413263
-0.00046185 0.00084006 -0.00016342
0.01059497 -0.00234756 -0.02122142
-6.79574788 1.91428047 -6.20919142
-0.00011514 0.00045416 -0.00034231
0.01587928 -0.00240995 -0.01313163
-4.95562919 1.27319420 -8.46576065
0.00074613 -0.00013433 0.00031230
-0.00831140 -0.00185629 -0.00100120
-10.22000856 -0.50068250 -3.38399506
0.00005374 -0.00047729 0.00022552
-0.01299072 -0.01951979 0.00248663
-9.26893549 2.09744390 -3.02966874
-0.00120298 -0.00022077 0.00120418
0.00241917 0.03066246 0.01818614
2.72119141 29.09915959 5.02946686
0.00121084 0.00022582 0.00022323
-0.00618443 0.00568007 -0.00985691
3.45839526 28.06340729 7.56695986
0.00022149 0.00037793 0.00099211
-0.00653984 -0.01284651 -0.01114012
8.34747523 -10.25940812 -1.30025353
0.00005451 -0.00109856 0.00068825
-0.03951354 0.00963035 0.01178509
10.95303623 -11.17100427 -0.02546847
0.00048909 0.00048147 0.00053556
-0.01977580 0.00036146 -0.00578757
-5.23850017 -0.02436732 8.92295101
-0.00044642 0.00114863 -0.00003248
-0.01741417 0.00516248 -0.00083905
-8.17418033 -0.22703950 9.31510730
-0.00070342 0.00056426 -0.00025929
0.01342454 0.01078225 -0.00177488
20.51397384 11.04260181 8.77718131
-0.00050120 0.00017346 -0.00096820
-0.00387950 -0.00490231 0.01498337
22.12782742 11.46957905 6.57389678
-0.00148058 -0.00133694 -0.00040035
0.00239442 -0.00307552 -0.00164901
-2.83452531 0.54834718 -22.01871915
0.00004187 -0.00147840 0.00113117
-0.00088961 -0.00003835 -0.02535933
-4.78775869 1.04399853 -24.08759014
0.00013660 0.00019447 -0.00024389
-0.07561461 0.00069113 -0.00923455
-12.69981468 9.48170014 9.74728334
-0.00025572 0.00021148 -0.00014898
0.00228780 0.00274867 0.00010841
-13.69299811 9.87963373 7.12617241
0.00062804 -0.00072754 -0.00058451
-0.00295953 0.01244064 -0.01738602
-13.88506200 5.08583660 -4.74262062
-0.00082435 -0.00034000 0.00022468
-0.00730753 -0.00988979 -0.00131452
-14.28511764 7.63902077 -3.51686660
0.00090253 0.00015793 -0.00058472
-0.00996697 0.02865754 -0.01028356
-4.05755664 -15.60517335 20.13516636
-0.00022114 -0.00010347 -0.00012942
0.01986836 0.00651523 0.01265415
-1.51753239 -16.59127529 19.47522171
-0.00028224 -0.00005009 0.00051403
0.00525839 -0.00217254 -0.00329605
-6.08243164 5.83683259 -7.51473427
0.00096357 0.00011008 0.00086561
0.00704754 -0.00690786 -0.00917152
-7.29344198 8.43167572 -7.14708842
-0.00077206 -0.00101438 0.00068735
0.01343840 0.00525929 -0.01135736
-21.18831323 29.75115956 0.13425222
0.00046629 -0.00089892 0.00117406
0.00030709 -0.00906484 -0.00084262
-18.33455038 29.40095525 1.34612248
0.00051051 0.00036920 -0.00074298
0.00116620 -0.01100674 -0.01177116
9.22849995 2.79871452 6.39261390
0.00048790 -0.00085357 -0.00031446
0.00681481 0.02753638 0.03486550
9.11250985 5.53675914 8.03079640
-0.00038411 0.00060211 -0.00014196
0.00952899 -0.02493697 -0.01033295
8.26583281 17.31657976 -12.20617904
-0.00058601 0.00062405 -0.00039915
0.01152413 0.01412325 -0.00523818
8.32635225 14.50525883 -11.77440691
0.00111021 0.00047729 -0.00080095
-0.01408241 0.01164453 -0.00150763
12.27334179 5.96015071 -1.39329738
-0.00041565 -0.00015576 0.00065451
-0.05386557 0.02474186 0.00029017
13.89943244 4.22330977 0.44188933
-0.00022768 -0.00042881 -0.00019290
-0.01162455 0.01342562 -0.02249889
-4.19320072 11.15724922 -1.95178677
-0.00047864 0.00031090 0.00013168
-0.00949421 0.00234451 -0.01801790
-6.67763389 10.52023022 -0.76585042
-0.00107426 0.00107918 -0.00055366
-0.00955909 0.00101911 -0.00050442
7.25767816 14.34552442 4.44270132
0.00022960 -0.00035741 0.00058979
0.01534497 -0.02741290 0.01148647
8.98524931 12.02780892 4.00075335
-0.00031335 0.00060814 0.00051253
0.03917347 -0.02440254 -0.04466641
20.48166449 -12.85187341 -8.98052185
0.00055470 -0.00063101 0.00029172
-0.03455224 -0.02076488 0.02002767
23.37281571 -12.36239378 -8.55120743
-0.00049871 0.00020431 -0.00029768
-0.02505911 -0.00226097 -0.01795395
19.83316330 -4.90785526 -2.79634856
0.00071322 -0.00006956 0.00052098
0.00149821 0.00909522 -0.00289901
18.37280890 -6.89918991 -1.47413825
0.00038857 0.00036156 0.00054124
-0.01389448 -0.01107109 0.00466627
13.76728596 9.53547956 8.51335301
0.00059174 0.00017529 0.00033727
-0.00689193 0.00778357 -0.00027913
14.96148815 7.87746380 10.59497429
0.00027531 -0.00065090 -0.00011871
-0.00141049 -0.00039807 -0.02704061
2.95996019 -15.14242558 17.35465108
-0.00021187 -0.00113516 -0.00020172
0.00358055 0.00556002 -0.00462279
3.92844944 -12.25332317 17.41462791
-0.00063519 0.00086498 -0.00099148
-0.00402222 -0.01692370 -0.00986629
-2.77650830 -3.89544452 -12.69451980
-0.00000854 -0.00025792 0.00041752
0.00203610 -0.01095659 0.01237666
-1.26107741 -1.35414376 -13.08898375
-0.00029188 -0.00012299 -0.00045657
0.01788488 -0.00299496 0.00284687
16.12909555 -7.84936973 -14.77932136
0.00022806 0.00047863 -0.00002547
0.01255785 -0.00752482 -0.02150590
16.50348268 -8.03511078 -11.82581784
0.00015343 -0.00080894 -0.00106274
0.01895467 -0.00929712 0.01624012
7.88751529 -3.95246515 6.50968415
0.00056696 0.00048768 0.00030911
-0.04276449 -0.00789583 -0.02329595
10.60975553 -3.92404205 5.21184108
0.00004891 -0.00063783 0.00000657
-0.01752923 -0.00018808 0.01122572
-21.20663325 1.00849783 25.10052791
0.00102987 -0.00023387 -0.00005169
0.01853700 -0.00378936 -0.00170586
-19.16378088 2.97441822 25.82544986
0.00043997 0.00019627 0.00014512
-0.00285290 -0.00684705 -0.00003228
25.35253866 -2.76568670 -7.31312103
-0.00044331 0.00060092 0.00011003
0.02034435 -0.02621880 0.01349772
24.17138644 -1.11609404 -9.19990425
-0.00170509 0.00014111 0.00040292
-0.00145755 0.01176927 0.00622029
11.65882537 -9.97610939 -9.41858313
-0.00024478 0.00032049 -0.00022206
0.01018709 0.00394953 0.02245391
12.80431077 -9.29748513 -12.10365261
0.00045305 -0.00056075 -0.00009755
-0.00770009 -0.00450911 0.01489277
-7.66539071 -10.58787775 17.69003578
0.00126353 0.00018126 0.00038989
0.02692571 0.00215083 0.00941851
-10.26244424 -11.39663663 17.65850572
0.00026544 0.00080081 0.00018840
-0.00207455 0.00987022 -0.01305072
7.92536554 2.07436202 -29.32682550
0.00020998 -0.00006402 -0.00010458
-0.00210348 -0.01276041 0.01814847
5.43498040 0.70458772 -28.85732058
0.00010779 -0.00008151 0.00083017
0.00979776 0.01068288 0.02073726
14.31745054 19.18063522 13.45521994
-0.00021408 0.00024682 -0.00021186
0.03248630 0.01244322 0.02370727
12.99909830 17.86459845 11.58871369
0.00067395 -0.00027364 -0.00073602
-0.00487121 -0.02300732 -0.03237588
27.81104711 7.67602273 -11.70502061
-0.00051745 -0.00012156 0.00044949
-0.00636667 0.00179243 -0.00345394
26.29567288 7.69205167 -9.28567130
-0.00066617 -0.00016850 0.00044455
-0.00175275 0.00038153 0.01378503
-7.93688344 4.66238710 6.08367598
0.00012981 0.00014398 0.00005099
0.00031268 -0.00835438 0.00388457
-10.48986437 9.19878186 2.90437748
0.00013222 -0.00005917 0.00009080
0.01428974 -0.00417213 0.01225727
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.07686647
0.28820887
384.02386771
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0591569767
ExchangeOperator: pair fraction: ispin=0: 0.1461763115
ExchangeOperator: bisection time: 1.421 s
total exchange = -52.4228406177 (a.u.)
total exchange computation time: 3.0010960102 s
-154.3644908249
-931.36087422
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0591569767
ExchangeOperator: pair fraction: ispin=0: 0.1461763115
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.4218086016 (a.u.)
total exchange computation time: 2.9983601570 s
-154.3735038886
Anderson extrapolation: theta=1.3396581180 (1.3396581180)
-931.36114518
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0591569767
ExchangeOperator: pair fraction: ispin=0: 0.1461763115
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.4203346059 (a.u.)
total exchange computation time: 2.9985990524 s
-154.3860015084
Anderson extrapolation: theta=0.0513642222 (0.0513642222)
-931.36130592
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0591569767
ExchangeOperator: pair fraction: ispin=0: 0.1461763115
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.4201885814 (a.u.)
total exchange computation time: 3.0008070469 s
-154.3870479462
Anderson extrapolation: theta=1.9662856169 (1.9662856169)
-931.36131216
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0591569767
ExchangeOperator: pair fraction: ispin=0: 0.1461763115
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.4198854689 (a.u.)
total exchange computation time: 2.9977669716 s
-154.3891813295
Anderson extrapolation: theta=0.2363673394 (0.2363673394)
-931.36131910
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0591569767
ExchangeOperator: pair fraction: ispin=0: 0.1461763115
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.4198142489 (a.u.)
total exchange computation time: 2.9981861115 s
-154.3896547916
Anderson extrapolation: theta=1.9132118720 (1.9132118720)
-931.36132061
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0591569767
ExchangeOperator: pair fraction: ispin=0: 0.1461763115
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.4197037042 (a.u.)
total exchange computation time: 2.9994552135 s
-154.3903577201
Anderson extrapolation: theta=0.2911346334 (0.2911346334)
-931.36132264
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0591569767
ExchangeOperator: pair fraction: ispin=0: 0.1461763115
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.4196974164 (a.u.)
total exchange computation time: 2.9978139400 s
-154.3903612312
Anderson extrapolation: theta=1.2830541957 (1.2830541957)
-931.36132319
-25.660962 28.123095 -212.476744
562.817800 1075.159116 -404.423357
537.156838 1103.282211 -616.900102
1373.439056
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0591569767
ExchangeOperator: pair fraction: ispin=0: 0.1461763115
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.4197089513 (a.u.)
total exchange computation time: 2.9983458519 s
679.51216798
-1085.51024812
89.81075061
-387.83737155
-174.91691366
79.22923350
551.60419304
0.00000000
-931.36132368
4.59959155 -30.83842431 -3.55956827
-0.00007688 -0.00017813 0.00005628
0.00470334 0.00771560 0.00950278
-11.95008507 2.06166265 -9.44570541
0.00045350 0.00000339 0.00021004
-0.03556515 0.00709068 0.00420625
-36.18751169 1.25582386 3.12694308
-0.00000778 0.00015213 0.00004323
-0.04008361 -0.01054207 0.00715284
-7.49252106 -3.59400341 2.55008727
0.00009004 0.00019825 0.00020488
-0.00646772 -0.00815169 -0.00850740
2.25338775 0.11090671 8.95854095
-0.00001676 0.00009075 0.00015398
0.00738389 -0.00638616 -0.03972441
-30.94752008 1.37500153 2.73060801
0.00002530 0.00022033 -0.00016586
-0.02927695 0.01506169 0.00218774
17.00168618 13.24548749 -17.89122316
-0.00015113 -0.00013132 -0.00050211
-0.08852818 0.01407352 -0.04514635
-3.43000983 5.23650682 5.55363330
0.00005049 -0.00021175 -0.00004890
-0.01204525 -0.00157943 0.02887328
5.84061707 17.19714730 -6.97413151
-0.00022878 -0.00039726 -0.00002430
-0.01122683 0.00400911 0.01962704
7.18173639 5.64514020 -20.96900266
0.00026508 0.00020157 0.00008144
0.02107924 0.01886736 -0.04638230
18.60733183 19.63451074 -5.08296325
-0.00001793 0.00013629 -0.00000162
0.01194251 -0.02882627 -0.04234661
1.92592792 13.91339816 -21.12493721
0.00018652 0.00016466 -0.00027432
0.01167069 -0.01406666 0.01487259
10.29119028 -5.36479485 0.31230213
0.00013708 0.00012668 0.00034438
0.03155697 -0.04607141 0.02372887
-18.33302312 -3.94982109 5.34354988
0.00038231 -0.00021958 -0.00005876
0.00992130 -0.01394366 0.01509547
-14.19128924 -1.42261623 20.54626448
-0.00026788 0.00020495 0.00005857
0.00663343 0.00499789 -0.00991138
1.60030492 3.67617585 -3.90515649
-0.00000629 0.00008031 -0.00019643
-0.00817988 0.03817986 0.02566994
21.29144684 -10.62097042 -4.44431867
-0.00012260 -0.00008078 0.00001051
-0.03714655 -0.00781677 0.04411977
3.05076885 -10.32567313 7.95056605
0.00004679 -0.00021018 -0.00012757
0.02910099 0.00648810 -0.02784251
-1.85467652 -1.84264017 -19.47867831
0.00002549 -0.00006015 -0.00023882
-0.00286437 0.01108978 -0.00450139
-0.21726585 3.51851865 -10.26339792
-0.00014709 0.00004977 -0.00062920
-0.00607648 0.01973353 0.01560315
-5.02291969 14.62334084 14.47397208
0.00000075 0.00001772 -0.00012122
0.00140614 0.00960287 0.03302032
-5.48077285 2.62089018 -7.36185207
0.00015165 0.00032020 0.00019808
-0.00882745 -0.00821577 0.01363118
-9.17953977 0.72621476 -4.15953220
-0.00003532 0.00019446 -0.00000842
0.00994180 -0.00484883 -0.01361061
2.94268280 27.50432918 5.86053738
-0.00020466 -0.00026141 -0.00027791
0.01206725 0.01610366 0.03393846
10.02381707 -10.66784011 -1.58051834
-0.00014297 -0.00037130 0.00022796
0.05160807 -0.00494395 -0.01952986
-6.78563766 1.00208316 9.21661723
0.00014180 -0.00013184 0.00007177
-0.00398761 -0.01303218 0.00020293
20.44164539 10.82903918 6.98598516
-0.00005998 0.00004785 0.00003776
-0.01095552 -0.00382519 -0.01485242
-3.10435296 1.09799088 -23.81648776
0.00003452 0.00007133 -0.00029631
0.07608771 -0.00452361 0.04378496
-13.88440531 8.78628404 8.52926165
0.00048864 0.00016980 0.00022820
-0.00358057 -0.02400363 0.01896735
-13.44721118 6.09086446 -3.29714352
-0.00022278 -0.00008542 -0.00006839
0.01736272 -0.01404239 0.00119491
-2.25756144 -15.35562017 20.59524545
-0.00016912 -0.00010270 -0.00013409
-0.03124193 -0.00529524 -0.00519608
-5.99397814 7.55063012 -8.16143059
0.00003701 0.00037774 0.00029950
-0.01863847 0.00951104 0.01177640
-19.79933804 30.44790553 1.06367440
0.00016961 -0.00022653 -0.00032609
0.00462804 0.02603488 0.01622103
9.87907998 3.78460982 7.94035490
-0.00007874 0.00004375 0.00008659
-0.01764753 0.00119102 -0.03350076
7.16918328 15.97593166 -11.73225200
0.00000071 0.00021161 0.00022980
0.00529061 -0.03112631 0.00712123
13.79771923 5.18395651 -1.18594673
-0.00027520 -0.00029820 -0.00009106
0.06588297 -0.04423440 0.01703598
-6.02356191 11.44736962 -2.19376352
-0.00023739 -0.00001134 0.00023547
0.03785809 0.00145329 0.03244627
7.93774533 12.74073033 5.18201213
-0.00015374 -0.00033941 0.00016927
-0.06003350 0.05789106 0.03464726
21.88033886 -12.06012367 -9.67643351
-0.00035437 0.00016649 0.00018199
0.04846218 0.02280182 -0.00207209
19.89635136 -5.97117799 -1.29627410
-0.00028788 0.00004728 0.00031170
0.01327531 0.00874192 0.00786237
14.65351675 7.99014414 8.70857446
0.00023470 0.00011191 0.00021627
0.01601926 -0.01126595 0.03276937
3.79755060 -13.80557741 16.37301862
0.00002894 0.00014537 0.00019045
-0.00045376 0.00614761 0.01061044
-2.54529641 -2.45678746 -13.72972409
0.00006312 0.00016625 0.00010862
-0.02463375 0.00820098 -0.01440944
15.52678582 -7.36802434 -13.15721877
-0.00002143 0.00001378 -0.00002995
-0.03603200 0.01994683 0.01063050
9.59264553 -3.63428655 6.72646315
0.00026443 -0.00025623 -0.00016431
0.06575896 0.01478233 0.00857096
-19.39964893 1.38268572 24.90148016
-0.00015290 0.00000277 0.00000394
-0.00861600 0.00909602 0.00109897
24.36360139 -1.27436209 -7.37159345
-0.00022672 0.00013511 -0.00012434
-0.01961713 0.02322000 -0.01668098
11.65733924 -10.45423334 -11.14973748
-0.00001511 -0.00017300 -0.00037528
-0.00258132 0.01074770 -0.02890085
-8.94936100 -10.83187430 16.46104710
0.00020972 0.00017957 0.00008443
-0.03843168 -0.01300919 -0.01468983
6.77996618 1.59201555 -27.85997282
0.00020784 -0.00003472 -0.00002435
-0.00123686 -0.00088779 -0.04237052
12.64476780 18.80955701 13.03556968
-0.00011700 -0.00018657 -0.00013926
-0.02429603 0.00161974 0.00348849
26.06937633 7.51550340 -11.08208739
-0.00010076 0.00010601 -0.00005147
0.01443890 -0.00373652 -0.00879749
5.28132121 -29.48472946 -4.63886222
-0.00021359 -0.00064928 -0.00032620
-0.00326621 -0.00440315 0.00144905
4.25800370 -30.02978441 -1.92268748
0.00009118 0.00108757 0.00001080
-0.00475881 -0.00959378 -0.00969163
-10.25510673 1.83703901 -9.00227003
-0.00044039 0.00083799 0.00016261
0.02711784 -0.00364495 0.00514060
-12.05480944 2.74880056 -11.14644578
0.00047227 -0.00017630 -0.00006080
0.00233039 -0.00120041 -0.00755838
-36.98531276 2.71737695 2.17001468
-0.00079079 0.00093927 0.00017207
0.01517169 -0.00216219 0.01381433
-37.71557246 0.35041772 3.83160223
0.00075537 0.00057429 0.00019865
0.02937605 0.01238593 -0.01498844
-8.78873652 -4.40890690 1.43866164
0.00009557 0.00042952 -0.00106050
0.01053145 0.00252164 0.01449099
-6.23460693 -4.83917655 3.05004794
0.00022178 0.00016773 -0.00036396
-0.01022595 0.00039631 -0.00401075
2.62978996 0.07337546 7.08598184
0.00070498 -0.00018352 -0.00024903
-0.00688896 -0.00633706 0.03593562
1.60613258 1.78583783 9.22176197
0.00031880 -0.00069397 0.00008769
-0.00419021 0.00838400 0.00733567
-30.34295767 -0.29987478 2.39046002
-0.00005748 0.00037832 0.00006810
0.01213017 -0.01449235 0.00237697
-32.80234087 1.07409201 2.94536943
-0.00088305 -0.00131142 -0.00031460
0.01701934 0.00761361 -0.00170342
15.37099985 12.22210889 -18.27387219
0.00048311 -0.00055725 -0.00026275
0.04601230 0.02361154 0.01114383
18.05194884 12.22449979 -16.93604120
0.00021349 0.00031112 -0.00018114
0.03911126 -0.03871374 0.02878874
-3.04536590 6.87412236 6.26456708
-0.00001203 0.00016198 0.00014288
0.00173959 0.00227342 0.00674426
-3.03006761 5.46761936 3.86058258
-0.00029276 -0.00066088 0.00014236
0.01152868 0.00148182 -0.03998721
5.79758429 16.44227472 -8.61051862
-0.00024594 0.00078879 0.00037129
0.00446871 -0.01079703 -0.02461321
7.36111853 18.16169049 -7.04488229
0.00053190 0.00084864 -0.00021322
0.01127165 0.00717412 0.00373249
7.62524140 5.71034849 -22.97775495
-0.00041546 -0.00184261 -0.00033268
-0.01381445 -0.01191950 0.04704560
8.62060207 6.73354635 -20.41054047
-0.00015029 0.00044152 0.00014337
-0.01639050 -0.01078592 0.00577844
19.18281890 21.03029908 -4.14115683
-0.00008540 -0.00044790 0.00016596
0.00682955 0.02933433 0.02803434
19.80499071 19.69673696 -6.50647742
-0.00079452 -0.00052534 -0.00112686
-0.01086148 -0.00550061 0.01147472
1.91701794 12.17420267 -20.49799386
-0.00159289 -0.00001911 0.00043101
0.00556081 0.00608695 -0.00723085
0.17424101 14.30778009 -21.30593722
-0.00004696 0.00013798 -0.00101312
-0.01064347 0.01019470 -0.00706408
10.81370099 -6.63506517 -0.91309388
-0.00072762 -0.00047382 0.00045713
-0.00740846 0.00044326 0.00440094
9.74894770 -3.96749992 -0.60468317
0.00040985 0.00001975 -0.00093620
-0.02276260 0.03812312 -0.02869522
-18.44652411 -4.93300570 6.89538685
0.00070940 -0.00081355 0.00027560
-0.00135273 0.00854927 0.00024022
-18.77350202 -5.23562171 4.14061548
0.00033053 -0.00027029 -0.00051617
-0.00625426 0.00029686 -0.01415184
-14.47169980 -0.16432214 19.21460805
0.00072649 -0.00072322 0.00061309
-0.00396055 -0.00524019 -0.00605189
-14.05710390 -0.42821364 22.05966724
0.00008400 0.00003568 0.00066416
-0.00316919 0.00228471 0.01284129
1.48163726 3.50428239 -2.06213981
-0.00089523 -0.00056358 -0.00042075
0.00701142 -0.01394221 -0.02015728
2.00819194 2.12784303 -4.69138271
0.00032272 0.00017365 -0.00061261
0.00367406 -0.02225421 -0.00336571
21.76963289 -10.60243998 -6.10406704
0.00108419 0.00014524 -0.00017033
0.01033160 0.00127674 -0.05665514
22.56694174 -9.74133306 -3.58998264
-0.00036750 -0.00069696 -0.00103198
0.02415015 0.01656308 0.01675488
4.72076022 -10.33887862 7.00078142
-0.00016169 0.00012760 -0.00050033
-0.03344355 -0.00440161 0.02519297
2.95037839 -11.79091450 9.05410388
0.00018860 0.00005239 -0.00039293
0.00882102 0.00075684 0.00139527
-1.97430038 -3.26401667 -20.63887333
-0.00011429 0.00077480 -0.00007369
-0.00485972 0.00031142 0.00193666
-3.46740650 -1.61823063 -18.64661462
-0.00060113 -0.00006271 0.00010251
0.00548065 -0.00891993 -0.00022459
0.57122119 5.15693179 -9.79327852
-0.00022414 0.00014570 0.00057623
-0.01383027 -0.02340943 -0.00901190
-1.87168506 3.45862922 -9.41589754
-0.00068775 0.00025539 0.00203178
0.01865749 0.00745288 -0.00685250
-3.61128457 14.91282680 15.66536580
0.00019911 0.00146120 0.00056035
-0.01282514 -0.00734037 -0.01882263
-6.46437035 14.65363531 15.67103105
-0.00041545 0.00082986 -0.00025233
0.01212011 -0.00264101 -0.02230186
-6.79698844 1.92101899 -6.21472843
-0.00005216 0.00044338 -0.00039344
0.01495266 -0.00286351 -0.01189721
-4.94469200 1.27112233 -8.46110680
0.00070995 -0.00013666 0.00031250
-0.00939878 0.00071587 0.00109745
-10.21960048 -0.50843998 -3.38053605
0.00000681 -0.00055137 0.00023034
-0.00998365 -0.01674403 -0.00012983
-9.28690606 2.09507195 -3.01104874
-0.00119151 -0.00010223 0.00127119
0.00319712 0.02736395 0.01461556
2.73916452 29.10272092 5.03251324
0.00118556 0.00024824 0.00018209
-0.00619254 0.00529738 -0.01028296
3.46151718 28.06868254 7.58150014
0.00018942 0.00031887 0.00093015
-0.00915673 -0.01606117 -0.01919114
8.34708204 -10.27559141 -1.28956871
-0.00011130 -0.00105856 0.00073717
-0.04164996 0.00995149 0.01216295
10.95976653 -11.16377112 -0.01761244
0.00040647 0.00048304 0.00050874
-0.02066314 0.00040737 -0.00734013
-5.24573013 -0.00697962 8.92243807
-0.00050676 0.00116012 -0.00003795
-0.01212255 0.00045931 -0.00183776
-8.18432021 -0.21824526 9.31116363
-0.00064515 0.00060829 -0.00026669
0.01509855 0.01077368 -0.00184846
20.50633692 11.04505348 8.76311751
-0.00051621 0.00015556 -0.00089057
-0.00346470 -0.00385954 0.02301437
22.10569202 11.44943069 6.56784101
-0.00144964 -0.00134118 -0.00041233
0.01275416 0.00099902 -0.00421610
-2.83392459 0.52616999 -22.00252870
0.00003568 -0.00147234 0.00100953
-0.00214021 0.00300333 -0.03418223
-4.78802678 1.04693673 -24.09153151
-0.00017224 0.00019745 -0.00028143
-0.07556493 0.00076931 -0.00913964
-12.70358040 9.48495650 9.74505195
-0.00023967 0.00022675 -0.00014235
0.00556747 0.00472900 0.00313672
-13.68366824 9.86910190 7.11687204
0.00061621 -0.00067853 -0.00065268
-0.00283168 0.01154930 -0.01598601
-13.89765114 5.08043349 -4.73929067
-0.00085376 -0.00037975 0.00021994
-0.00708818 -0.00956737 -0.00100495
-14.27188510 7.64226787 -3.52595249
0.00086025 0.00027826 -0.00062644
-0.01072891 0.03024479 -0.01014155
-4.06026497 -15.60652569 20.13361282
-0.00013967 -0.00007690 -0.00007767
0.02001276 0.00648852 0.01267892
-1.52160488 -16.59209320 19.48283123
-0.00025806 -0.00006362 0.00049619
0.00657669 -0.00445179 -0.00544132
-6.06776216 5.83827209 -7.50203116
0.00099318 0.00008726 0.00082507
0.00744700 -0.00426035 -0.01067095
-7.30461102 8.41662118 -7.13712613
-0.00071596 -0.00099136 0.00063954
0.01402220 0.00600912 -0.01204778
-21.18130947 29.73739801 0.15183737
0.00045855 -0.00094037 0.00116435
-0.00409807 -0.01122678 -0.00391283
-18.32685700 29.40615594 1.33461702
0.00051653 0.00032327 -0.00079010
0.00178208 -0.01147555 -0.01129250
9.23602725 2.78675473 6.38896544
0.00051637 -0.00073722 -0.00016842
0.00712397 0.02941871 0.03662235
9.10704024 5.54502658 8.02835035
-0.00034293 0.00049499 -0.00018439
0.01062669 -0.02749667 -0.01043780
8.25739586 17.32637333 -12.21232687
-0.00054079 0.00067999 -0.00041951
0.01060890 0.01325610 -0.00472619
8.34257390 14.51277503 -11.78646732
0.00104817 0.00052906 -0.00080611
-0.01628646 0.01369550 -0.00101899
12.26545646 5.95857240 -1.38347090
-0.00063154 -0.00005623 0.00065624
-0.05181238 0.02398244 0.00055957
13.89566109 4.21728896 0.43830646
-0.00027443 -0.00037446 -0.00028370
-0.01126134 0.01318342 -0.02195137
-4.20067131 11.16198453 -1.95036371
-0.00051412 0.00031888 0.00005979
-0.00787384 0.00156411 -0.01717260
-6.69404076 10.53644912 -0.77417073
-0.00111631 0.00107648 -0.00054579
-0.01102135 -0.00233886 0.00435779
7.26159242 14.33932321 4.45190022
0.00028995 -0.00046515 0.00063538
0.01419349 -0.02532696 0.01082931
8.98174953 12.03618332 4.00707252
-0.00014490 0.00050311 0.00032134
0.04328332 -0.02701274 -0.04891972
20.48892617 -12.86197481 -8.97553236
0.00040921 -0.00071800 0.00037495
-0.03666369 -0.02182151 0.02071232
23.36456714 -12.35939846 -8.55622284
-0.00059592 0.00019456 -0.00036848
-0.02252514 -0.00251000 -0.01670300
19.84390752 -4.90861992 -2.78862265
0.00071827 -0.00003142 0.00050638
0.00097261 0.00957251 -0.00424822
18.37821173 -6.89410575 -1.46587664
0.00032091 0.00031050 0.00055816
-0.01922613 -0.01392498 0.00361474
13.77595088 9.53834750 8.51840355
0.00056259 0.00020863 0.00033662
-0.00737884 0.00853448 -0.00004239
14.96557454 7.86768811 10.59236498
0.00026961 -0.00065145 -0.00022569
-0.00137749 0.00012728 -0.02532618
2.95689192 -15.15928261 17.35148360
-0.00019256 -0.00110270 -0.00022401
0.00586954 0.01033022 -0.00628524
3.91879834 -12.24086706 17.39945339
-0.00065192 0.00079511 -0.00102816
-0.00416788 -0.01728017 -0.00808776
-2.77657397 -3.89964911 -12.68787780
0.00000138 -0.00029418 0.00046221
0.00281997 -0.00679129 0.00950149
-1.26490752 -1.35608043 -13.09574499
-0.00021174 -0.00012943 -0.00044101
0.02134249 -0.00015611 0.00476933
16.13290126 -7.84242083 -14.78036235
0.00027797 0.00044861 -0.00011399
0.01187524 -0.00717365 -0.02182704
16.50636499 -8.04752971 -11.84126125
0.00023360 -0.00084877 -0.00099120
0.02028766 -0.01020066 0.01877595
7.89470920 -3.94539196 6.51360696
0.00038368 0.00045418 0.00021257
-0.04694858 -0.00850188 -0.02396201
10.60995196 -3.93361529 5.21228366
-0.00002110 -0.00063897 0.00004969
-0.01674053 -0.00036703 0.00988009
-21.19061710 1.00487372 25.09970027
0.00108964 -0.00025150 -0.00005651
0.01071976 -0.00484019 -0.00065246
-19.15726882 2.97715248 25.82762564
0.00042643 0.00016478 0.00014316
-0.00377475 -0.00856899 -0.00092757
25.34651245 -2.75747631 -7.31105698
-0.00035625 0.00048764 0.00016405
0.02227075 -0.02923458 0.01294509
24.14576536 -1.11361675 -9.19366984
-0.00171014 0.00018872 0.00042359
-0.00101016 0.01153556 0.00389585
11.65546590 -9.97118096 -9.42122593
-0.00020327 0.00033493 -0.00013550
0.01012888 0.00311760 0.01991604
12.81087063 -9.30603461 -12.10465955
0.00042173 -0.00057818 -0.00003759
-0.00763447 -0.00402028 0.01445919
-7.64561274 -10.58509299 17.69617278
0.00136145 0.00018721 0.00041790
0.02101017 0.00076524 0.00429001
-10.25852615 -11.38432197 17.66093177
0.00025619 0.00084042 0.00013671
-0.00245408 0.00951684 -0.01225046
7.92845073 2.07301076 -29.32783803
0.00020047 -0.00011653 -0.00003058
-0.00255043 -0.01294510 0.01807528
5.43689751 0.70369238 -28.84423259
0.00014538 -0.00003941 0.00091130
0.00860069 0.00992509 0.01897602
14.31523489 19.18471883 13.45276846
-0.00008242 0.00029787 -0.00011518
0.03196020 0.01254545 0.02362047
13.00905827 17.85978890 11.57668134
0.00065148 -0.00035997 -0.00085639
-0.00612903 -0.01925379 -0.02654855
27.80309023 7.67425430 -11.69838404
-0.00053589 -0.00011348 0.00043351
-0.00265705 0.00216301 -0.00437039
26.28562658 7.68953581 -9.27858070
-0.00067359 -0.00016729 0.00049472
-0.00187692 0.00021118 0.01077737
-7.93493544 4.66452435 6.08445130
0.00012990 0.00014100 0.00005238
0.00016584 -0.00829057 0.00385761
-10.48785621 9.19788709 2.90576084
0.00013554 -0.00006012 0.00009366
0.01435658 -0.00407185 0.01239992
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.07665325
0.28467044
379.30908281
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0591569767
ExchangeOperator: pair fraction: ispin=0: 0.1461763115
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.4203453840 (a.u.)
total exchange computation time: 2.9997291565 s
-154.3521472748
-931.35831819
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0591569767
ExchangeOperator: pair fraction: ispin=0: 0.1461763115
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.4192607442 (a.u.)
total exchange computation time: 2.9973678589 s
-154.3614565927
Anderson extrapolation: theta=1.3386674699 (1.3386674699)
-931.35859587
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0591569767
ExchangeOperator: pair fraction: ispin=0: 0.1461763115
ExchangeOperator: bisection time: 1.427 s
total exchange = -52.4177057579 (a.u.)
total exchange computation time: 2.9996299744 s
-154.3743814919
Anderson extrapolation: theta=0.0509247896 (0.0509247896)
-931.35875978
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0591569767
ExchangeOperator: pair fraction: ispin=0: 0.1461763115
ExchangeOperator: bisection time: 1.422 s
total exchange = -52.4175452971 (a.u.)
total exchange computation time: 2.9974370003 s
-154.3754882309
Anderson extrapolation: theta=1.9522333331 (1.9522333331)
-931.35876585
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0591569767
ExchangeOperator: pair fraction: ispin=0: 0.1461763115
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.4172070655 (a.u.)
total exchange computation time: 2.9983451366 s
-154.3777678292
Anderson extrapolation: theta=0.2323116083 (0.2323116083)
-931.35877221
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0591569767
ExchangeOperator: pair fraction: ispin=0: 0.1461763115
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.4171211617 (a.u.)
total exchange computation time: 2.9993610382 s
-154.3783054890
Anderson extrapolation: theta=1.8900646917 (1.8900646917)
-931.35877346
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0591569767
ExchangeOperator: pair fraction: ispin=0: 0.1461763115
ExchangeOperator: bisection time: 1.422 s
total exchange = -52.4169795915 (a.u.)
total exchange computation time: 2.9978148937 s
-154.3791468040
Anderson extrapolation: theta=0.2822703616 (0.2822703616)
-931.35877498
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0591569767
ExchangeOperator: pair fraction: ispin=0: 0.1461763115
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.4169618563 (a.u.)
total exchange computation time: 2.9987878799 s
-154.3792052972
Anderson extrapolation: theta=1.2641318401 (1.2641318401)
-931.35877535
-25.672293 28.132767 -212.426556
562.791756 1075.154857 -404.432384
537.119463 1103.287624 -616.858940
1373.410300
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0591569767
ExchangeOperator: pair fraction: ispin=0: 0.1461763115
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.4169573055 (a.u.)
total exchange computation time: 2.9976499081 s
679.47245184
-1085.42667625
89.81585923
-387.89363195
-174.90982119
79.18333104
551.60419304
0.00000000
-931.35877563
4.59845656 -30.84106647 -3.55868739
-0.00007471 -0.00017387 0.00006197
0.00371706 0.00884493 0.01261436
-11.94341980 2.06174082 -9.44253855
0.00043306 0.00000740 0.00021119
-0.04390801 0.00852126 0.00026243
-36.18778307 1.25806519 3.12761919
-0.00002790 0.00014800 0.00004602
-0.03813260 -0.00551590 0.00366397
-7.49119537 -3.59106115 2.55312772
0.00008608 0.00019382 0.00019992
-0.00895436 -0.00907101 -0.01080524
2.25316482 0.11224334 8.96069749
-0.00001212 0.00008575 0.00013268
0.01066074 -0.01304239 -0.04313362
-30.94725345 1.37836462 2.72812856
0.00000848 0.00022783 -0.00016451
-0.03616582 0.01408713 0.00305048
16.99907779 13.24357194 -17.89892891
-0.00019567 -0.00012436 -0.00052480
-0.08467240 0.01301555 -0.04308654
-3.42929893 5.23332441 5.55301118
0.00004428 -0.00021199 -0.00003309
-0.01209206 0.00068015 0.03261177
5.83714212 17.19120381 -6.97442028
-0.00023213 -0.00039286 -0.00001276
-0.00183123 0.01313411 0.02523991
7.18579382 5.64823654 -20.96795999
0.00027532 0.00021057 0.00005758
0.01875943 0.01613176 -0.04638102
18.60710901 19.63644389 -5.08315091
-0.00001194 0.00012066 -0.00002424
0.01135103 -0.03196193 -0.04561352
1.92877077 13.91581382 -21.12899471
0.00019156 0.00015678 -0.00026635
0.00790298 -0.01659427 0.01612414
10.29336827 -5.36307229 0.31755943
0.00015287 0.00010419 0.00035559
0.02981233 -0.04140035 0.01985021
-18.32725018 -3.95316864 5.34272676
0.00038718 -0.00022773 -0.00005062
0.00901174 -0.01772791 0.01655001
-14.19528187 -1.41952275 20.54710482
-0.00026401 0.00020642 0.00005574
0.00843450 0.00074001 -0.00111356
1.60017908 3.67752778 -3.90800395
-0.00001034 0.00009947 -0.00018375
-0.00756931 0.03631343 0.02365850
21.28946455 -10.62221222 -4.44399088
-0.00014263 -0.00008573 0.00003023
-0.04072486 -0.01144641 0.03256935
3.05158296 -10.32880083 7.94854507
0.00006162 -0.00020626 -0.00014232
0.02856218 0.00875544 -0.02949388
-1.85430521 -1.84349968 -19.48227799
0.00002287 -0.00005311 -0.00023970
-0.00733845 0.01629435 0.00109137
-0.21949567 3.51934131 -10.27277568
-0.00015260 0.00006043 -0.00061940
-0.01534020 0.02171293 0.02248009
-5.02290301 14.62364362 14.47228121
0.00000219 0.00002302 -0.00010326
0.00418600 0.01102948 0.03680105
-5.47853214 2.62566150 -7.35882822
0.00014772 0.00031546 0.00020424
-0.00644990 -0.01020902 0.01029733
-9.18003122 0.72911291 -4.15971095
-0.00003122 0.00019216 -0.00001369
0.00600830 -0.00409776 -0.00687764
2.93965949 27.50047018 5.85649957
-0.00019787 -0.00025221 -0.00025865
0.01431763 0.01967421 0.04098305
10.02187152 -10.67342872 -1.57717422
-0.00011629 -0.00037376 0.00021825
0.05214331 -0.00459269 -0.01825245
-6.78352602 1.00005523 9.21769462
0.00013782 -0.00013713 0.00007221
-0.01148587 -0.00752076 0.00149741
20.44070347 10.82974212 6.98649428
-0.00006859 0.00004458 0.00002892
-0.02252908 -0.00886064 -0.01954211
-3.10354168 1.09904333 -23.82076349
0.00007291 0.00006822 -0.00027210
0.07320855 -0.00754417 0.05034848
-13.87708958 8.78873840 8.53275783
0.00048587 0.00015715 0.00023658
-0.00718894 -0.02515735 0.01361614
-13.45048585 6.08952901 -3.29816481
-0.00021400 -0.00009305 -0.00006785
0.01678004 -0.01562707 0.00090778
-2.26021872 -15.35718110 20.59321405
-0.00018540 -0.00010481 -0.00013620
-0.03206888 -0.00292588 -0.00299000
-5.99349483 7.55633289 -8.15689260
0.00002729 0.00038172 0.00030603
-0.01917328 0.00595688 0.01358043
-19.79677611 30.44460797 1.05884559
0.00017293 -0.00021254 -0.00031712
0.00829773 0.02836338 0.01866556
9.87783075 3.78527062 7.94152458
-0.00008801 0.00004453 0.00006917
-0.01839291 0.00183862 -0.03425846
7.16921430 15.97898570 -11.72877753
0.00000427 0.00019558 0.00023314
0.00856902 -0.03119279 0.00586333
13.79384536 5.17931282 -1.18724693
-0.00024264 -0.00032022 -0.00008270
0.06072226 -0.04137336 0.01546516
-6.02697667 11.44720509 -2.19010638
-0.00021795 -0.00000952 0.00025067
0.03772839 0.00563330 0.02666185
7.93520769 12.73586250 5.18468478
-0.00018474 -0.00031004 0.00018777
-0.06050590 0.05630624 0.03730345
21.87521018 -12.05753833 -9.67371173
-0.00033019 0.00017836 0.00018047
0.04557391 0.02336370 -0.00382244
19.89208435 -5.97043508 -1.29156821
-0.00027970 0.00005232 0.00031626
0.01852428 0.01087306 0.00985033
14.65709899 7.99177931 8.71194487
0.00024295 0.00010590 0.00023243
0.01609359 -0.01210540 0.03008468
3.79798292 -13.80337311 16.37591627
0.00002823 0.00014728 0.00019577
-0.00229612 0.00127350 0.01009193
-2.54444464 -2.45426213 -13.72815041
0.00004946 0.00016864 0.00010153
-0.02849585 0.00110427 -0.01315005
15.52632545 -7.36774064 -13.15762705
-0.00003985 0.00002400 -0.00002507
-0.03560923 0.01977012 0.00834279
9.59686556 -3.63807299 6.72403157
0.00029838 -0.00024853 -0.00015939
0.06628890 0.01515431 0.01054115
-19.40197562 1.38276232 24.90154348
-0.00015489 0.00000819 0.00000440
0.00086412 0.01198139 0.00070618
24.36012499 -1.27224584 -7.37352292
-0.00023716 0.00014759 -0.00013210
-0.02101678 0.02530142 -0.01350592
11.65710260 -10.45678691 -11.15547814
-0.00001649 -0.00016730 -0.00038906
-0.00279075 0.01141058 -0.02470642
-8.94636340 -10.82923086 16.46225682
0.00019160 0.00017335 0.00007787
-0.03205534 -0.01119326 -0.01079536
6.78307900 1.59149134 -27.86050153
0.00020769 -0.00003486 -0.00004558
0.00067173 0.00032488 -0.04019729
12.64291913 18.80676470 13.03349429
-0.00012863 -0.00018673 -0.00013901
-0.02093560 -0.00224895 -0.00252486
26.06792058 7.51707913 -11.08289332
-0.00009428 0.00010405 -0.00005485
0.01078192 -0.00389859 -0.00434417
5.27801730 -29.49460354 -4.64371087
-0.00022574 -0.00066578 -0.00032197
-0.00267983 -0.00367378 0.00062177
4.25922554 -30.01376491 -1.92282243
0.00007255 0.00104424 -0.00003390
-0.00435960 -0.01161689 -0.01219033
-10.26088157 1.84949721 -8.99967333
-0.00031211 0.00082105 0.00018877
0.03567618 -0.00464962 0.00766601
-12.04765394 2.74611923 -11.14758941
0.00048122 -0.00018184 -0.00008910
0.00204843 -0.00151111 -0.00629394
-36.99670971 2.73139975 2.17301902
-0.00072427 0.00092559 0.00023179
0.01738890 -0.00453274 0.01542006
-37.70334167 0.35941168 3.83412271
0.00086759 0.00061952 0.00014100
0.02555432 0.00975399 -0.01323293
-8.78698024 -4.40238688 1.42319819
0.00014299 0.00044221 -0.00099647
0.01267855 0.00369084 0.01685269
-6.23159356 -4.83664843 3.04446562
0.00018042 0.00016849 -0.00038020
-0.01001903 -0.00002291 -0.00393821
2.64015350 0.07042845 7.08334757
0.00067493 -0.00020856 -0.00009677
-0.00782104 -0.00591724 0.03859442
1.61078614 1.77568514 9.22330207
0.00029710 -0.00064702 0.00011872
-0.00643015 0.01459974 0.00785368
-30.34344818 -0.29464414 2.39155432
-0.00000530 0.00031671 0.00007707
0.01341345 -0.01566409 0.00201575
-32.81506505 1.05465408 2.94059816
-0.00080226 -0.00127565 -0.00032234
0.02252681 0.00989209 -0.00208213
15.37965647 12.21447361 -18.27747198
0.00066688 -0.00046236 -0.00021811
0.04394449 0.02283738 0.01070774
18.05634971 12.22798033 -16.93787616
0.00036995 0.00015677 -0.00006670
0.03747564 -0.03684099 0.02723213
-3.04549304 6.87662173 6.26691696
-0.00000603 0.00016542 0.00016693
0.00119564 -0.00059139 0.00502860
-3.03410572 5.45775158 3.86149261
-0.00024450 -0.00065371 -0.00002519
0.01209431 0.00202601 -0.04202764
5.79403206 16.45377578 -8.60570356
-0.00022824 0.00073865 0.00025856
0.00419913 -0.01374803 -0.03056746
7.36944247 18.17463988 -7.04796625
0.00055912 0.00086567 -0.00019705
0.00205305 0.00116468 0.00418462
7.61858616 5.68234409 -22.98130357
-0.00046941 -0.00188589 -0.00014006
-0.01259195 -0.00926483 0.04724669
8.61784539 6.73983865 -20.40821280
-0.00021496 0.00039843 0.00016539
-0.01526455 -0.01030831 0.00500042
19.18174720 21.02447950 -4.13780839
-0.00005421 -0.00032341 0.00028176
0.00843913 0.03160274 0.02865367
19.79274005 19.68868836 -6.52302872
-0.00084109 -0.00054594 -0.00107449
-0.01193365 -0.00458376 0.01415928
1.89329502 12.17410262 -20.49175027
-0.00156736 0.00001075 0.00039928
0.00693702 0.00852687 -0.00830134
0.17321043 14.31016225 -21.32135050
-0.00008537 0.00018044 -0.00104223
-0.00815897 0.01058702 -0.00718475
10.80255969 -6.64215882 -0.90610211
-0.00075757 -0.00047223 0.00047621
-0.00725144 0.00033520 0.00493981
9.75439792 -3.96603540 -0.61960542
0.00032004 0.00016659 -0.00104671
-0.02120102 0.03375187 -0.02540348
-18.43592449 -4.94494693 6.89952820
0.00070410 -0.00077472 0.00026915
-0.00124435 0.01045570 -0.00339678
-18.76873569 -5.23966694 4.13243920
0.00030636 -0.00026522 -0.00056935
-0.00557860 0.00218364 -0.01187755
-14.46092376 -0.17533108 19.22361899
0.00070777 -0.00073297 0.00057766
-0.00520657 0.00047156 -0.01129463
-14.05594107 -0.42760844 22.07002314
0.00007020 0.00004167 0.00071010
-0.00358597 0.00064716 0.00964671
1.46842372 3.49540151 -2.06906867
-0.00086655 -0.00062027 -0.00050097
0.00702685 -0.01381202 -0.01911370
2.01314535 2.12976578 -4.70067503
0.00033658 0.00008636 -0.00062473
0.00310778 -0.02047432 -0.00256393
21.78621231 -10.60022222 -6.10835801
0.00112068 0.00014925 -0.00038946
0.00753135 0.00068542 -0.05061476
22.56216925 -9.75127988 -3.60494896
-0.00025612 -0.00062050 -0.00095185
0.03037013 0.02086271 0.02247305
4.71731012 -10.33709949 6.99404854
-0.00029729 0.00010893 -0.00039705
-0.03293777 -0.00474008 0.02535908
2.95347775 -11.79010541 9.04825269
0.00022472 0.00005138 -0.00038412
0.00885986 -0.00125050 0.00291562
-1.97616360 -3.25238512 -20.63991927
-0.00013471 0.00076677 -0.00007266
-0.00513649 -0.00424425 -0.00143566
-3.47625546 -1.61944455 -18.64508388
-0.00056927 -0.00010028 0.00009693
0.01011260 -0.00947463 -0.00250540
0.56743523 5.15839996 -9.78491119
-0.00028051 0.00004692 0.00053721
-0.01375903 -0.02494431 -0.01008706
-1.88142953 3.46268852 -9.38563081
-0.00059310 0.00028484 0.00199241
0.02767306 0.00696190 -0.01242089
-3.60869093 14.93451986 15.67319432
0.00013895 0.00142885 0.00047712
-0.01662326 -0.00849271 -0.02192266
-6.47023066 14.66600234 15.66656268
-0.00036385 0.00081847 -0.00034474
0.01313700 -0.00293493 -0.02293407
-6.79731260 1.92758201 -6.22099457
0.00000630 0.00043051 -0.00043889
0.01366238 -0.00343841 -0.01035382
-4.93433083 1.26909433 -8.45638569
0.00066947 -0.00012867 0.00032097
-0.01041305 0.00319713 0.00304853
-10.21980426 -0.51722363 -3.37708499
-0.00002729 -0.00061314 0.00022416
-0.00670638 -0.01349033 -0.00289115
-9.30468068 2.09437703 -2.99153302
-0.00117665 0.00000120 0.00132213
0.00407453 0.02326422 0.01031971
2.75675811 29.10660690 5.03492941
0.00116037 0.00026821 0.00013977
-0.00613873 0.00447677 -0.01043147
3.46407792 28.07297346 7.59486428
0.00014745 0.00024765 0.00083791
-0.01138672 -0.01880396 -0.02595962
8.34413628 -10.29116481 -1.27813846
-0.00028155 -0.00101825 0.00078682
-0.04169047 0.00978123 0.01214274
10.96523046 -11.15651300 -0.01020625
0.00032073 0.00048458 0.00047614
-0.02130712 0.00034596 -0.00861816
-5.25370303 0.01043623 8.92181250
-0.00054395 0.00115167 -0.00004785
-0.00608280 -0.00459369 -0.00300606
-8.19353476 -0.20879075 9.30710667
-0.00058084 0.00065162 -0.00027432
0.01637817 0.01043560 -0.00188816
20.49848765 11.04726861 8.75046417
-0.00052947 0.00014194 -0.00078118
-0.00302883 -0.00280710 0.03053525
22.08433827 11.42934355 6.56152685
-0.00137500 -0.00132860 -0.00043536
0.02377994 0.00515996 -0.00705637
-2.83345504 0.50417686 -21.98843315
0.00002493 -0.00145460 0.00085537
-0.00311994 0.00568026 -0.04128214
-4.79292596 1.04992209 -24.09603300
-0.00047258 0.00020098 -0.00031719
-0.07145072 0.00095628 -0.00836679
-12.70700491 9.48850269 9.74301280
-0.00021032 0.00025017 -0.00012342
0.00880072 0.00673310 0.00612813
-13.67451191 9.85927789 7.10659194
0.00060469 -0.00063412 -0.00071360
-0.00280517 0.01018743 -0.01383117
-13.91067470 5.07444403 -4.73602230
-0.00088209 -0.00041772 0.00021686
-0.00678155 -0.00901673 -0.00050547
-14.25931009 7.64736855 -3.53565992
0.00081625 0.00040234 -0.00066722
-0.01081093 0.03049193 -0.00982059
-4.06174679 -15.60748038 20.13283632
-0.00005900 -0.00005066 -0.00002620
0.01947595 0.00635583 0.01251390
-1.52527432 -16.59318395 19.49010727
-0.00022873 -0.00008616 0.00046992
0.00778036 -0.00658043 -0.00741408
-6.05263628 5.83945048 -7.48998202
0.00102419 0.00007538 0.00077849
0.00773355 -0.00155513 -0.01213070
-7.31492069 8.40193492 -7.12790220
-0.00065796 -0.00096518 0.00058932
0.01436727 0.00680852 -0.01253604
-21.17455686 29.72294842 0.16918272
0.00043323 -0.00099048 0.00114268
-0.00829576 -0.01330338 -0.00669650
-18.31905439 29.41065332 1.32241949
0.00052467 0.00027584 -0.00083528
0.00220107 -0.01174117 -0.01082392
9.24399114 2.77659791 6.38756142
0.00054552 -0.00061428 -0.00001670
0.00714570 0.03076124 0.03764426
9.10222190 5.55160886 8.02526461
-0.00029781 0.00037879 -0.00022700
0.01145935 -0.02938343 -0.01041918
8.24960909 17.33697932 -12.21876435
-0.00050019 0.00073119 -0.00043736
0.00926755 0.01181038 -0.00401288
8.35779742 14.52113057 -11.79859018
0.00097786 0.00058818 -0.00080923
-0.01813020 0.01524413 -0.00051110
12.25439574 5.95846389 -1.37361013
-0.00083368 0.00003752 0.00065952
-0.04713696 0.02190900 0.00104637
13.89119958 4.21207612 0.43337827
-0.00031948 -0.00032187 -0.00037088
-0.01079328 0.01255579 -0.02072039
-4.20862445 11.16681569 -1.94999311
-0.00054210 0.00032345 -0.00000834
-0.00581877 0.00067377 -0.01617880
-6.71112309 10.55252468 -0.78222398
-0.00116469 0.00106003 -0.00051762
-0.01266213 -0.00571468 0.00943074
7.26637654 14.33156981 4.46176281
0.00034477 -0.00056249 0.00067750
0.01264248 -0.02231855 0.00978768
8.98090241 12.04290221 4.01039360
0.00003608 0.00039038 0.00011777
0.04530809 -0.02816761 -0.05073027
20.49394087 -12.87341356 -8.96927349
0.00025880 -0.00080722 0.00045906
-0.03696530 -0.02184748 0.02046319
23.35493809 -12.35655696 -8.56226192
-0.00068121 0.00018351 -0.00043316
-0.01922268 -0.00290147 -0.01495514
19.85471134 -4.90879792 -2.78115711
0.00072111 0.00000825 0.00048672
0.00041641 0.00984710 -0.00537699
18.38243626 -6.88987499 -1.45739349
0.00023271 0.00024857 0.00057085
-0.02394871 -0.01638955 0.00259528
13.78416357 9.54173848 8.52345148
0.00053194 0.00024415 0.00033705
-0.00762070 0.00885465 0.00025723
14.96957651 7.85792022 10.58820352
0.00026424 -0.00064996 -0.00032435
-0.00125351 0.00060179 -0.02296502
2.95418336 -15.17550654 17.34793092
-0.00016447 -0.00105151 -0.00025244
0.00788123 0.01472668 -0.00763509
3.90889181 -12.22947000 17.38378319
-0.00066919 0.00072462 -0.00105719
-0.00428743 -0.01722321 -0.00612345
-2.77646681 -3.90426991 -12.68065349
0.00001453 -0.00031302 0.00049482
0.00361677 -0.00242884 0.00645916
-1.26742963 -1.35802667 -13.10221394
-0.00011817 -0.00012483 -0.00041804
0.02445949 0.00240678 0.00647198
16.13743476 -7.83591158 -14.78274104
0.00032440 0.00042055 -0.00020209
0.01084891 -0.00656113 -0.02129934
16.51049065 -8.06057381 -11.85555394
0.00031777 -0.00089136 -0.00091125
0.02091335 -0.01064973 0.02036414
7.89902581 -3.93883982 6.51606123
0.00018824 0.00041923 0.00011405
-0.04872014 -0.00860723 -0.02426537
10.60912243 -3.94321102 5.21333177
-0.00008706 -0.00064106 0.00008624
-0.01554424 -0.00065756 0.00800982
-21.17394398 1.00095296 25.09883265
0.00111584 -0.00027389 -0.00005681
0.00210216 -0.00612254 0.00050327
-19.15098811 2.97936158 25.82974457
0.00040915 0.00012668 0.00013780
-0.00467998 -0.01008218 -0.00169373
25.34185113 -2.75105759 -7.30819957
-0.00026291 0.00036447 0.00021551
0.02341963 -0.03105444 0.01224626
24.12008238 -1.11043248 -9.18719666
-0.00171337 0.00023519 0.00043466
-0.00057428 0.01121096 0.00152501
11.65272718 -9.96606147 -9.42264815
-0.00016201 0.00034544 -0.00006076
0.01006714 0.00202741 0.01667097
12.81696260 -9.31483047 -12.10478034
0.00039118 -0.00059314 0.00002011
-0.00732083 -0.00330410 0.01378361
-7.62454714 -10.58226134 17.70257270
0.00143465 0.00018745 0.00042487
0.01482032 -0.00065123 -0.00087588
-10.25475846 -11.37142406 17.66260704
0.00024507 0.00087839 0.00008876
-0.00298905 0.00907107 -0.01122386
7.93137962 2.07086615 -29.32774280
0.00018962 -0.00016953 0.00004238
-0.00275868 -0.01300002 0.01763610
5.43934174 0.70340531 -28.82998163
0.00017718 -0.00000102 0.00098455
0.00696685 0.00887026 0.01688176
14.31497796 19.18957130 13.45176459
0.00004391 0.00034836 -0.00001998
0.02987705 0.01216972 0.02298072
13.01864262 17.85379936 11.56302193
0.00062371 -0.00042994 -0.00095132
-0.00746110 -0.01499619 -0.01991963
27.79497051 7.67261843 -11.69201532
-0.00053868 -0.00010386 0.00041371
0.00128932 0.00254437 -0.00532035
26.27546525 7.68703289 -9.27082958
-0.00068145 -0.00016678 0.00053199
-0.00197156 0.00003897 0.00746311
-7.93298656 4.66661708 6.08524734
0.00012993 0.00013804 0.00005375
0.00003740 -0.00822813 0.00381663
-10.48579807 9.19697815 2.90718737
0.00013887 -0.00006106 0.00009656
0.01430393 -0.00402319 0.01254304
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.07663174
0.28214389
375.94258710
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0592296512
ExchangeOperator: pair fraction: ispin=0: 0.1465657112
ExchangeOperator: bisection time: 1.421 s
total exchange = -52.4153949943 (a.u.)
total exchange computation time: 2.8682208061 s
-154.3330391492
-931.35706735
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0592296512
ExchangeOperator: pair fraction: ispin=0: 0.1465657112
ExchangeOperator: bisection time: 1.422 s
total exchange = -52.4143215974 (a.u.)
total exchange computation time: 2.8676280975 s
-154.3422446587
Anderson extrapolation: theta=1.3358271582 (1.3358271582)
-931.35734491
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0592296512
ExchangeOperator: pair fraction: ispin=0: 0.1465657112
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.4127892389 (a.u.)
total exchange computation time: 2.8681299686 s
-154.3550061385
Anderson extrapolation: theta=0.0497080641 (0.0497080641)
-931.35750813
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0592296512
ExchangeOperator: pair fraction: ispin=0: 0.1465657112
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.4126349426 (a.u.)
total exchange computation time: 2.8669779301 s
-154.3560937111
Anderson extrapolation: theta=1.9140909194 (1.9140909194)
-931.35751398
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0592296512
ExchangeOperator: pair fraction: ispin=0: 0.1465657112
ExchangeOperator: bisection time: 1.422 s
total exchange = -52.4123146724 (a.u.)
total exchange computation time: 2.8691759109 s
-154.3583060964
Anderson extrapolation: theta=0.2270550322 (0.2270550322)
-931.35751998
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0592296512
ExchangeOperator: pair fraction: ispin=0: 0.1465657112
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.4122340271 (a.u.)
total exchange computation time: 2.8654990196 s
-154.3588279479
Anderson extrapolation: theta=1.9159941051 (1.9159941051)
-931.35752115
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0592296512
ExchangeOperator: pair fraction: ispin=0: 0.1465657112
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.4120993795 (a.u.)
total exchange computation time: 2.8686709404 s
-154.3596594374
Anderson extrapolation: theta=0.2877014556 (0.2877014556)
-931.35752264
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0592296512
ExchangeOperator: pair fraction: ispin=0: 0.1465657112
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.4120822446 (a.u.)
total exchange computation time: 2.8679130077 s
-154.3597226362
Anderson extrapolation: theta=1.2771161254 (1.2771161254)
-931.35752303
-25.679091 -16.235360 -212.374223
562.765799 1075.149832 -404.444177
537.086708 1058.914472 -616.818400
1337.993621
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0592296512
ExchangeOperator: pair fraction: ispin=0: 0.1465657112
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.4120780990 (a.u.)
total exchange computation time: 2.8663220406 s
679.39849875
-1085.26886964
89.82271283
-388.00082956
-174.89695760
79.09636900
551.60419304
0.00000000
-931.35752333
4.59735024 -30.84364039 -3.55770919
-0.00007304 -0.00016910 0.00006917
0.00277144 0.00971632 0.01538292
-11.93709326 2.06188474 -9.43936966
0.00040868 0.00001209 0.00021037
-0.05088769 0.00970742 -0.00347274
-36.18834863 1.26026396 3.12832356
-0.00004673 0.00014650 0.00004695
-0.03511356 -0.00034204 -0.00002697
-7.48993876 -3.58818886 2.55608480
0.00008090 0.00018901 0.00019383
-0.01116156 -0.00962841 -0.01287512
2.25302413 0.11347935 8.96252127
-0.00000589 0.00007743 0.00010990
0.01357997 -0.01932937 -0.04544864
-30.94726583 1.38183639 2.72567263
-0.00001160 0.00023468 -0.00016278
-0.04190066 0.01255311 0.00367106
16.99581617 13.24175681 -17.90696705
-0.00023756 -0.00011816 -0.00054598
-0.07821761 0.01106234 -0.03929564
-3.42868132 5.23014725 5.55264065
0.00003816 -0.00021102 -0.00001584
-0.01172523 0.00307270 0.03446242
5.83365304 17.18536165 -6.97451434
-0.00023085 -0.00038397 0.00000143
0.00683638 0.02142661 0.02993785
7.18999599 5.65145734 -20.96727513
0.00028426 0.00021809 0.00003383
0.01602283 0.01312023 -0.04600639
18.60697377 19.63813046 -5.08369045
-0.00000622 0.00010375 -0.00004819
0.01088753 -0.03377331 -0.04750723
1.93167459 13.91810146 -21.13292781
0.00019455 0.00014769 -0.00025778
0.00374894 -0.01872730 0.01722273
10.29577624 -5.36166912 0.32296986
0.00016759 0.00008448 0.00036457
0.02746463 -0.03523387 0.01505320
-18.32140772 -3.95665294 5.34203132
0.00039158 -0.00023778 -0.00004186
0.00810497 -0.02136072 0.01749632
-14.19920944 -1.41642355 20.54793656
-0.00025922 0.00020567 0.00005752
0.01017581 -0.00366489 0.00805245
1.59999485 3.67915986 -3.91066888
-0.00001400 0.00011746 -0.00017233
-0.00666809 0.03365282 0.02073167
21.28716807 -10.62354232 -4.44341182
-0.00016406 -0.00009236 0.00004371
-0.04262018 -0.01435088 0.01985947
3.05261741 -10.33186099 7.94629655
0.00007595 -0.00020122 -0.00015775
0.02714865 0.01086838 -0.03050751
-1.85399052 -1.84423348 -19.48586925
0.00001807 -0.00004343 -0.00023776
-0.01133314 0.02136015 0.00645875
-0.22184383 3.52033148 -10.28198001
-0.00016257 0.00007196 -0.00060623
-0.02341966 0.02311440 0.02874870
-5.02285404 14.62403149 14.47087424
0.00000499 0.00002904 -0.00008364
0.00670161 0.01235692 0.03950115
-5.47634120 2.63035406 -7.35572493
0.00014508 0.00030978 0.00020866
-0.00383528 -0.01189723 0.00688703
-9.18047631 0.73197945 -4.15994275
-0.00002919 0.00019030 -0.00001535
0.00187994 -0.00312325 0.00039977
2.93674663 27.49676295 5.85277793
-0.00019004 -0.00024119 -0.00023615
0.01615312 0.02318359 0.04650373
10.02032824 -10.67905276 -1.57397090
-0.00008994 -0.00037587 0.00020922
0.05032183 -0.00365023 -0.01686797
-6.78150298 0.99796928 9.21878356
0.00012995 -0.00013944 0.00007335
-0.01913656 -0.00144765 0.00291586
20.43958774 10.83037670 6.98685264
-0.00008318 0.00003878 0.00001791
-0.03421385 -0.01369711 -0.02323836
-3.10216563 1.10003758 -23.82465079
0.00010882 0.00006364 -0.00024508
0.06643361 -0.01029558 0.05472060
-13.86982931 8.79099868 8.53635905
0.00048130 0.00014403 0.00024208
-0.01056041 -0.02587137 0.00776316
-13.45363106 6.08807300 -3.29917909
-0.00020569 -0.00010120 -0.00006756
0.01551579 -0.01608513 0.00021460
-2.26312339 -15.35876461 20.59115958
-0.00020188 -0.00010575 -0.00013718
-0.03202169 -0.00071759 -0.00084405
-5.99315945 7.56208161 -8.15224984
0.00001739 0.00038386 0.00031340
-0.01932485 0.00238091 0.01511770
-19.79415016 30.44152923 1.05416078
0.00017808 -0.00019746 -0.00030699
0.01171979 0.03029654 0.02074273
9.87643962 3.78594560 7.94242996
-0.00009753 0.00004561 0.00005152
-0.01860447 0.00236741 -0.03438546
7.16931142 15.98179909 -11.72525782
0.00000951 0.00017978 0.00023579
0.01178759 -0.03024354 0.00443164
13.79043993 5.17434995 -1.18842781
-0.00021333 -0.00034038 -0.00007536
0.05325997 -0.03703305 0.01309532
-6.03010038 11.44708402 -2.18624354
-0.00019869 -0.00000558 0.00026289
0.03715244 0.00968758 0.02087441
7.93220328 12.73142906 5.18764522
-0.00021528 -0.00028213 0.00020706
-0.05827174 0.05224464 0.03769258
21.87043309 -12.05477275 -9.67101943
-0.00030814 0.00019028 0.00017816
0.04016444 0.02295396 -0.00514320
19.88796025 -5.96960828 -1.28678633
-0.00026904 0.00005838 0.00032176
0.02293672 0.01267737 0.01153374
14.66080539 7.99332109 8.71554737
0.00025116 0.00009959 0.00024703
0.01580656 -0.01242879 0.02667623
3.79839753 -13.80115898 16.37889178
0.00002665 0.00014669 0.00020070
-0.00385617 -0.00356424 0.00907918
-2.54381272 -2.45172829 -13.72667818
0.00003394 0.00016750 0.00009518
-0.03184007 -0.00554853 -0.01156297
15.52559037 -7.36730442 -13.15797096
-0.00005777 0.00003393 -0.00002132
-0.03410030 0.01885006 0.00625415
9.60159699 -3.64174252 6.72168131
0.00033185 -0.00024074 -0.00015343
0.06384797 0.01516039 0.01265387
-19.40429565 1.38293137 24.90161226
-0.00015188 0.00001508 0.00000460
0.01085130 0.01481204 0.00006923
24.35648646 -1.26993440 -7.37555657
-0.00024810 0.00016082 -0.00013820
-0.02151146 0.02616192 -0.01018072
11.65684442 -10.45925246 -11.16140940
-0.00001804 -0.00016127 -0.00040050
-0.00323167 0.01205392 -0.01974653
-8.94361310 -10.82667377 16.46338326
0.00017680 0.00016808 0.00007322
-0.02550147 -0.00931903 -0.00727810
6.78619700 1.59096963 -27.86134036
0.00020857 -0.00003435 -0.00006553
0.00275218 0.00166814 -0.03734989
12.64090896 18.80395505 13.03139943
-0.00013817 -0.00018883 -0.00014183
-0.01615296 -0.00591347 -0.00844817
26.06654800 7.51862479 -11.08373277
-0.00008972 0.00010200 -0.00005589
0.00695874 -0.00405828 0.00027520
5.27454915 -29.50470278 -4.64852141
-0.00023541 -0.00067913 -0.00032122
-0.00205723 -0.00286341 -0.00025089
4.26018018 -29.99845736 -1.92370448
0.00005542 0.00099305 -0.00008797
-0.00402528 -0.01343906 -0.01427658
-10.26446995 1.86167045 -8.99660682
-0.00015164 0.00080057 0.00022454
0.04287472 -0.00537232 0.00984424
-12.04037289 2.74334529 -11.14911876
0.00048905 -0.00018874 -0.00011194
0.00178362 -0.00186363 -0.00488467
-37.00704097 2.74514476 2.17696840
-0.00064923 0.00090283 0.00029750
0.01934630 -0.00661043 0.01674583
-37.68954476 0.36900342 3.83583218
0.00096244 0.00065302 0.00009142
0.02087567 0.00664297 -0.01103673
-8.78444693 -4.39564066 1.40876758
0.00019828 0.00045920 -0.00092344
0.01438700 0.00462666 0.01889398
-6.22919421 -4.83412171 3.03864195
0.00014026 0.00016732 -0.00039598
-0.00963931 -0.00055209 -0.00378395
2.65003772 0.06711878 7.08307861
0.00064146 -0.00023186 0.00006425
-0.00855987 -0.00548813 0.04022733
1.61504562 1.76642721 9.22532348
0.00026656 -0.00057544 0.00015175
-0.00852187 0.02044109 0.00831575
-30.34311663 -0.29037349 2.39277216
0.00005152 0.00025160 0.00008489
0.01439822 -0.01620705 0.00180929
-32.82640864 1.03582240 2.93569929
-0.00070070 -0.00123081 -0.00033139
0.02718472 0.01205684 -0.00234710
15.39100627 12.20823795 -18.28041554
0.00084011 -0.00037192 -0.00017580
0.04085281 0.02143812 0.01000566
18.06304732 12.22920302 -16.93804217
0.00051661 0.00001318 0.00003849
0.03431485 -0.03344743 0.02425763
-3.04554691 6.87908486 6.26957503
-0.00000220 0.00015729 0.00018390
0.00067959 -0.00338658 0.00327644
-3.03740262 5.44800797 3.85982692
-0.00019484 -0.00064474 -0.00019714
0.01221363 0.00236565 -0.04214319
5.79073718 16.46443427 -8.60276187
-0.00021148 0.00067760 0.00012338
0.00400552 -0.01613960 -0.03560533
7.37789224 18.18766064 -7.05079375
0.00055001 0.00085873 -0.00017908
-0.00651585 -0.00456229 0.00460886
7.61115920 5.65377187 -22.98195662
-0.00051821 -0.00191811 0.00005254
-0.01129743 -0.00650989 0.04703248
8.61415320 6.74549919 -20.40557868
-0.00027432 0.00035783 0.00018446
-0.01379235 -0.00956275 0.00433368
19.18119270 21.02059673 -4.13270388
-0.00001757 -0.00019244 0.00039821
0.00949716 0.03251004 0.02834463
19.77975803 19.68035884 -6.53871225
-0.00089117 -0.00056269 -0.00101202
-0.01258051 -0.00361656 0.01642261
1.86999724 12.17452514 -20.48601545
-0.00153624 0.00005006 0.00036337
0.00829698 0.01071616 -0.00927619
0.17167982 14.31319324 -21.33720411
-0.00011286 0.00022419 -0.00107166
-0.00529482 0.01082945 -0.00722107
10.79097399 -6.64923193 -0.89880760
-0.00078674 -0.00047126 0.00049721
-0.00702867 0.00013604 0.00534092
9.75854881 -3.96250236 -0.63608454
0.00023765 0.00029273 -0.00114163
-0.01912976 0.02799642 -0.02106082
-18.42540113 -4.95624737 6.90346137
0.00069911 -0.00072862 0.00024851
-0.00120040 0.01211359 -0.00670769
-18.76431126 -5.24357834 4.12353499
0.00028508 -0.00025225 -0.00061285
-0.00483898 0.00416534 -0.00941412
-14.45046682 -0.18631113 19.23193772
0.00068414 -0.00071900 0.00052040
-0.00636028 0.00636299 -0.01673382
-14.05499802 -0.42696359 22.08097026
0.00005464 0.00004091 0.00074263
-0.00402862 -0.00101711 0.00627791
1.45564083 3.48567415 -2.07716895
-0.00083796 -0.00067642 -0.00057578
0.00696878 -0.01367325 -0.01750365
2.01828923 2.13043375 -4.71012448
0.00034765 0.00000791 -0.00063290
0.00231480 -0.01792495 -0.00143610
21.80325330 -10.59796244 -6.11575096
0.00114434 0.00015090 -0.00057976
0.00404841 0.00012275 -0.04253837
22.55925802 -9.75994809 -3.61853800
-0.00012138 -0.00052800 -0.00085016
0.03558559 0.02441552 0.02730186
4.71184138 -10.33561085 6.98886981
-0.00042902 0.00008898 -0.00029426
-0.03154498 -0.00502260 0.02495991
2.95712010 -11.78937295 9.04258018
0.00026093 0.00004236 -0.00036920
0.00886190 -0.00316719 0.00439133
-1.97834162 -3.24101368 -20.64105320
-0.00015623 0.00074014 -0.00008550
-0.00540064 -0.00879137 -0.00484860
-3.48448466 -1.62123914 -18.64370670
-0.00051947 -0.00013990 0.00008257
0.01426360 -0.00991750 -0.00452521
0.56280602 5.15833938 -9.77716207
-0.00033582 -0.00005671 0.00049411
-0.01332002 -0.02578281 -0.01101066
-1.88947802 3.46717447 -9.35612530
-0.00046474 0.00031202 0.00193114
0.03515847 0.00634447 -0.01757055
-3.60711608 14.95569243 15.67967929
0.00006485 0.00139201 0.00038262
-0.01965139 -0.00954455 -0.02433168
-6.47528587 14.67818951 15.66068876
-0.00030914 0.00080591 -0.00043883
0.01364280 -0.00321640 -0.02311971
-6.79679945 1.93393431 -6.22789525
0.00005880 0.00041507 -0.00047749
0.01203805 -0.00412076 -0.00853750
-4.92460783 1.26726228 -8.45147775
0.00062509 -0.00011090 0.00033697
-0.01131364 0.00550191 0.00478533
-10.22041904 -0.52683405 -3.37381112
-0.00004775 -0.00066099 0.00020665
-0.00331296 -0.00993613 -0.00568392
-9.32220560 2.09510789 -2.97138484
-0.00115802 0.00008684 0.00135449
0.00504637 0.01865714 0.00552232
2.77397548 29.11076725 5.03670628
0.00113548 0.00028399 0.00009735
-0.00604389 0.00324864 -0.01033303
3.46594080 28.07611196 7.60663745
0.00009718 0.00016619 0.00072061
-0.01322490 -0.02107081 -0.03146127
8.33863548 -10.30613876 -1.26596404
-0.00044770 -0.00097956 0.00083553
-0.03964198 0.00915707 0.01169973
10.96938856 -11.14923368 -0.00332824
0.00023287 0.00048567 0.00043892
-0.02170291 0.00018641 -0.00959936
-5.26204873 0.02757055 8.92100270
-0.00055526 0.00112210 -0.00006282
0.00054791 -0.00988231 -0.00432211
-8.20174556 -0.19869668 9.30293400
-0.00051218 0.00069288 -0.00028206
0.01723469 0.00976394 -0.00189827
20.49045276 11.04931171 8.73968222
-0.00054094 0.00013251 -0.00064298
-0.00258717 -0.00180790 0.03711504
22.06444190 11.40957265 6.55478023
-0.00125507 -0.00129930 -0.00047013
0.03492906 0.00918107 -0.00996564
-2.83317670 0.48253185 -21.97686762
0.00001068 -0.00142665 0.00067540
-0.00385403 0.00800585 -0.04681204
-4.80220408 1.05296605 -24.10104727
-0.00074871 0.00020544 -0.00034860
-0.06371759 0.00122621 -0.00700707
-12.70989006 9.49246152 9.74134921
-0.00016810 0.00028167 -0.00009263
0.01186620 0.00868991 0.00894583
-13.66552749 9.85007822 7.09546418
0.00059311 -0.00059603 -0.00076438
-0.00286567 0.00846045 -0.01102669
-13.92411387 5.06790197 -4.73278492
-0.00090901 -0.00045300 0.00021615
-0.00639402 -0.00825551 0.00015939
-14.24739764 7.65433797 -3.54596922
0.00077324 0.00052462 -0.00070630
-0.01024203 0.02936418 -0.00930794
-4.06203500 -15.60804554 20.13282676
0.00001811 -0.00002518 0.00002420
0.01827118 0.00611851 0.01215916
-1.52846693 -16.59467799 19.49692893
-0.00019483 -0.00011689 0.00043611
0.00881538 -0.00846186 -0.00913685
-6.03703645 5.84053357 -7.47867634
0.00105613 0.00007447 0.00072611
0.00790080 0.00110999 -0.01351103
-7.32434985 8.38766592 -7.11944656
-0.00059905 -0.00093564 0.00053753
0.01446823 0.00765100 -0.01281456
-21.16831267 29.70768352 0.18611766
0.00039166 -0.00104865 0.00111049
-0.01205347 -0.01516972 -0.00905889
-18.31111689 29.41443114 1.30955860
0.00053410 0.00022774 -0.00087858
0.00241576 -0.01180414 -0.01036987
9.25239297 2.76832632 6.38846447
0.00057422 -0.00048695 0.00013774
0.00690250 0.03156979 0.03795246
9.09810587 5.55639034 8.02154032
-0.00024982 0.00025622 -0.00026931
0.01203087 -0.03061809 -0.01029146
8.24239028 17.34830912 -12.22544776
-0.00046577 0.00077548 -0.00045193
0.00757779 0.00986883 -0.00311805
8.37190981 14.53042037 -11.81074437
0.00090081 0.00065257 -0.00081028
-0.01958727 0.01627539 -0.00000055
12.24044618 5.95969810 -1.36368523
-0.00101223 0.00012053 0.00066502
-0.04026498 0.01872188 0.00164611
13.88607659 4.20763277 0.42718021
-0.00036244 -0.00027263 -0.00045167
-0.01023258 0.01155147 -0.01882776
-4.21693421 11.17168815 -1.95061403
-0.00056087 0.00032422 -0.00007217
-0.00337190 -0.00029881 -0.01506319
-6.72898144 10.56825002 -0.78969925
-0.00121956 0.00103025 -0.00046937
-0.01419758 -0.00886287 0.01418603
7.27193546 14.32244859 4.47222525
0.00039249 -0.00064569 0.00071459
0.01071958 -0.01840924 0.00836766
8.98283206 12.04789482 4.01060561
0.00022066 0.00027603 -0.00008780
0.04504530 -0.02780846 -0.04989554
20.49669011 -12.88619126 -8.96176051
0.00011077 -0.00089432 0.00054025
-0.03549769 -0.02078993 0.01928099
23.34413095 -12.35389329 -8.56921755
-0.00075150 0.00017056 -0.00048971
-0.01518639 -0.00343639 -0.01272935
19.86554069 -4.90837242 -2.77402109
0.00072159 0.00004860 0.00046293
-0.00017849 0.00990369 -0.00626899
18.38519308 -6.88664869 -1.44875129
0.00012700 0.00017769 0.00057948
-0.02779755 -0.01830524 0.00163119
13.79190922 9.54567213 8.52851519
0.00050082 0.00028007 0.00033884
-0.00761292 0.00872738 0.00061615
14.97350166 7.84818921 10.58263463
0.00025956 -0.00064667 -0.00041207
-0.00103606 0.00101192 -0.01997519
2.95195782 -15.19082792 17.34391032
-0.00012879 -0.00098325 -0.00028570
0.00958445 0.01868547 -0.00864492
3.89872251 -12.21912847 17.36773772
-0.00068693 0.00065517 -0.00107789
-0.00439197 -0.01677480 -0.00400924
-2.77613800 -3.90903956 -12.67303332
0.00003089 -0.00031404 0.00051494
0.00438868 0.00192552 0.00339339
-1.26845271 -1.35982540 -13.10828624
-0.00001290 -0.00011063 -0.00038874
0.02707243 0.00454365 0.00787017
16.14263314 -7.82980444 -14.78642509
0.00036597 0.00039545 -0.00028641
0.00950343 -0.00572403 -0.01997604
16.51589802 -8.07427058 -11.86859860
0.00040291 -0.00093472 -0.00082687
0.02076579 -0.01057374 0.02093973
7.90035654 -3.93281518 6.51702838
-0.00000922 0.00038482 0.00001501
-0.04793908 -0.00823303 -0.02421566
10.60734025 -3.95284706 5.21487076
-0.00014736 -0.00064457 0.00011415
-0.01397249 -0.00106106 0.00565214
-21.15714202 0.99665698 25.09799587
0.00110571 -0.00030193 -0.00005224
-0.00705783 -0.00760351 0.00173695
-19.14499421 2.98095278 25.83175971
0.00038824 0.00008290 0.00012962
-0.00555616 -0.01134795 -0.00231072
25.33862512 -2.74654209 -7.30459164
-0.00016664 0.00023656 0.00026381
0.02370377 -0.03155954 0.01139477
24.09436419 -1.10656114 -9.18063001
-0.00171484 0.00028014 0.00043610
-0.00014468 0.01079426 -0.00081825
11.65060545 -9.96081772 -9.42304866
-0.00012102 0.00035107 -0.00000034
0.00999958 0.00072663 0.01290394
12.82260591 -9.32382883 -12.10405639
0.00036241 -0.00060474 0.00007457
-0.00676270 -0.00237390 0.01287587
-7.60257325 -10.57946960 17.70891894
0.00148254 0.00018195 0.00041115
0.00862443 -0.00203814 -0.00584021
-10.25117395 -11.35797022 17.66359445
0.00023148 0.00091439 0.00004539
-0.00366591 0.00854852 -0.01000344
7.93413944 2.06792482 -29.32656672
0.00017842 -0.00022250 0.00011279
-0.00272587 -0.01292807 0.01683209
5.44221293 0.70366187 -28.81469606
0.00020146 0.00003249 0.00104865
0.00491917 0.00753372 0.01449425
14.31655208 19.19516960 13.45216912
0.00015884 0.00039639 0.00007158
0.02638417 0.01134022 0.02183515
13.02776970 17.84689076 11.54814172
0.00059050 -0.00048200 -0.00101832
-0.00879562 -0.01048896 -0.01287871
27.78692981 7.67113850 -11.68597266
-0.00052512 -0.00009269 0.00039004
0.00534774 0.00292468 -0.00626778
26.26518309 7.68453237 -9.26262108
-0.00068960 -0.00016695 0.00055536
-0.00201671 -0.00012063 0.00397629
-7.93103747 4.66866564 6.08606387
0.00012993 0.00013511 0.00005511
-0.00007542 -0.00816113 0.00376091
-10.48369013 9.19605520 2.90865757
0.00014219 -0.00006199 0.00009948
0.01429195 -0.00398264 0.01260283
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.07667912
0.28084421
374.21083057
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0592296512
ExchangeOperator: pair fraction: ispin=0: 0.1465657112
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.4082738711 (a.u.)
total exchange computation time: 2.8693449497 s
-154.3066665433
-931.35698810
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0592296512
ExchangeOperator: pair fraction: ispin=0: 0.1465657112
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.4072569196 (a.u.)
total exchange computation time: 2.8646900654 s
-154.3153832918
Anderson extrapolation: theta=1.3364951313 (1.3364951313)
-931.35726128
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0592296512
ExchangeOperator: pair fraction: ispin=0: 0.1465657112
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.4058081510 (a.u.)
total exchange computation time: 2.8662331104 s
-154.3274650726
Anderson extrapolation: theta=0.0498562337 (0.0498562337)
-931.35742199
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0592296512
ExchangeOperator: pair fraction: ispin=0: 0.1465657112
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.4056652017 (a.u.)
total exchange computation time: 2.8685998917 s
-154.3284904966
Anderson extrapolation: theta=1.9103703868 (1.9103703868)
-931.35742776
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0592296512
ExchangeOperator: pair fraction: ispin=0: 0.1465657112
ExchangeOperator: bisection time: 1.422 s
total exchange = -52.4053711124 (a.u.)
total exchange computation time: 2.8692700863 s
-154.3305615026
Anderson extrapolation: theta=0.2251618851 (0.2251618851)
-931.35743362
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0590843023
ExchangeOperator: pair fraction: ispin=0: 0.1461330449
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.4048754652 (a.u.)
total exchange computation time: 2.9470531940 s
-154.3306100171
Anderson extrapolation: theta=-0.9610004845 (-0.9610004845)
-931.35701054
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0590843023
ExchangeOperator: pair fraction: ispin=0: 0.1461330449
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.4049282020 (a.u.)
total exchange computation time: 2.9396870136 s
-154.3302430677
Anderson extrapolation: theta=0.6058714732 (0.6058714732)
-931.35701057
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0590843023
ExchangeOperator: pair fraction: ispin=0: 0.1461330449
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.4049582351 (a.u.)
total exchange computation time: 2.9429149628 s
-154.3301350998
Anderson extrapolation: theta=2.5532750850 (2.0000000000)
-931.35701655
18.695719 -16.226554 -212.322800
562.740453 1075.144006 -404.458996
581.436172 1058.917452 -616.781795
1356.390053
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0590843023
ExchangeOperator: pair fraction: ispin=0: 0.1461330449
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.4050055462 (a.u.)
total exchange computation time: 2.9436240196 s
679.29994409
-1085.04669282
89.82857769
-388.15438397
-174.87946483
78.97072673
551.60419304
0.00000000
-931.35702539
4.59626531 -30.84613936 -3.55661232
-0.00007185 -0.00016396 0.00007766
0.00187683 0.01026504 0.01763137
-11.93115930 2.06210354 -9.43622757
0.00038129 0.00001729 0.00020774
-0.05562628 0.01050862 -0.00673843
-36.18918508 1.26246009 3.12902772
-0.00006367 0.00014768 0.00004595
-0.03073679 0.00493579 -0.00385694
-7.48876825 -3.58539086 2.55894256
0.00007470 0.00018401 0.00018677
-0.01297207 -0.00980310 -0.01457812
2.25298821 0.11456624 8.96399442
0.00000170 0.00006609 0.00008630
0.01593160 -0.02477430 -0.04629791
-30.94760145 1.38540500 2.72324503
-0.00003424 0.00024057 -0.00016081
-0.04612310 0.01036663 0.00399583
16.99195113 13.24002701 -17.91530836
-0.00027535 -0.00011314 -0.00056476
-0.06875015 0.00846242 -0.03374189
-3.42815417 5.22699379 5.55253599
0.00003234 -0.00020882 0.00000180
-0.01089428 0.00547811 0.03411490
5.83021671 17.17968478 -6.97437743
-0.00022535 -0.00037116 0.00001765
0.01452373 0.02838520 0.03312634
7.19432176 5.65477935 -20.96694520
0.00029165 0.00022394 0.00001047
0.01268538 0.00963224 -0.04482528
18.60692251 19.63955648 -5.08459650
-0.00000072 0.00008635 -0.00007264
0.01049273 -0.03391046 -0.04759675
1.93460733 13.92024462 -21.13672804
0.00019534 0.00013766 -0.00024873
-0.00069483 -0.02029283 0.01797696
10.29839609 -5.36053777 0.32849643
0.00018096 0.00006830 0.00037087
0.02449335 -0.02771811 0.00943887
-18.31550273 -3.96030204 5.34147086
0.00039550 -0.00024959 -0.00003278
0.00714114 -0.02456606 0.01783042
-14.20305850 -1.41335263 20.54883042
-0.00025360 0.00020268 0.00006400
0.01168256 -0.00797151 0.01712683
1.59975917 3.68105156 -3.91317388
-0.00001712 0.00013385 -0.00016266
-0.00546574 0.03009244 0.01687828
21.28454280 -10.62498314 -4.44267956
-0.00018588 -0.00010021 0.00005057
-0.04224542 -0.01616497 0.00681437
3.05386131 -10.33483729 7.94381268
0.00008928 -0.00019516 -0.00017346
0.02471856 0.01268766 -0.03059988
-1.85376326 -1.84480249 -19.48941069
0.00001137 -0.00003127 -0.00023318
-0.01468981 0.02591481 0.01134193
-0.22437267 3.52149998 -10.29096255
-0.00017635 0.00008400 -0.00059006
-0.03017649 0.02373048 0.03411464
-5.02275337 14.62451469 14.46977201
0.00000904 0.00003568 -0.00006294
0.00906198 0.01348269 0.04097812
-5.47417984 2.63495485 -7.35256851
0.00014382 0.00030334 0.00021131
-0.00104236 -0.01312670 0.00342201
-9.18090691 0.73482189 -4.16017148
-0.00002930 0.00018899 -0.00001321
-0.00230817 -0.00196000 0.00792597
2.93395838 27.49323458 5.84941506
-0.00018139 -0.00022844 -0.00021128
0.01747646 0.02639106 0.05022875
10.01917317 -10.68470497 -1.57089772
-0.00006521 -0.00037736 0.00020092
0.04588152 -0.00212172 -0.01539088
-6.77962758 0.99587216 9.21989500
0.00011821 -0.00013852 0.00007523
-0.02652502 0.00501633 0.00439703
20.43820807 10.83090561 6.98703173
-0.00010355 0.00003065 0.00000537
-0.04497955 -0.01794701 -0.02553185
-3.10027707 1.10095240 -23.82811594
0.00014033 0.00005774 -0.00021639
0.05609345 -0.01263654 0.05684988
-13.86265051 8.79305938 8.54002016
0.00047511 0.00013069 0.00024450
-0.01351067 -0.02599973 0.00165239
-13.45665657 6.08649290 -3.30019172
-0.00019824 -0.00010929 -0.00006770
0.01345804 -0.01534892 -0.00076344
-2.26627511 -15.36035365 20.58909861
-0.00021805 -0.00010561 -0.00013710
-0.03085746 0.00126313 0.00116770
-5.99297314 7.56784871 -8.14749046
0.00000754 0.00038418 0.00032146
-0.01897760 -0.00115449 0.01622445
-19.79143380 30.43868421 1.04963599
0.00018484 -0.00018157 -0.00029596
0.01457760 0.03147635 0.02213608
9.87490497 3.78663885 7.94307007
-0.00010697 0.00004692 0.00003404
-0.01813469 0.00274423 -0.03356554
7.16949949 15.98437916 -11.72170392
0.00001634 0.00016476 0.00023764
0.01477520 -0.02817534 0.00278296
13.78744539 5.16910137 -1.18950767
-0.00018840 -0.00035792 -0.00006942
0.04369156 -0.03117029 0.01001382
-6.03293746 11.44703769 -2.18221967
-0.00017995 0.00000034 0.00027220
0.03571370 0.01332449 0.01532399
7.92874931 12.72739867 5.19089644
-0.00024389 -0.00025699 0.00022590
-0.05299721 0.04552216 0.03557013
21.86596585 -12.05183008 -9.66836681
-0.00028954 0.00020169 0.00017530
0.03219221 0.02141874 -0.00601084
19.88401309 -5.96868367 -1.28191547
-0.00025643 0.00006522 0.00032800
0.02609149 0.01392483 0.01272537
14.66463372 7.99476698 8.71935567
0.00025909 0.00009327 0.00025964
0.01505437 -0.01215385 0.02235460
3.79878239 -13.79897235 16.38193734
0.00002435 0.00014365 0.00020497
-0.00506653 -0.00825862 0.00753619
-2.54342643 -2.44923725 -13.72529516
0.00001696 0.00016313 0.00008973
-0.03421021 -0.01142977 -0.00961957
15.52459221 -7.36672277 -13.15826662
-0.00007458 0.00004316 -0.00001858
-0.03125677 0.01703376 0.00438282
9.60682099 -3.64529509 6.71942866
0.00036321 -0.00023305 -0.00014638
0.05812574 0.01472330 0.01476456
-19.40653197 1.38321468 24.90168157
-0.00014371 0.00002335 0.00000441
0.02089430 0.01734676 -0.00080680
24.35268197 -1.26742112 -7.37766877
-0.00025901 0.00017412 -0.00014254
-0.02090999 0.02554080 -0.00672291
11.65656131 -10.46162501 -11.16749301
-0.00001986 -0.00015495 -0.00040919
-0.00383244 0.01253516 -0.01404868
-8.94105953 -10.82418858 16.46445356
0.00016542 0.00016378 0.00007028
-0.01875196 -0.00737347 -0.00416582
6.78933623 1.59046079 -27.86246733
0.00021055 -0.00003312 -0.00008377
0.00491892 0.00313036 -0.03360604
12.63877417 18.80109977 13.02923939
-0.00014492 -0.00019271 -0.00014759
-0.01011677 -0.00918094 -0.01396671
26.06522911 7.52013915 -11.08457009
-0.00008714 0.00009988 -0.00005457
0.00306881 -0.00419392 0.00488017
5.27095492 -29.51497750 -4.65334732
-0.00024249 -0.00068906 -0.00032408
-0.00140752 -0.00199740 -0.00115018
4.26088814 -29.98397343 -1.92546149
0.00003952 0.00093497 -0.00014955
-0.00375716 -0.01499223 -0.01586744
-10.26543071 1.87351445 -8.99293699
0.00003408 0.00077783 0.00026812
0.04803791 -0.00576181 0.01148448
-12.03298253 2.74045714 -11.15094748
0.00049583 -0.00019711 -0.00012881
0.00153606 -0.00223386 -0.00337321
-37.01618657 2.75848464 2.18194406
-0.00056681 0.00087220 0.00036800
0.02099729 -0.00838237 0.01776479
-37.67446845 0.37900228 3.83686526
0.00103641 0.00067282 0.00005177
0.01533088 0.00305007 -0.00837376
-8.78103190 -4.38861088 1.39549491
0.00025959 0.00047949 -0.00084286
0.01562453 0.00530666 0.02055342
-6.22738562 -4.83162883 3.03258637
0.00010201 0.00016377 -0.00041096
-0.00908548 -0.00118510 -0.00354988
2.65939733 0.06347277 7.08527503
0.00060546 -0.00025338 0.00022965
-0.00906441 -0.00504830 0.04073557
1.61878283 1.75842203 9.22785454
0.00022806 -0.00048150 0.00018643
-0.01032444 0.02554371 0.00866292
-30.34190267 -0.28709610 2.39410088
0.00011167 0.00018573 0.00009218
0.01504837 -0.01603666 0.00176215
-32.83608619 1.01772964 2.93065657
-0.00058198 -0.00117746 -0.00034128
0.03093320 0.01405971 -0.00249585
15.40485979 12.20331615 -18.28274588
0.00099835 -0.00028871 -0.00013693
0.03660795 0.01929254 0.00901985
18.07184796 12.22837585 -16.93672152
0.00064763 -0.00011395 0.00012900
0.02981908 -0.02878720 0.02004906
-3.04555912 6.88134044 6.27243389
-0.00000039 0.00013811 0.00019374
0.00020845 -0.00600471 0.00154237
-3.03995099 5.43840934 3.85557843
-0.00014567 -0.00063480 -0.00036533
0.01185610 0.00249922 -0.04018648
5.78768779 16.47410363 -8.60200229
-0.00019533 0.00060825 -0.00002962
0.00389937 -0.01780676 -0.03928873
7.38594268 18.20040180 -7.05333880
0.00050775 0.00082934 -0.00015948
-0.01417100 -0.00982342 0.00498907
7.60303987 5.62480069 -22.97972723
-0.00056158 -0.00193899 0.00024327
-0.00993408 -0.00371010 0.04632738
8.60961574 6.75057367 -20.40267896
-0.00032704 0.00032068 0.00020097
-0.01201520 -0.00862477 0.00374923
19.18122024 21.01870637 -4.12586224
0.00002215 -0.00006079 0.00051128
0.00994355 0.03193436 0.02700800
19.76600499 19.67180767 -6.55338931
-0.00094292 -0.00057540 -0.00094138
-0.01275366 -0.00260722 0.01815539
1.84720795 12.17560441 -20.48084912
-0.00149964 0.00009764 0.00032375
0.00961828 0.01257359 -0.01012114
0.16982471 14.31688793 -21.35350027
-0.00012809 0.00026865 -0.00110105
-0.00216260 0.01093616 -0.00716493
10.77895752 -6.65629670 -0.89118576
-0.00081485 -0.00047127 0.00051957
-0.00673298 -0.00013786 0.00560526
9.76152731 -3.95725353 -0.65385441
0.00016446 0.00039335 -0.00121710
-0.01669316 0.02125934 -0.01587972
-18.41495134 -4.96680542 6.90698345
0.00069416 -0.00067637 0.00021520
-0.00122161 0.01345947 -0.00959587
-18.76018338 -5.24723447 4.11405383
0.00026690 -0.00023116 -0.00064603
-0.00405796 0.00616082 -0.00683100
-14.44039967 -0.19690121 19.23923090
0.00065609 -0.00068112 0.00044107
-0.00736644 0.01218312 -0.02209744
-14.05430186 -0.42638107 22.09230213
0.00003727 0.00003347 0.00076129
-0.00447594 -0.00262529 0.00285427
1.44328503 3.47510880 -2.08634195
-0.00080978 -0.00073198 -0.00064286
0.00682358 -0.01352355 -0.01533512
2.02357497 2.13000316 -4.71966195
0.00035509 -0.00005879 -0.00063589
0.00132461 -0.01472424 -0.00002935
21.82054239 -10.59569514 -6.12575093
0.00115270 0.00015031 -0.00073411
0.00004678 -0.00041343 -0.03301749
22.55852770 -9.76711998 -3.63045381
0.00003151 -0.00042325 -0.00073126
0.03925701 0.02686355 0.03089948
4.70443938 -10.33443004 6.98522078
-0.00055307 0.00006803 -0.00019437
-0.02917391 -0.00523381 0.02393407
2.96130556 -11.78883460 9.03717681
0.00029706 0.00002584 -0.00034846
0.00882581 -0.00491887 0.00575978
-1.98085063 -3.23018103 -20.64248428
-0.00017877 0.00069535 -0.00011203
-0.00563298 -0.01313071 -0.00813993
-3.49183969 -1.62364154 -18.64260684
-0.00045397 -0.00018103 0.00006060
0.01780268 -0.01021832 -0.00622844
0.55736049 5.15669868 -9.77008774
-0.00038855 -0.00016222 0.00044764
-0.01248748 -0.02586396 -0.01174160
-1.89537179 3.47204926 -9.32769662
-0.00030907 0.00033642 0.00184992
0.04104166 0.00559630 -0.02218773
-3.60674557 14.97628005 15.68467306
-0.00002014 0.00135107 0.00027945
-0.02195196 -0.01049325 -0.02617299
-6.47950496 14.69017955 15.65339792
-0.00025350 0.00079225 -0.00053269
0.01359687 -0.00346727 -0.02282763
-6.79554853 1.94003406 -6.23531916
0.00010402 0.00039666 -0.00050816
0.01009495 -0.00488888 -0.00647539
-4.91557819 1.26576741 -8.44627654
0.00057738 -0.00008424 0.00035950
-0.01204203 0.00754652 0.00624285
-10.22123687 -0.53705342 -3.37088559
-0.00005439 -0.00069402 0.00017786
0.00006678 -0.00623293 -0.00840957
-9.33942124 2.09698217 -2.95089822
-0.00113526 0.00015312 0.00136665
0.00609510 0.01379084 0.00042953
2.79082244 29.11512669 5.03784988
0.00111103 0.00029398 0.00005580
-0.00592478 0.00164166 -0.01000567
3.46699319 28.07795911 7.61648247
0.00004023 0.00007647 0.00058344
-0.01464982 -0.02284475 -0.03568099
8.33070517 -10.32055151 -1.25307258
-0.00060132 -0.00094422 0.00088146
-0.03555178 0.00814139 0.01078269
10.97221657 -11.14194294 0.00296146
0.00014403 0.00048592 0.00039835
-0.02178709 -0.00006365 -0.01026371
-5.27036085 0.04409922 8.91992802
-0.00053876 0.00107078 -0.00008338
0.00753135 -0.01523891 -0.00574446
-8.20890011 -0.18800421 9.29864499
-0.00044101 0.00073065 -0.00028978
0.01760216 0.00872340 -0.00188281
20.48225932 11.05124401 8.73117491
-0.00055055 0.00012693 -0.00048084
-0.00211690 -0.00092555 0.04225218
22.04668621 11.39036442 6.54742286
-0.00109082 -0.00125440 -0.00051647
0.04547332 0.01280042 -0.01271779
-2.83313456 0.46137749 -21.96817103
-0.00000611 -0.00138988 0.00047594
-0.00436584 0.00999191 -0.05082854
-4.81538721 1.05608515 -24.10649097
-0.00098705 0.00021110 -0.00037347
-0.05295297 0.00154851 -0.00516776
-12.71204797 9.49695292 9.74023389
-0.00011406 0.00032087 -0.00005102
0.01458979 0.01049619 0.01142327
-13.65671870 9.84139707 7.08366064
0.00058113 -0.00056553 -0.00080255
-0.00299881 0.00646641 -0.00766084
-13.93794490 5.06085396 -4.72953777
-0.00093417 -0.00048477 0.00021846
-0.00592537 -0.00729671 0.00097080
-14.23611289 7.66310701 -3.55684897
0.00073381 0.00063941 -0.00074284
-0.00905801 0.02683092 -0.00857955
-4.06120345 -15.60823572 20.13356238
0.00008886 -0.00000089 0.00007274
0.01635901 0.00577246 0.01159939
-1.53111928 -16.59669063 19.50319062
-0.00015720 -0.00015455 0.00039598
0.00960795 -0.00997578 -0.01050755
-6.02095240 5.84168469 -7.46819869
0.00108849 0.00008419 0.00066837
0.00793863 0.00364614 -0.01475553
-7.33289230 8.37386583 -7.11177627
-0.00054031 -0.00090259 0.00048508
0.01428784 0.00852364 -0.01286033
-21.16280719 29.69148892 0.20249743
0.00033615 -0.00111370 0.00106980
-0.01511552 -0.01667273 -0.01086079
-18.30303134 29.41748553 1.29606218
0.00054395 0.00017981 -0.00092003
0.00240531 -0.01165993 -0.00992176
9.26121782 2.76198952 6.39169349
0.00060137 -0.00035755 0.00029181
0.00638559 0.03177102 0.03746633
9.09472715 5.55929535 8.01718531
-0.00020009 0.00013001 -0.00031087
0.01231406 -0.03115977 -0.01005126
8.23563590 17.36024374 -12.23232227
-0.00043882 0.00081098 -0.00046253
0.00561541 0.00750820 -0.00206953
8.38482176 14.54070763 -11.82289858
0.00081873 0.00072001 -0.00080927
-0.02059016 0.01673835 0.00049503
12.22402893 5.96207969 -1.35365945
-0.00115917 0.00018872 0.00067301
-0.03166390 0.01465727 0.00226155
13.88032648 4.20389737 0.41982827
-0.00040290 -0.00022824 -0.00052335
-0.00957652 0.01017607 -0.01626143
-4.22545062 11.17654230 -1.95215813
-0.00056896 0.00032085 -0.00013115
-0.00058531 -0.00134890 -0.01380964
-6.74770990 10.58343218 -0.79630512
-0.00128019 0.00098847 -0.00040287
-0.01548000 -0.01158980 0.01836608
7.27815136 14.31219914 4.48320051
0.00043161 -0.00071106 0.00074512
0.00842713 -0.01358862 0.00657554
8.98752236 12.05118315 4.00775971
0.00039906 0.00016651 -0.00028414
0.04228226 -0.02580441 -0.04621725
20.49726383 -12.90024310 -8.95306588
-0.00002782 -0.00097485 0.00061475
-0.03234026 -0.01863151 0.01718740
23.33239310 -12.35144022 -8.57695330
-0.00080383 0.00015513 -0.00053620
-0.01042807 -0.00411628 -0.01002475
19.87635910 -4.90733997 -2.76726928
0.00071957 0.00008864 0.00043609
-0.00081291 0.00969591 -0.00686779
18.38624628 -6.88454425 -1.44000911
0.00000801 0.00010049 0.00058435
-0.03044828 -0.01948413 0.00075208
13.79918830 9.55014065 8.53361665
0.00047028 0.00031452 0.00034220
-0.00734096 0.00813478 0.00102701
14.97736331 7.83852021 10.57584153
0.00025596 -0.00064186 -0.00048627
-0.00072652 0.00133930 -0.01634674
2.95031967 -15.20500415 17.33935990
-0.00008685 -0.00089988 -0.00032231
0.01094306 0.02212687 -0.00927743
3.88828405 -12.20981502 17.35144653
-0.00070506 0.00058833 -0.00108970
-0.00448761 -0.01594323 -0.00177269
-2.77554022 -3.91369121 -12.66520519
0.00005027 -0.00029766 0.00052274
0.00509983 0.00609291 0.00042487
-1.26781662 -1.36134567 -13.11387621
0.00010160 -0.00008891 -0.00035455
0.02897365 0.00609128 0.00886815
16.14841396 -7.82404809 -14.79133338
0.00040143 0.00037417 -0.00036379
0.00785331 -0.00469293 -0.01790339
16.52257803 -8.08861538 -11.88035994
0.00048572 -0.00097654 -0.00074233
0.01976679 -0.00989829 0.02044382
7.89874928 -3.92729512 6.51651143
-0.00019816 0.00035284 -0.00008310
-0.04455156 -0.00742412 -0.02380740
10.60470175 -3.96254812 5.21675615
-0.00020053 -0.00064995 0.00013150
-0.01205731 -0.00157232 0.00284418
-21.14077261 0.99189501 25.09726554
0.00105780 -0.00033629 -0.00004254
-0.01639675 -0.00921541 0.00301124
-19.13934083 2.98184851 25.83363322
0.00036387 0.00003456 0.00011927
-0.00637642 -0.01231601 -0.00275760
25.33685181 -2.74396075 -7.30028537
-0.00007115 0.00010950 0.00030828
0.02304022 -0.03063740 0.01037571
24.06863714 -1.10202825 -9.17411352
-0.00171455 0.00032317 0.00042819
0.00028503 0.01027118 -0.00305553
11.64909655 -9.95552944 -9.42265835
-0.00008035 0.00035105 0.00004393
0.00991061 -0.00073627 0.00876538
12.82783476 -9.33297268 -12.10254333
0.00033643 -0.00061211 0.00012484
-0.00595171 -0.00123492 0.01173292
-7.58007081 -10.57680276 17.71490725
0.00150551 0.00017095 0.00037797
0.00261658 -0.00334829 -0.01040385
-10.24781411 -11.34399247 17.66396878
0.00021488 0.00094810 0.00000740
-0.00445933 0.00795339 -0.00859531
7.93673220 2.06419118 -29.32435906
0.00016788 -0.00027486 0.00017911
-0.00243426 -0.01270218 0.01563017
5.44538560 0.70438014 -28.79852218
0.00021657 0.00005998 0.00110243
0.00247827 0.00592118 0.01183309
14.31974319 19.20146291 13.45391184
0.00025691 0.00044014 0.00015748
0.02162063 0.01007855 0.02021488
13.03635774 17.83933934 11.53247222
0.00055198 -0.00051556 -0.00105638
-0.01006445 -0.00593895 -0.00575243
27.77921685 7.66983781 -11.68031413
-0.00049507 -0.00008000 0.00036260
0.00936487 0.00328429 -0.00716533
26.25477733 7.68202445 -9.25416889
-0.00069780 -0.00016772 0.00056436
-0.00199808 -0.00025738 0.00043053
-7.92908879 4.67067038 6.08690059
0.00012988 0.00013220 0.00005644
-0.00017688 -0.00808364 0.00368163
-10.48153243 9.19511838 2.91017164
0.00014557 -0.00006294 0.00010239
0.01482205 -0.00421955 0.01248975
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.07627754
0.28074784
374.08242470
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0590843023
ExchangeOperator: pair fraction: ispin=0: 0.1461330449
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.3994844333 (a.u.)
total exchange computation time: 2.9408221245 s
-154.2703160070
-931.35747072
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0590843023
ExchangeOperator: pair fraction: ispin=0: 0.1461330449
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3984905642 (a.u.)
total exchange computation time: 2.9436299801 s
-154.2786961587
Anderson extrapolation: theta=1.3694918306 (1.3694918306)
-931.35774950
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0590843023
ExchangeOperator: pair fraction: ispin=0: 0.1461330449
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3970206742 (a.u.)
total exchange computation time: 2.9434978962 s
-154.2907328130
Anderson extrapolation: theta=0.0614070503 (0.0614070503)
-931.35792269
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0590843023
ExchangeOperator: pair fraction: ispin=0: 0.1461330449
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.3968487286 (a.u.)
total exchange computation time: 2.9425740242 s
-154.2919601663
Anderson extrapolation: theta=2.2058527001 (2.0000000000)
-931.35793135
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0590843023
ExchangeOperator: pair fraction: ispin=0: 0.1461330449
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3964873222 (a.u.)
total exchange computation time: 2.9463338852 s
-154.2944832604
Anderson extrapolation: theta=0.3508573198 (0.3508573198)
-931.35794213
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0590843023
ExchangeOperator: pair fraction: ispin=0: 0.1461330449
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3963677089 (a.u.)
total exchange computation time: 2.9421348572 s
-154.2952727920
Anderson extrapolation: theta=1.2504933121 (1.2504933121)
-931.35794493
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0590843023
ExchangeOperator: pair fraction: ispin=0: 0.1461330449
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3962497537 (a.u.)
total exchange computation time: 2.9425790310 s
-154.2959990886
Anderson extrapolation: theta=0.4342675052 (0.4342675052)
-931.35794745
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0590843023
ExchangeOperator: pair fraction: ispin=0: 0.1461330449
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.3962318124 (a.u.)
total exchange computation time: 2.9448931217 s
-154.2960492149
Anderson extrapolation: theta=0.8742401733 (0.8742401733)
-931.35794832
18.701462 28.156618 -212.270242
562.716253 1075.137290 -404.477021
581.417715 1103.293909 -616.747263
1391.287603
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0590843023
ExchangeOperator: pair fraction: ispin=0: 0.1461330449
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3962425032 (a.u.)
total exchange computation time: 2.9455401897 s
679.16084704
-1084.75367193
89.83966147
-388.35233584
-174.85620707
78.81120009
551.60419304
0.00000000
-931.35794882
4.59519486 -30.84855913 -3.55537943
-0.00007108 -0.00015858 0.00008724
0.00109295 0.01066376 0.01964444
-11.92565448 2.06240341 -9.43313746
0.00035187 0.00002286 0.00020357
-0.05878434 0.01113786 -0.00947707
-36.19025866 1.26469430 3.12970213
-0.00007827 0.00015161 0.00004291
-0.02605115 0.01037002 -0.00797924
-7.48769782 -3.58266849 2.56168785
0.00006759 0.00017899 0.00017884
-0.01465574 -0.00973660 -0.01623993
2.25307519 0.11546201 8.96511040
0.00001038 0.00005211 0.00006239
0.01782179 -0.02956909 -0.04668893
-30.94829290 1.38905358 2.72084826
-0.00005893 0.00024525 -0.00015871
-0.04990789 0.00782689 0.00417582
16.98755571 13.23836250 -17.92390997
-0.00030809 -0.00010940 -0.00058056
-0.05858565 0.00608622 -0.02767130
-3.42771107 5.22388260 5.55269452
0.00002700 -0.00020540 0.00001889
-0.00988235 0.00781476 0.03237726
5.82689242 17.17422690 -6.97398497
-0.00021619 -0.00035501 0.00003524
0.02110442 0.03441268 0.03530826
7.19874539 5.65817567 -20.96696108
0.00029734 0.00022809 -0.00001243
0.00944572 0.00648588 -0.04422148
18.60695221 19.64072089 -5.08586974
0.00000466 0.00006906 -0.00009694
0.01040793 -0.03333284 -0.04690157
1.93753471 13.92223124 -21.14038959
0.00019383 0.00012687 -0.00023926
-0.00515282 -0.02166776 0.01882198
10.30120491 -5.35962026 0.33409581
0.00019285 0.00005593 0.00037426
0.02175386 -0.02035655 0.00374398
-18.30954265 -3.96414066 5.34104796
0.00039899 -0.00026304 -0.00002358
0.00643176 -0.02774194 0.01794955
-14.20681744 -1.41034321 20.54985641
-0.00024719 0.00019748 0.00007508
0.01324993 -0.01226146 0.02596928
1.59948133 3.68317541 -3.91554867
-0.00001959 0.00014844 -0.00015506
-0.00416508 0.02663751 0.01267067
21.28159161 -10.62654866 -4.44189472
-0.00020716 -0.00010873 0.00005100
-0.04049661 -0.01694546 -0.00515828
3.05529590 -10.33771572 7.94109274
0.00010120 -0.00018821 -0.00018917
0.02163768 0.01432907 -0.03049355
-1.85364932 -1.84517158 -19.49286462
0.00000307 -0.00001682 -0.00022621
-0.01759900 0.03026752 0.01574221
-0.22713431 3.52285154 -10.29968191
-0.00019342 0.00009633 -0.00057122
-0.03619582 0.02420608 0.03916002
-5.02258278 14.62510191 14.46898592
0.00001429 0.00004290 -0.00004160
0.01132888 0.01459757 0.04201815
-5.47202652 2.63945436 -7.34938569
0.00014402 0.00029632 0.00021225
0.00180699 -0.01418257 0.00022728
-9.18135531 0.73764921 -4.16033906
-0.00003153 0.00018825 -0.00000723
-0.00635457 -0.00093758 0.01531430
2.93130497 27.48990981 5.84643968
-0.00017208 -0.00021396 -0.00018461
0.01871975 0.02991529 0.05345080
10.01837207 -10.69037354 -1.56794327
-0.00004301 -0.00037799 0.00019337
0.04041950 -0.00033755 -0.01395944
-6.77795681 0.99381375 9.22104036
0.00010269 -0.00013422 0.00007790
-0.03382211 0.01170495 0.00598220
20.43648139 10.83129607 6.98701384
-0.00012935 0.00002047 -0.00000812
-0.05538559 -0.02160855 -0.02695224
-3.09795576 1.10176974 -23.83114251
0.00016623 0.00005064 -0.00018680
0.04463531 -0.01495585 0.05821675
-13.85557594 8.79491949 8.54369402
0.00046749 0.00011728 0.00024382
-0.01614632 -0.02614862 -0.00427725
-13.45957826 6.08479439 -3.30121023
-0.00019186 -0.00011677 -0.00006850
0.01135691 -0.01375719 -0.00231998
-2.26966488 -15.36193294 20.58704664
-0.00023350 -0.00010455 -0.00013603
-0.02924360 0.00286174 0.00298109
-5.99293325 7.57360689 -8.14260590
-0.00000210 0.00038273 0.00033008
-0.01849776 -0.00446270 0.01728892
-19.78860498 30.43608203 1.04528197
0.00019295 -0.00016512 -0.00028427
0.01697779 0.03252012 0.02331776
9.87323041 3.78735326 7.94345123
-0.00011615 0.00004844 0.00001698
-0.01753017 0.00315750 -0.03277232
7.16980153 15.98674187 -11.71812856
0.00002467 0.00015089 0.00023868
0.01761849 -0.02574348 0.00123891
13.78478792 5.16361233 -1.19051027
-0.00016844 -0.00037240 -0.00006516
0.03391431 -0.02513677 0.00653442
-6.03549902 11.44709415 -2.17807758
-0.00016198 0.00000806 0.00027889
0.03419703 0.01672161 0.01069713
7.92488649 12.72371947 5.19442208
-0.00026941 -0.00023565 0.00024328
-0.04622281 0.03744655 0.03202228
21.86174697 -12.04872217 -9.66576056
-0.00027537 0.00021220 0.00017204
0.02289041 0.01948064 -0.00663795
19.88026723 -5.96765164 -1.27694643
-0.00024243 0.00007262 0.00033483
0.02837569 0.01484793 0.01384392
14.66857820 7.99611912 8.72333643
0.00026663 0.00008717 0.00026999
0.01423187 -0.01155630 0.01790352
3.79912816 -13.79684943 16.38504103
0.00002150 0.00013823 0.00020838
-0.00603571 -0.01281467 0.00570980
-2.54330406 -2.44683439 -13.72398634
-0.00000118 0.00015599 0.00008530
-0.03630541 -0.01632323 -0.00761655
15.52335291 -7.36600972 -13.15852847
-0.00008982 0.00005136 -0.00001668
-0.02800879 0.01485811 0.00301996
9.61249341 -3.64873408 6.71728993
0.00039125 -0.00022557 -0.00013816
0.05088808 0.01435624 0.01721581
-19.40860709 1.38363182 24.90174466
-0.00013042 0.00003293 0.00000373
0.03081917 0.01993287 -0.00185144
24.34871617 -1.26471080 -7.37983284
-0.00026947 0.00018692 -0.00014514
-0.01978415 0.02422740 -0.00338179
11.65624864 -10.46390086 -11.17368499
-0.00002207 -0.00014834 -0.00041495
-0.00475389 0.01316550 -0.00837907
-8.93865063 -10.82176027 16.46549172
0.00015732 0.00016044 0.00006873
-0.01273806 -0.00563878 -0.00187869
6.79251341 1.58997610 -27.86385356
0.00021368 -0.00003111 -0.00010010
0.00726741 0.00465766 -0.02987985
12.63656133 18.79817367 13.02697160
-0.00014844 -0.00019816 -0.00015607
-0.00357128 -0.01200376 -0.01899364
26.06393389 7.52162114 -11.08536976
-0.00008652 0.00009768 -0.00005091
-0.00065778 -0.00436539 0.00934112
5.26727443 -29.52537463 -4.65824372
-0.00024693 -0.00069542 -0.00033060
-0.00076474 -0.00111460 -0.00204127
4.26136583 -29.97040833 -1.92819095
0.00002456 0.00087100 -0.00021677
-0.00356882 -0.01632115 -0.01703878
-10.26344740 1.88500533 -8.98856332
0.00023665 0.00075413 0.00031721
0.05111694 -0.00584039 0.01254504
-12.02549803 2.73743209 -11.15298293
0.00050165 -0.00020699 -0.00013947
0.00131478 -0.00260197 -0.00184787
-37.02404532 2.77131079 2.18800846
-0.00047813 0.00083476 0.00044227
0.02241312 -0.00994583 0.01858860
-37.65845257 0.38918808 3.83738515
0.00108634 0.00067720 0.00002368
0.00911352 -0.00090481 -0.00537470
-8.77665930 -4.38125589 1.38348188
0.00032518 0.00050217 -0.00075611
0.01648298 0.00579237 0.02191097
-6.22613385 -4.82920858 3.02631323
0.00006624 0.00015751 -0.00042488
-0.00842561 -0.00187959 -0.00326485
2.66820142 0.05951737 7.08996798
0.00056774 -0.00027315 0.00039542
-0.00939618 -0.00462918 0.04041378
1.62188730 1.75198234 9.23091651
0.00018286 -0.00036850 0.00022233
-0.01180108 0.02976774 0.00890747
-30.33976646 -0.28480155 2.39553760
0.00017392 0.00012174 0.00009960
0.01542223 -0.01528799 0.00186917
-32.84386796 1.00049854 2.92546089
-0.00044939 -0.00111622 -0.00035162
0.03396907 0.01591905 -0.00256599
15.42095687 12.19957672 -18.28452343
0.00113736 -0.00021554 -0.00010258
0.03143829 0.01652506 0.00779620
18.08247609 12.22578442 -16.93417214
0.00075877 -0.00022064 0.00020094
0.02458683 -0.02343880 0.01516501
-3.04555856 6.88322802 6.27538729
-0.00000036 0.00010871 0.00019663
-0.00019496 -0.00838223 -0.00013008
-3.04177275 5.42896388 3.84886707
-0.00009864 -0.00062461 -0.00052230
0.01116493 0.00249121 -0.03665015
5.78487737 16.48268168 -8.60365056
-0.00017943 0.00053351 -0.00019480
0.00388463 -0.01877928 -0.04156800
7.39312463 18.21254092 -7.05557808
0.00043621 0.00077962 -0.00013836
-0.02084495 -0.01451453 0.00534585
7.59431172 5.59560213 -22.97465860
-0.00059934 -0.00194841 0.00043070
-0.00854618 -0.00089891 0.04542130
8.60434191 6.75511957 -20.39954947
-0.00037213 0.00028772 0.00021522
-0.01005271 -0.00751100 0.00322574
19.18185719 21.01877316 -4.11736537
0.00006261 0.00006610 0.00061722
0.00986162 0.03017561 0.02484730
19.75147033 19.66309671 -6.56695369
-0.00099463 -0.00058398 -0.00086455
-0.01255545 -0.00159248 0.01945446
1.82500813 12.17745427 -20.47630309
-0.00145774 0.00015217 0.00028091
0.01088880 0.01412105 -0.01084705
0.16783706 14.32125286 -21.37023554
-0.00013033 0.00031338 -0.00113008
0.00106886 0.01095898 -0.00704584
10.76652841 -6.66336992 -0.88322040
-0.00084173 -0.00047252 0.00054280
-0.00642406 -0.00047407 0.00576688
9.76348275 -3.95070179 -0.67259748
0.00010141 0.00046581 -0.00127062
-0.01417219 0.01421049 -0.01032190
-18.40457641 -4.97653858 6.90991744
0.00068901 -0.00061921 0.00017094
-0.00130025 0.01452284 -0.01206861
-18.75630421 -5.25051302 4.10415402
0.00025191 -0.00020203 -0.00066869
-0.00328082 0.00809548 -0.00426066
-14.43078398 -0.20674463 19.24516981
0.00062429 -0.00062008 0.00034037
-0.00820381 0.01769363 -0.02719476
-14.05388001 -0.42595944 22.10380892
0.00001805 0.00001971 0.00076613
-0.00492893 -0.00411068 -0.00048645
1.43134742 3.46371465 -2.09645479
-0.00078231 -0.00078699 -0.00070033
0.00662282 -0.01340443 -0.01279436
2.02894189 2.12867018 -4.72920122
0.00035821 -0.00011163 -0.00063286
0.00020225 -0.01114363 0.00151458
21.83783436 -10.59345318 -6.13777441
0.00114423 0.00014763 -0.00084865
-0.00419150 -0.00089970 -0.02304723
22.56020329 -9.77264550 -3.64047591
0.00019608 -0.00031083 -0.00060027
0.04129944 0.02816746 0.03322264
4.69524941 -10.33356998 6.98303858
-0.00066588 0.00004633 -0.00009971
-0.02604886 -0.00538804 0.02240381
2.96603192 -11.78859771 9.03212642
0.00033298 0.00000263 -0.00032241
0.00875792 -0.00644113 0.00699267
-1.98370485 -3.22015312 -20.64441423
-0.00020219 0.00063351 -0.00015153
-0.00582788 -0.01713910 -0.01119366
-3.49810367 -1.62667017 -18.64188871
-0.00037518 -0.00022318 0.00003234
0.02076339 -0.01041282 -0.00760411
0.55114964 5.15347287 -9.76373302
-0.00043725 -0.00026691 0.00039845
-0.01135366 -0.02538194 -0.01233277
-1.89875026 3.47726703 -9.30062775
-0.00013192 0.00035758 0.00175082
0.04567805 0.00476216 -0.02631995
-3.60772043 14.99622459 15.68806278
-0.00011339 0.00130644 0.00016963
-0.02369329 -0.01135440 -0.02758509
-6.48289074 14.70195710 15.64470806
-0.00019896 0.00077762 -0.00062469
0.01309910 -0.00369777 -0.02220568
-6.79367893 1.94583420 -6.24313993
0.00014086 0.00037496 -0.00053007
0.00793809 -0.00573405 -0.00425027
-4.90728657 1.26473504 -8.44069272
0.00052695 -0.00004980 0.00038741
-0.01264200 0.00931354 0.00741896
-10.22205060 -0.54765478 -3.36847546
-0.00004752 -0.00071202 0.00013826
0.00329256 -0.00257600 -0.01097144
-9.35626334 2.09970163 -2.93038527
-0.00110810 0.00019969 0.00135798
0.00719905 0.00900237 -0.00467685
2.80730630 29.11958675 5.03838027
0.00108703 0.00029693 0.00001586
-0.00582257 -0.00019915 -0.00954499
3.46714774 28.07840620 7.62414075
-0.00002192 -0.00001970 0.00043107
-0.01577224 -0.02423336 -0.03890643
8.32059602 -10.33446530 -1.23952029
-0.00073538 -0.00091353 0.00092295
-0.03007293 0.00688246 0.00952803
10.97370934 -11.13465609 0.00862214
0.00005518 0.00048497 0.00035567
-0.02170572 -0.00039958 -0.01062546
-5.27821140 0.05969396 8.91850127
-0.00049360 0.00099777 -0.00010988
0.01457449 -0.02050094 -0.00722870
-8.21497589 -0.17677712 9.29424058
-0.00036913 0.00076363 -0.00029740
0.01758239 0.00741891 -0.00184941
20.47393613 11.05311958 8.72525707
-0.00055818 0.00012466 -0.00030086
-0.00161485 -0.00018630 0.04584876
22.03171740 11.37194069 6.53928607
-0.00088588 -0.00119588 -0.00057333
0.05484338 0.01584704 -0.01511355
-2.83335998 0.44083550 -21.96258952
-0.00002465 -0.00134556 0.00026211
-0.00470929 0.01170454 -0.05383975
-4.83181563 1.05929917 -24.11225138
-0.00117824 0.00021810 -0.00039036
-0.04063646 0.00187853 -0.00310043
-12.71331174 9.50208760 9.73981865
-0.00004959 0.00036709 -0.00000012
0.01696748 0.01213114 0.01349028
-13.64809370 9.83311221 7.07138759
0.00056851 -0.00054341 -0.00082636
-0.00317617 0.00436473 -0.00399053
-13.95213908 5.05335876 -4.72623112
-0.00095732 -0.00051235 0.00022426
-0.00540658 -0.00620058 0.00186611
-14.22538327 7.67352041 -3.56825452
0.00070006 0.00074178 -0.00077613
-0.00746622 0.02327977 -0.00771469
-4.05936931 -15.60807213 20.13500889
0.00015068 0.00002182 0.00011871
0.01390495 0.00534197 0.01090309
-1.53318279 -16.59931464 19.50880835
-0.00011681 -0.00019765 0.00035092
0.01015989 -0.01111808 -0.01154984
-6.00438183 5.84305926 -7.45862535
0.00112078 0.00010388 0.00060577
0.00787051 0.00599299 -0.01588517
-7.34055911 8.36058811 -7.10489414
-0.00048268 -0.00086592 0.00043282
0.01392422 0.00943057 -0.01271912
-21.15822808 29.67427251 0.21821157
0.00026977 -0.00118403 0.00102295
-0.01737866 -0.01775385 -0.01207203
-18.29479837 29.41982532 1.28195770
0.00055343 0.00013277 -0.00095974
0.00223633 -0.01136476 -0.00951579
9.27043403 2.75759985 6.39721867
0.00062599 -0.00022820 0.00044274
0.00566651 0.03154582 0.03641890
9.09210313 5.56029070 8.01221429
-0.00014959 0.00000259 -0.00035134
0.01240507 -0.03121343 -0.00975857
8.22922566 17.37263851 -12.23932361
-0.00042018 0.00083636 -0.00046861
0.00351135 0.00491661 -0.00090837
8.39647183 14.55202071 -11.83502246
0.00073322 0.00078847 -0.00080628
-0.02126850 0.01677127 0.00096976
12.20567112 5.96535958 -1.34349506
-0.00126930 0.00023942 0.00068329
-0.02224415 0.01016429 0.00277307
13.87398947 4.20078561 0.41147972
-0.00044061 -0.00019010 -0.00058356
-0.00887844 0.00849451 -0.01321079
-4.23400290 11.18131378 -1.95454856
-0.00056517 0.00031306 -0.00018485
0.00243876 -0.00246830 -0.01247822
-6.76738707 10.59790405 -0.80178539
-0.00134537 0.00093654 -0.00032074
-0.01642585 -0.01382774 0.02183703
7.28488371 14.30111690 4.49457876
0.00046089 -0.00075529 0.00076770
0.00590403 -0.00806556 0.00447969
8.99480398 12.05289003 4.00208134
0.00056255 0.00006729 -0.00046134
0.03774703 -0.02276078 -0.04052397
20.49585554 -12.91543679 -8.94331789
-0.00015126 -0.00104488 0.00067943
-0.02808399 -0.01565028 0.01447026
23.32001615 -12.34923942 -8.58530344
-0.00083567 0.00013665 -0.00057096
-0.00516052 -0.00493063 -0.00699047
19.88712768 -4.90571329 -2.76093837
0.00071487 0.00012740 0.00040735
-0.00148788 0.00927881 -0.00720032
18.38543343 -6.88363392 -1.43122085
-0.00011945 0.00001994 0.00058585
-0.03194552 -0.01994488 -0.00001900
13.80601749 9.55510772 8.53878106
0.00044122 0.00034578 0.00034734
-0.00688010 0.00716705 0.00149029
14.98118043 7.82893330 10.56804660
0.00025382 -0.00063588 -0.00054463
-0.00031979 0.00158961 -0.01221997
2.94935217 -15.21782430 17.33424090
-0.00003997 -0.00080334 -0.00036089
0.01200588 0.02512882 -0.00960818
3.87757057 -12.20147866 17.33504670
-0.00072361 0.00052545 -0.00109226
-0.00458920 -0.01483354 0.00052047
-2.77462990 -3.91796945 -12.65735101
0.00007239 -0.00026492 0.00051883
0.00572997 0.00993346 -0.00233940
-1.26540485 -1.36249264 -13.11892269
0.00022248 -0.00006210 -0.00031709
0.03020106 0.00702982 0.00947004
16.15467607 -7.81857936 -14.79733891
0.00042977 0.00035731 -0.00043171
0.00601954 -0.00355799 -0.01534071
16.53046949 -8.10356680 -11.89086835
0.00056310 -0.00101458 -0.00066147
0.01811162 -0.00872312 0.01913303
7.89441161 -3.92223005 6.51453542
-0.00036936 0.00032476 -0.00017909
-0.03925023 -0.00631894 -0.02318014
10.60132430 -3.97234554 5.21881585
-0.00024539 -0.00065762 0.00013674
-0.00990103 -0.00218349 -0.00027845
-21.12540810 0.98656826 25.09671976
0.00097218 -0.00037739 -0.00002763
-0.02551286 -0.01090082 0.00428567
-19.13407823 2.98198944 25.83533774
0.00033618 -0.00001720 0.00010743
-0.00717492 -0.01301610 -0.00303903
25.33649055 -2.74325706 -7.29534321
0.00002009 -0.00001150 0.00034831
0.02162218 -0.02859311 0.00922103
24.04292756 -1.09686589 -9.16778429
-0.00171248 0.00036395 0.00041149
0.00072888 0.00968950 -0.00512036
11.64819503 -9.95028629 -9.42173084
-0.00004003 0.00034488 0.00007118
0.00982692 -0.00228382 0.00457565
12.83269885 -9.34219221 -12.10031120
0.00031416 -0.00061453 0.00017012
-0.00495228 0.00005297 0.01043281
-7.55740801 -10.57434114 17.72025796
0.00150465 0.00015478 0.00032712
-0.00303567 -0.00456650 -0.01448812
-10.24472757 -11.32952729 17.66381633
0.00019482 0.00097933 -0.00002465
-0.00536057 0.00733594 -0.00709125
7.93917577 2.05967906 -29.32119350
0.00015896 -0.00032617 0.00023993
-0.00193111 -0.01241534 0.01414186
5.44871015 0.70546130 -28.78162311
0.00022111 0.00008050 0.00114507
-0.00025608 0.00412324 0.00903941
14.32425934 19.20837389 13.45689346
0.00033407 0.00047817 0.00023620
0.01614898 0.00853719 0.01832221
13.04432896 17.83142394 11.51645018
0.00050849 -0.00053091 -0.00106586
-0.01122139 -0.00157668 0.00111392
27.77207783 7.66873840 -11.67509474
-0.00044896 -0.00006588 0.00033165
0.01320640 0.00362819 -0.00798346
26.24424912 7.67950076 -9.24569032
-0.00070576 -0.00016898 0.00055906
-0.00190121 -0.00035813 -0.00302637
-7.92714106 4.67263172 6.08775707
0.00012980 0.00012932 0.00005774
-0.00025275 -0.00800686 0.00360381
-10.47932313 9.19416687 2.91172920
0.00014900 -0.00006394 0.00010530
0.01475282 -0.00434773 0.01257877
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.07629531
0.28165352
375.28919231
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0593750000
ExchangeOperator: pair fraction: ispin=0: 0.1471281774
ExchangeOperator: bisection time: 1.422 s
total exchange = -52.3887019760 (a.u.)
total exchange computation time: 2.8395729065 s
-154.2352341243
-931.35928120
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0593750000
ExchangeOperator: pair fraction: ispin=0: 0.1471281774
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3879249512 (a.u.)
total exchange computation time: 2.8399779797 s
-154.2418541531
Anderson extrapolation: theta=1.3250595140 (1.3250595140)
-931.35953109
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0593750000
ExchangeOperator: pair fraction: ispin=0: 0.1471281774
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3868210405 (a.u.)
total exchange computation time: 2.8393750191 s
-154.2509698224
Anderson extrapolation: theta=0.0465691766 (0.0465691766)
-931.35967573
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0593750000
ExchangeOperator: pair fraction: ispin=0: 0.1471281774
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3867074839 (a.u.)
total exchange computation time: 2.8429210186 s
-154.2517610529
Anderson extrapolation: theta=1.8246199627 (1.8246199627)
-931.35968056
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0593750000
ExchangeOperator: pair fraction: ispin=0: 0.1471281774
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3864741079 (a.u.)
total exchange computation time: 2.8374938965 s
-154.2533430306
Anderson extrapolation: theta=0.2213738243 (0.2213738243)
-931.35968539
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0593750000
ExchangeOperator: pair fraction: ispin=0: 0.1471281774
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3864101277 (a.u.)
total exchange computation time: 2.8389329910 s
-154.2537384843
Anderson extrapolation: theta=1.9924182908 (1.9924182908)
-931.35968638
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0593750000
ExchangeOperator: pair fraction: ispin=0: 0.1471281774
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.3862949296 (a.u.)
total exchange computation time: 2.8403789997 s
-154.2544035352
Anderson extrapolation: theta=0.3065550658 (0.3065550658)
-931.35968779
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0593750000
ExchangeOperator: pair fraction: ispin=0: 0.1471281774
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3862747641 (a.u.)
total exchange computation time: 2.8389439583 s
-154.2544705496
Anderson extrapolation: theta=1.3035840709 (1.3035840709)
-931.35968819
18.716731 28.161193 -212.221030
562.693585 1075.129678 -404.498281
581.410316 1103.290871 -616.719312
1391.269711
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0593750000
ExchangeOperator: pair fraction: ispin=0: 0.1471281774
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3862623312 (a.u.)
total exchange computation time: 2.8397898674 s
679.00689739
-1084.41751357
89.84966949
-388.58275914
-174.82972043
78.62413315
551.60419304
0.00000000
-931.35968857
4.59413283 -30.85089664 -3.55399499
-0.00007070 -0.00015308 0.00009769
0.00038773 0.01071240 0.02097527
-11.92060317 2.06278921 -9.43012046
0.00032163 0.00002863 0.00019820
-0.05882213 0.01130479 -0.01141974
-36.19153321 1.26700852 3.13031498
-0.00009013 0.00015834 0.00003773
-0.02007397 0.01579939 -0.01215500
-7.48674046 -3.58002123 2.56430786
0.00005974 0.00017409 0.00017019
-0.01586552 -0.00929751 -0.01741625
2.25329967 0.11612966 8.96586619
0.00001981 0.00003606 0.00003872
0.01885348 -0.03285564 -0.04535423
-30.94936938 1.39276255 2.71848370
-0.00008515 0.00024847 -0.00015659
-0.05206179 0.00469000 0.00408116
16.98270832 13.23674494 -17.93272505
-0.00033495 -0.00010683 -0.00059291
-0.04585387 0.00390377 -0.02038475
-3.42734420 5.22083170 5.55310282
0.00002227 -0.00020084 0.00003458
-0.00849454 0.00993795 0.02862102
5.82373094 17.16903450 -6.97332011
-0.00020396 -0.00033621 0.00005342
0.02647799 0.03870717 0.03538151
7.20324190 5.66162203 -20.96731812
0.00030122 0.00023051 -0.00003474
0.00563092 0.00293510 -0.04255202
18.60706220 19.64162815 -5.08750482
0.00000998 0.00005247 -0.00012039
0.01031251 -0.03115420 -0.04428473
1.94042234 13.92405069 -21.14390593
0.00019004 0.00011554 -0.00022948
-0.00961231 -0.02237880 0.01921824
10.30418154 -5.35885980 0.33972408
0.00020324 0.00004750 0.00037464
0.01864231 -0.01243129 -0.00224304
-18.30353295 -3.96819330 5.34076353
0.00040211 -0.00027794 -0.00001447
0.00569201 -0.03020812 0.01745794
-14.21047415 -1.40742838 20.55108275
-0.00024008 0.00019022 0.00009045
0.01440977 -0.01595976 0.03380547
1.59917136 3.68550477 -3.91782571
-0.00002134 0.00016108 -0.00014979
-0.00263832 0.02251501 0.00781866
21.27832801 -10.62824492 -4.44114968
-0.00022687 -0.00011726 0.00004557
-0.03613882 -0.01622581 -0.01592830
3.05689742 -10.34048360 7.93813755
0.00011126 -0.00018054 -0.00020453
0.01745676 0.01550016 -0.02923863
-1.85367116 -1.84530716 -19.49619711
-0.00000653 -0.00000039 -0.00021722
-0.01974107 0.03361769 0.01923841
-0.23017519 3.52438985 -10.30809916
-0.00021326 0.00010867 -0.00055007
-0.04096194 0.02378643 0.04310346
-5.02232480 14.62580174 14.46852398
0.00002062 0.00005061 -0.00002008
0.01331151 0.01537763 0.04165842
-5.46985926 2.64384445 -7.34620112
0.00014569 0.00028890 0.00021156
0.00468640 -0.01466634 -0.00287940
-9.18185273 0.74046930 -4.16038849
-0.00003578 0.00018804 0.00000246
-0.01020147 0.00013236 0.02237707
2.92879597 27.48681582 5.84387666
-0.00016226 -0.00019780 -0.00015675
0.01947042 0.03291325 0.05491044
10.01788279 -10.69604471 -1.56509652
-0.00002412 -0.00037763 0.00018659
0.03306647 0.00173493 -0.01242480
-6.77654697 0.99184563 9.22223187
0.00008370 -0.00012650 0.00008136
-0.04002946 0.01831104 0.00748283
20.43432743 10.83151982 6.98678803
-0.00015984 0.00000873 -0.00002194
-0.06317351 -0.02406508 -0.02676102
-3.09529010 1.10247170 -23.83371995
0.00018578 0.00004248 -0.00015697
0.03139032 -0.01679017 0.05778648
-13.84862593 8.79657787 8.54733488
0.00045868 0.00010396 0.00024018
-0.01811160 -0.02564931 -0.00988163
-13.46241233 6.08298975 -3.30224665
-0.00018671 -0.00012318 -0.00007014
0.00865179 -0.01116187 -0.00406931
-2.27328026 -15.36349016 20.58501767
-0.00024781 -0.00010276 -0.00013410
-0.02637510 0.00409367 0.00452046
-5.99303606 7.57933065 -8.13758797
-0.00001135 0.00037964 0.00033911
-0.01747611 -0.00757085 0.01781349
-19.78564518 30.43373072 1.04110784
0.00020205 -0.00014840 -0.00027221
0.01840348 0.03247149 0.02356689
9.87142061 3.78809204 7.94357957
-0.00012482 0.00005014 0.00000063
-0.01618983 0.00345726 -0.03083800
7.17023950 15.98890598 -11.71454364
0.00003434 0.00013853 0.00023888
0.01998383 -0.02234504 -0.00045399
13.78239208 5.15792937 -1.19146246
-0.00015378 -0.00038353 -0.00006281
0.02312049 -0.01814523 0.00260136
-6.03779676 11.44727961 -2.17385297
-0.00014506 0.00001735 0.00028337
0.03158303 0.01937161 0.00671095
7.92066707 12.72032916 5.19819476
-0.00029086 -0.00021898 0.00025840
-0.03718269 0.02739188 0.02680080
21.85770468 -12.04546398 -9.66320553
-0.00026646 0.00022149 0.00016855
0.01178092 0.01664233 -0.00692539
19.87674027 -5.96650507 -1.27187060
-0.00022766 0.00008030 0.00034209
0.02904937 0.01500758 0.01440659
14.67263248 7.99738209 8.72745531
0.00027361 0.00008153 0.00027782
0.01294548 -0.01038409 0.01257020
3.79942736 -13.79482538 16.38818877
0.00001824 0.00013055 0.00021072
-0.00662143 -0.01704625 0.00340017
-2.54346178 -2.44455745 -13.72273629
-0.00002004 0.00014666 0.00008197
-0.03702803 -0.01998781 -0.00531152
15.52189754 -7.36518204 -13.15876702
-0.00010307 0.00005823 -0.00001541
-0.02352376 0.01184747 0.00191272
9.61855842 -3.65206231 6.71528401
0.00041490 -0.00021837 -0.00012872
0.04107080 0.01364846 0.01948684
-19.41044445 1.38420273 24.90179346
-0.00011227 0.00004369 0.00000247
0.03974310 0.02188610 -0.00305447
24.34459773 -1.26181358 -7.38202299
-0.00027910 0.00019868 -0.00014603
-0.01763128 0.02152970 -0.00006186
11.65589929 -10.46607514 -11.17994162
-0.00002477 -0.00014147 -0.00041771
-0.00575542 0.01352812 -0.00233728
-8.93634000 -10.81937546 16.46651538
0.00015229 0.00015799 0.00006823
-0.00681226 -0.00387092 -0.00003694
6.79574666 1.58952735 -27.86547031
0.00021801 -0.00002832 -0.00011428
0.00955504 0.00622408 -0.02527342
12.63432094 18.79515496 13.02455728
-0.00014844 -0.00020491 -0.00016694
0.00355933 -0.01424101 -0.02325609
26.06263360 7.52306946 -11.08609737
-0.00008775 0.00009540 -0.00004505
-0.00414444 -0.00448423 0.01344862
5.26354707 -29.53584007 -4.66326523
-0.00024875 -0.00069818 -0.00034071
-0.00012746 -0.00023505 -0.00290870
4.26162480 -29.95784349 -1.93196465
0.00001022 0.00080228 -0.00028765
-0.00344694 -0.01731453 -0.01765530
-10.25833133 1.89613827 -8.98342081
0.00044614 0.00073078 0.00036907
0.05143329 -0.00558919 0.01284067
-12.01793296 2.73424757 -11.15513162
0.00050661 -0.00021833 -0.00014389
0.00111066 -0.00294896 -0.00031409
-37.03053046 2.78352740 2.19521208
-0.00038434 0.00079147 0.00051933
0.02349795 -0.01124398 0.01913192
-37.64187817 0.39931842 3.83757563
0.00110949 0.00066468 0.00000865
0.00221950 -0.00522697 -0.00198271
-8.77127652 -4.37354590 1.37281169
0.00039332 0.00052631 -0.00066468
0.01687002 0.00602500 0.02284154
-6.22539845 -4.82690352 3.01984001
0.00003343 0.00014828 -0.00043751
-0.00763514 -0.00263717 -0.00291600
2.67642966 0.05527827 7.09713774
0.00052924 -0.00029122 0.00055753
-0.00945311 -0.00421463 0.03893808
1.62426852 1.74736699 9.23452438
0.00013267 -0.00024095 0.00025879
-0.01276547 0.03266964 0.00894196
-30.33668507 -0.28344393 2.39708887
0.00023701 0.00006222 0.00010774
0.01546001 -0.01384636 0.00211746
-32.84956790 0.98424306 2.92010795
-0.00030620 -0.00104782 -0.00036204
0.03612289 0.01756293 -0.00253486
15.43898068 12.19685004 -18.28582319
0.00125278 -0.00015541 -0.00007380
0.02505803 0.01290884 0.00629196
18.09461106 12.22175651 -16.93069336
0.00084727 -0.00030445 0.00025180
0.01873309 -0.01758309 0.00973411
-3.04556995 6.88460188 6.27833271
-0.00000183 0.00007028 0.00019291
-0.00052302 -0.01042929 -0.00169183
-3.04291026 5.41967109 3.83990956
-0.00005520 -0.00061473 -0.00066132
0.01009832 0.00234583 -0.03140224
5.78230502 16.49010882 -8.60784638
-0.00016339 0.00045652 -0.00036550
0.00396317 -0.01890392 -0.04198689
7.39902907 18.22379050 -7.05748974
0.00033970 0.00071207 -0.00011590
-0.02640125 -0.01855398 0.00565197
7.58505980 5.56634848 -22.96680628
-0.00063126 -0.00194642 0.00061331
-0.00707970 0.00187220 0.04396816
8.59845198 6.75920515 -20.39622228
-0.00040845 0.00025999 0.00022761
-0.00772810 -0.00606237 0.00284016
19.18309851 21.02068929 -4.10734571
0.00010160 0.00018316 0.00071242
0.00922665 0.02712845 0.02175264
19.73616620 19.65428816 -6.57932578
-0.00104456 -0.00058841 -0.00078366
-0.01188548 -0.00057469 0.02013888
1.80347565 12.18016955 -20.47242182
-0.00141082 0.00021216 0.00023547
0.01208119 0.01524150 -0.01139590
0.16591492 14.32628942 -21.38740262
-0.00011929 0.00035800 -0.00115845
0.00433245 0.01088041 -0.00684092
10.75370560 -6.67047219 -0.87490162
-0.00086723 -0.00047521 0.00056649
-0.00605896 -0.00084527 0.00582519
9.76456963 -3.94327914 -0.69197314
0.00004877 0.00050925 -0.00130089
-0.01159821 0.00705101 -0.00449190
-18.39428118 -4.98538170 6.91211179
0.00068342 -0.00055845 0.00011764
-0.00143420 0.01521985 -0.01402619
-18.75262610 -5.25329543 4.09399309
0.00024008 -0.00016528 -0.00068091
-0.00250868 0.00989630 -0.00172218
-14.42167107 -0.21550368 19.24944206
0.00058954 -0.00053789 0.00022030
-0.00880512 0.02253773 -0.03158316
-14.05376024 -0.42578975 22.11528590
-0.00000295 0.00000026 0.00075764
-0.00535479 -0.00541274 -0.00366689
1.41981570 3.45149899 -2.10735174
-0.00075584 -0.00084151 -0.00074657
0.00633591 -0.01327938 -0.00984340
2.03432120 2.12665425 -4.73864766
0.00035653 -0.00014923 -0.00062328
-0.00102301 -0.00726009 0.00317151
21.85486944 -10.59126636 -6.15121037
0.00111823 0.00014304 -0.00092208
-0.00853793 -0.00134355 -0.01290004
22.56440996 -9.77644474 -3.64846192
0.00036457 -0.00019608 -0.00046296
0.04117992 0.02799897 0.03399252
4.68446301 -10.33304014 6.98222943
-0.00076384 0.00002418 -0.00001268
-0.02190406 -0.00545547 0.02020053
2.97129502 -11.78875558 9.02750459
0.00036857 -0.00002618 -0.00029175
0.00866047 -0.00766290 0.00801577
-1.98691625 -3.21117559 -20.64703019
-0.00022625 0.00055654 -0.00020256
-0.00594953 -0.02053861 -0.01378530
-3.50309514 -1.63033697 -18.64163660
-0.00028579 -0.00026579 -0.00000077
0.02299322 -0.01044454 -0.00860410
0.54424297 5.14869150 -9.75813412
-0.00048052 -0.00036808 0.00034732
-0.00982785 -0.02414431 -0.01269619
-1.89932931 3.48277664 -9.27517192
0.00006126 0.00037509 0.00163608
0.04888289 0.00380722 -0.02984998
-3.61014735 15.01547325 15.68976192
-0.00021210 0.00125870 0.00005550
-0.02462717 -0.01201678 -0.02828072
-6.48547374 14.71350803 15.63465731
-0.00014758 0.00076216 -0.00071318
0.01205009 -0.00386871 -0.02111314
-6.79132284 1.95128291 -6.25122118
0.00016844 0.00034974 -0.00054259
0.00556295 -0.00661253 -0.00188016
-4.89976973 1.26427347 -8.43465423
0.00047454 -0.00000888 0.00041941
-0.01301045 0.01071545 0.00824265
-10.22266254 -0.55841401 -3.36673773
-0.00002795 -0.00071534 0.00008867
0.00628800 0.00095015 -0.01330352
-9.37266424 2.10297282 -2.91015895
-0.00107640 0.00022705 0.00132865
0.00831760 0.00438886 -0.00967727
2.82343331 29.12403460 5.03832569
0.00106344 0.00029190 -0.00002190
-0.00572350 -0.00226148 -0.00893934
3.46633567 28.07736811 7.62941460
-0.00008786 -0.00012061 0.00026786
-0.01650686 -0.02516377 -0.04098422
8.30864382 -10.34795729 -1.22538407
-0.00084439 -0.00088849 0.00095871
-0.02328974 0.00537232 0.00797523
10.97387184 -11.12739374 0.01363163
-0.00003258 0.00048243 0.00031228
-0.02125236 -0.00084294 -0.01061755
-5.28516874 0.07403228 8.91663151
-0.00042038 0.00090401 -0.00014239
0.02126446 -0.02539311 -0.00868461
-8.21997411 -0.16509535 9.28972284
-0.00029842 0.00079054 -0.00030486
0.01703370 0.00575595 -0.00180144
20.46551398 11.05498374 8.72214913
-0.00056360 0.00012497 -0.00011044
-0.00103915 0.00033843 0.04736398
22.02010973 11.35448815 6.53022302
-0.00064706 -0.00112670 -0.00063860
0.06206133 0.01801663 -0.01683677
-2.83387402 0.42101083 -21.96030764
-0.00004425 -0.00129482 0.00003846
-0.00488692 0.01312874 -0.05564103
-4.85073450 1.06262830 -24.11820181
-0.00131680 0.00022642 -0.00039847
-0.02718614 0.00219129 -0.00086901
-12.71353562 9.50796575 9.74023018
0.00002334 0.00041932 0.00005793
0.01872979 0.01343299 0.01492755
-13.63966335 9.82509486 7.05886998
0.00055510 -0.00052994 -0.00083469
-0.00338674 0.00222656 -0.00008975
-13.96666461 5.04548355 -4.72281011
-0.00097823 -0.00053515 0.00023387
-0.00482742 -0.00496382 0.00284043
-14.21511122 7.68536054 -3.58013288
0.00067358 0.00082745 -0.00080550
-0.00549247 0.01865166 -0.00666002
-4.05668299 -15.60758115 20.13712360
0.00020116 0.00004256 0.00016144
0.01080402 0.00481163 0.01001514
-1.53462364 -16.60262004 19.51371823
-0.00007485 -0.00024435 0.00030254
0.01037870 -0.01174327 -0.01213444
-5.98732890 5.84480112 -7.45002555
0.00115254 0.00013262 0.00053897
0.00767422 0.00807685 -0.01681476
-7.34737255 8.34788836 -7.09879153
-0.00042710 -0.00082553 0.00038163
0.01328091 0.01033804 -0.01234128
-21.15471404 29.65596804 0.23318587
0.00019632 -0.00125753 0.00097260
-0.01857843 -0.01822340 -0.01257339
-18.28642835 29.42146861 1.26727003
0.00056179 0.00008734 -0.00099778
0.00185596 -0.01087309 -0.00910557
9.27999751 2.75514350 6.40497583
0.00064712 -0.00010114 0.00058767
0.00467731 0.03065278 0.03452135
9.09023936 5.55937310 8.00664521
-0.00009933 -0.00012364 -0.00039042
0.01220018 -0.03057966 -0.00937162
8.22303061 17.38533460 -12.24638062
-0.00041030 0.00085077 -0.00046980
0.00132369 0.00213471 0.00032742
8.40681843 14.56436164 -11.84708691
0.00064592 0.00085591 -0.00080145
-0.02146566 0.01624111 0.00139573
12.18595005 5.96926240 -1.33316073
-0.00133992 0.00027125 0.00069536
-0.01232643 0.00541576 0.00313409
13.86710833 4.19819446 0.40232154
-0.00047531 -0.00015949 -0.00063016
-0.00811039 0.00648718 -0.00960043
-4.24240571 11.18593399 -1.95770374
-0.00054867 0.00030059 -0.00023291
0.00563899 -0.00363245 -0.01104327
-6.78807092 10.61152846 -0.80592736
-0.00141329 0.00087687 -0.00022659
-0.01682159 -0.01538323 0.02425318
7.29197791 14.28954034 4.50623155
0.00047935 -0.00077551 0.00078107
0.00313553 -0.00182837 0.00206510
9.00439897 12.05320199 3.99391940
0.00070435 -0.00001793 -0.00061179
0.03166309 -0.01895679 -0.03311870
20.49272608 -12.93158963 -8.93268307
-0.00025515 -0.00110109 0.00073178
-0.02277191 -0.01186184 0.01115710
23.30732294 -12.34734080 -8.59408200
-0.00084496 0.00011460 -0.00059262
0.00061591 -0.00586402 -0.00361443
19.89780509 -4.90351795 -2.75504874
0.00070731 0.00016392 0.00037788
-0.00221095 0.00859694 -0.00722580
18.38266275 -6.88394593 -1.42243375
-0.00025001 -0.00006063 0.00058442
-0.03196418 -0.01949849 -0.00067945
13.81242501 9.56051402 8.54403680
0.00041450 0.00037229 0.00035445
-0.00620283 0.00580962 0.00198999
14.98497796 7.81944381 10.55950276
0.00025352 -0.00062909 -0.00058501
0.00017300 0.00173569 -0.00754999
2.94912048 -15.22910441 17.32853306
0.00001052 -0.00069571 -0.00040007
0.01271140 0.02755688 -0.00956666
3.86657582 -12.19405139 17.31867877
-0.00074258 0.00046773 -0.00108536
-0.00469650 -0.01342286 0.00285506
-2.77336840 -3.92163890 -12.64964021
0.00009687 -0.00021741 0.00050419
0.00624895 0.01332452 -0.00482661
-1.26114217 -1.36320877 -13.12338879
0.00034646 -0.00003303 -0.00027817
0.03048942 0.00720109 0.00957725
16.16130710 -7.81332869 -14.80428462
0.00045019 0.00034529 -0.00048812
0.00397718 -0.00232570 -0.01227583
16.53947093 -8.11905284 -11.90020418
0.00063217 -0.00104665 -0.00058779
0.01569904 -0.00697602 0.01693695
7.88766845 -3.91755224 6.51113879
-0.00051503 0.00030168 -0.00027196
-0.03205629 -0.00498004 -0.02227909
10.59734006 -3.98227678 5.22085849
-0.00028103 -0.00066796 0.00012870
-0.00754481 -0.00287641 -0.00365819
-21.11160717 0.98057345 25.09643663
0.00085095 -0.00042521 -0.00000765
-0.03383311 -0.01250901 0.00549461
-19.12925536 2.98133266 25.83685600
0.00030541 -0.00007109 0.00009484
-0.00788778 -0.01336394 -0.00312332
25.33745443 -2.74430573 -7.28983593
0.00010382 -0.00012163 0.00038329
0.01936453 -0.02531590 0.00789915
24.01726265 -1.09110969 -9.16176886
-0.00170855 0.00040213 0.00038689
0.00119763 0.00900074 -0.00691892
11.64789577 -9.94518310 -9.42052290
-0.00000013 0.00033229 0.00008128
0.00970124 -0.00387735 0.00036967
12.83725943 -9.35140849 -12.09743968
0.00029640 -0.00061136 0.00020969
-0.00374149 0.00149678 0.00893850
-7.53493125 -10.57215937 17.72472074
0.00148165 0.00013392 0.00026082
-0.00822527 -0.00564657 -0.01796622
-10.24196956 -11.31461252 17.66322929
0.00017087 0.00100793 -0.00005017
-0.00636073 0.00666246 -0.00539944
7.94150099 2.05440606 -29.31716123
0.00015262 -0.00037601 0.00029387
-0.00116994 -0.01197905 0.01226264
5.45201901 0.70679516 -28.76417004
0.00021394 0.00009329 0.00117599
-0.00325370 0.00213574 0.00609590
14.32976520 19.21580808 13.46099797
0.00038750 0.00050932 0.00030657
0.01000525 0.00670911 0.01612221
13.05161246 17.82341191 11.50049641
0.00046062 -0.00052901 -0.00104816
-0.01221337 0.00250759 0.00755246
27.76574818 7.66786135 -11.67036462
-0.00038791 -0.00005045 0.00029765
0.01667488 0.00392411 -0.00865859
26.23360439 7.67695512 -9.23739722
-0.00071317 -0.00017057 0.00053993
-0.00172267 -0.00042125 -0.00633392
-7.92519468 4.67455007 6.08863291
0.00012970 0.00012647 0.00005902
-0.00032056 -0.00792279 0.00351722
-10.47706246 9.19320022 2.91333056
0.00015242 -0.00006496 0.00010822
0.01473538 -0.00441917 0.01264061
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.07639994
0.28328863
377.46790115
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0598110465
ExchangeOperator: pair fraction: ispin=0: 0.1485127096
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.3774405350 (a.u.)
total exchange computation time: 2.8896930218 s
-154.1911877381
-931.36141859
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0598110465
ExchangeOperator: pair fraction: ispin=0: 0.1485127096
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.3767597621 (a.u.)
total exchange computation time: 2.8905470371 s
-154.1969943752
Anderson extrapolation: theta=1.3470023783 (1.3470023783)
-931.36166755
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0598110465
ExchangeOperator: pair fraction: ispin=0: 0.1485127096
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3757572846 (a.u.)
total exchange computation time: 2.8916289806 s
-154.2052933951
Anderson extrapolation: theta=0.0534535241 (0.0534535241)
-931.36181653
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0598110465
ExchangeOperator: pair fraction: ispin=0: 0.1485127096
ExchangeOperator: bisection time: 1.422 s
total exchange = -52.3756348137 (a.u.)
total exchange computation time: 2.8892481327 s
-154.2061888965
Anderson extrapolation: theta=2.0020866843 (2.0000000000)
-931.36182256
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0598110465
ExchangeOperator: pair fraction: ispin=0: 0.1485127096
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3753677331 (a.u.)
total exchange computation time: 2.8908598423 s
-154.2080953118
Anderson extrapolation: theta=0.2391788108 (0.2391788108)
-931.36182935
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0598110465
ExchangeOperator: pair fraction: ispin=0: 0.1485127096
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.3752975259 (a.u.)
total exchange computation time: 2.8923640251 s
-154.2085553310
Anderson extrapolation: theta=1.8857067086 (1.8857067086)
-931.36183083
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0598110465
ExchangeOperator: pair fraction: ispin=0: 0.1485127096
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3751834635 (a.u.)
total exchange computation time: 2.8916931152 s
-154.2092516303
Anderson extrapolation: theta=0.2934069453 (0.2934069453)
-931.36183274
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0598110465
ExchangeOperator: pair fraction: ispin=0: 0.1485127096
ExchangeOperator: bisection time: 1.422 s
total exchange = -52.3751694692 (a.u.)
total exchange computation time: 2.8905689716 s
-154.2092837942
Anderson extrapolation: theta=1.3059298010 (1.3059298010)
-931.36183324
18.742074 28.162621 -212.175199
562.672812 1075.121085 -404.522767
581.414885 1103.283706 -616.697966
1391.256478
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0598110465
ExchangeOperator: pair fraction: ispin=0: 0.1485127096
ExchangeOperator: bisection time: 1.421 s
total exchange = -52.3751664666 (a.u.)
total exchange computation time: 2.8344609737 s
678.83511780
-1084.04428199
89.86059813
-388.83787540
-174.80022575
78.41738312
551.60419304
0.00000000
-931.36183368
4.59307380 -30.85315150 -3.55244873
-0.00007065 -0.00014762 0.00010868
-0.00019749 0.01051107 0.02176098
-11.91600565 2.06326222 -9.42719157
0.00029202 0.00003441 0.00019203
-0.05629754 0.01117873 -0.01254025
-36.19296262 1.26944462 3.13083406
-0.00009876 0.00016785 0.00003040
-0.01348059 0.02117095 -0.01637227
-7.48590549 -3.57744569 2.56679350
0.00005136 0.00016949 0.00016101
-0.01672518 -0.00859659 -0.01827835
2.25366959 0.11654384 8.96627208
0.00002956 0.00001869 0.00001606
0.01904774 -0.03468553 -0.04278498
-30.95084749 1.39650771 2.71615062
-0.00011222 0.00024998 -0.00015456
-0.05317379 0.00117882 0.00378912
16.97750718 13.23515750 -17.94169740
-0.00035495 -0.00010519 -0.00060143
-0.03193465 0.00250109 -0.01272842
-3.42704286 5.21785746 5.55373193
0.00001830 -0.00019526 0.00004799
-0.00695991 0.01176992 0.02352335
5.82077374 17.16414072 -6.97238230
-0.00018926 -0.00031556 0.00007119
0.03066032 0.04158147 0.03371786
7.20778185 5.66509103 -20.96800343
0.00030308 0.00023110 -0.00005610
0.00161533 -0.00063824 -0.04049096
18.60725174 19.64229506 -5.08948154
0.00001527 0.00003725 -0.00014217
0.01024152 -0.02802620 -0.04039977
1.94323581 13.92569750 -21.14727401
0.00018399 0.00010397 -0.00021955
-0.01390946 -0.02262456 0.01939748
10.30730200 -5.35819523 0.34533504
0.00021206 0.00004307 0.00037199
0.01566246 -0.00480141 -0.00806633
-18.29747933 -3.97247898 5.34061378
0.00040488 -0.00029398 -0.00000572
0.00507308 -0.03216938 0.01658750
-14.21401970 -1.40463668 20.55256989
-0.00023243 0.00018124 0.00010952
0.01531150 -0.01894826 0.04036806
1.59884103 3.68800782 -3.92004243
-0.00002229 0.00017159 -0.00014708
-0.00103085 0.01833966 0.00271993
21.27478560 -10.63006635 -4.44052752
-0.00024384 -0.00012508 0.00003510
-0.02985914 -0.01420066 -0.02479616
3.05863362 -10.34313191 7.93495679
0.00011893 -0.00017238 -0.00021904
0.01237545 0.01624316 -0.02718155
-1.85384529 -1.84518339 -19.49938118
-0.00001707 0.00001752 -0.00020667
-0.02124290 0.03604367 0.02176566
-0.23353208 3.52611166 -10.31618389
-0.00023533 0.00012066 -0.00052708
-0.04486974 0.02282862 0.04627357
-5.02196412 14.62662021 14.46838343
0.00002792 0.00005866 0.00000101
0.01506716 0.01591771 0.04035142
-5.46765585 2.64812141 -7.34303876
0.00014882 0.00028134 0.00020936
0.00747580 -0.01475358 -0.00568364
-9.18242886 0.74329041 -4.16026529
-0.00004193 0.00018836 0.00001564
-0.01370511 0.00109553 0.02888818
2.92643717 27.48397575 5.84173725
-0.00015212 -0.00018016 -0.00012840
0.01994309 0.03568583 0.05534305
10.01764861 -10.70170251 -1.56234561
-0.00000927 -0.00037618 0.00018058
0.02466948 0.00391736 -0.01095761
-6.77544594 0.99001877 9.22348111
0.00006183 -0.00011546 0.00008556
-0.04498020 0.02460106 0.00887180
20.43168610 10.83155792 6.98635576
-0.00019368 -0.00000397 -0.00003536
-0.06840395 -0.02530132 -0.02545276
-3.09238227 1.10304412 -23.83585159
0.00019847 0.00003345 -0.00012760
0.01796517 -0.01833298 0.05641892
-13.84181565 8.79803838 8.55089951
0.00044903 0.00009097 0.00023384
-0.01940838 -0.02487504 -0.01480320
-13.46517966 6.08109899 -3.30331446
-0.00018300 -0.00012808 -0.00007275
0.00579995 -0.00790806 -0.00606530
-2.27709911 -15.36501580 20.58302357
-0.00026041 -0.00010046 -0.00013145
-0.02264826 0.00486453 0.00577802
-5.99327369 7.58499600 -8.13243261
-0.00001997 0.00037502 0.00034834
-0.01604793 -0.01037948 0.01809645
-19.78254340 30.43162993 1.03711553
0.00021165 -0.00013191 -0.00026019
0.01889892 0.03166469 0.02317905
9.86948592 3.78885749 7.94347000
-0.00013268 0.00005200 -0.00001457
-0.01437582 0.00376566 -0.02824531
7.17083164 15.99089770 -11.71096222
0.00004510 0.00012804 0.00023822
0.02188126 -0.01843233 -0.00209553
13.78017461 5.15210642 -1.19239459
-0.00014462 -0.00039102 -0.00006254
0.01249655 -0.01098811 -0.00154922
-6.03985085 11.44761452 -2.16957658
-0.00012966 0.00002782 0.00028607
0.02832238 0.02135298 0.00378726
7.91616080 12.71715017 5.20217420
-0.00030738 -0.00020772 0.00027065
-0.02707080 0.01639669 0.02082901
21.85375327 -12.04207740 -9.66070392
-0.00026347 0.00022923 0.00016496
-0.00016598 0.01342918 -0.00706334
19.87343743 -5.96524271 -1.26668362
-0.00021289 0.00008790 0.00034956
0.02840272 0.01456014 0.01461731
14.67678662 7.99856496 8.73167116
0.00027989 0.00007659 0.00028281
0.01144598 -0.00883071 0.00681569
3.79967549 -13.79293283 16.39136274
0.00001477 0.00012079 0.00021180
-0.00687115 -0.02091917 0.00079219
-2.54390515 -2.44243472 -13.72152721
-0.00003902 0.00013577 0.00007986
-0.03677836 -0.02233917 -0.00289593
15.52026069 -7.36426296 -13.15899082
-0.00011386 0.00006342 -0.00001462
-0.01841479 0.00836793 0.00115029
9.62494027 -3.65528524 6.71342842
0.00043318 -0.00021154 -0.00011812
0.03002938 0.01292307 0.02173694
-19.41197521 1.38494249 24.90181870
-0.00008990 0.00005531 0.00000056
0.04726415 0.02330370 -0.00434771
24.34034328 -1.25875026 -7.38421363
-0.00028746 0.00020886 -0.00014525
-0.01487591 0.01803925 0.00307997
11.65550554 -10.46814505 -11.18621627
-0.00002802 -0.00013445 -0.00041738
-0.00688952 0.01378978 0.00362601
-8.93408192 -10.81702051 16.46753876
0.00015019 0.00015642 0.00006852
-0.00135192 -0.00225448 0.00115599
6.79905362 1.58912661 -27.86728203
0.00022349 -0.00002472 -0.00012601
0.01175416 0.00777681 -0.02032322
12.63210801 18.79202638 13.02196354
-0.00014476 -0.00021266 -0.00017979
0.01075081 -0.01591328 -0.02674120
26.06130133 7.52448319 -11.08672123
-0.00009067 0.00009307 -0.00003719
-0.00719023 -0.00458749 0.01711049
5.25981190 -29.54631992 -4.66846500
-0.00024804 -0.00069743 -0.00035425
0.00047584 0.00059976 -0.00371777
4.26167252 -29.94633978 -1.93682038
-0.00000376 0.00073018 -0.00035999
-0.00339722 -0.01798323 -0.01775446
-10.25006312 1.90692867 -8.97749135
0.00065156 0.00070900 0.00042062
0.04912129 -0.00507367 0.01239307
-12.01029981 2.73088232 -11.15729957
0.00051077 -0.00023100 -0.00014216
0.00092653 -0.00325631 0.00116217
-37.03557550 2.79505492 2.20358823
-0.00028673 0.00074334 0.00059814
0.02428391 -0.01231767 0.01944575
-37.62516773 0.40912841 3.83764461
0.00110360 0.00063404 0.00000800
-0.00510641 -0.00977108 0.00166684
-8.76485984 -4.36546666 1.36354138
0.00046218 0.00055095 -0.00057027
0.01683887 0.00603657 0.02337656
-6.22513097 -4.82476009 3.01318807
0.00000402 0.00013590 -0.00044862
-0.00676049 -0.00342383 -0.00252366
2.68407855 0.05078086 7.10669386
0.00049103 -0.00030763 0.00071146
-0.00925203 -0.00382050 0.03641183
1.62586739 1.74475384 9.23868028
0.00007966 -0.00010451 0.00029496
-0.01318079 0.03411995 0.00876219
-30.33265620 -0.28293491 2.39876991
0.00029967 0.00000975 0.00011715
0.01521285 -0.01183639 0.00248849
-32.85305400 0.96906395 2.91459965
-0.00015580 -0.00097314 -0.00037218
0.03749993 0.01899109 -0.00242650
15.45854020 12.19491450 -18.28673733
0.00133986 -0.00011177 -0.00005168
0.01757036 0.00845204 0.00453486
18.10789411 12.21665100 -16.92661800
0.00091155 -0.00036419 0.00028026
0.01273522 -0.01166307 0.00419538
-3.04561340 6.88533656 6.28117445
-0.00000445 0.00002427 0.00018310
-0.00076282 -0.01209629 -0.00311013
-3.04342887 5.41052207 3.82902752
-0.00001664 -0.00060560 -0.00077640
0.00877875 0.00212061 -0.02493176
5.77997557 16.49637741 -8.61461542
-0.00014687 0.00038059 -0.00053424
0.00412662 -0.01826858 -0.04061333
7.40331548 18.23390298 -7.05905501
0.00022271 0.00062940 -0.00009225
-0.03086182 -0.02191448 0.00592334
7.57537400 5.53720957 -22.95625932
-0.00065709 -0.00193331 0.00078906
-0.00556449 0.00454436 0.04206536
8.59208843 6.76291919 -20.39272103
-0.00043491 0.00023853 0.00023856
-0.00522580 -0.00444109 0.00251527
19.18490531 21.02426801 -4.09599292
0.00013711 0.00028585 0.00079354
0.00815340 0.02314046 0.01795700
19.72013365 19.64544438 -6.59046363
-0.00109088 -0.00058872 -0.00070119
-0.01079244 0.00042305 0.02023278
1.78268357 12.18381893 -20.46923897
-0.00135923 0.00027584 0.00018815
0.01317075 0.01593344 -0.01176771
0.16425829 14.33199280 -21.40498896
-0.00009513 0.00040216 -0.00118585
0.00749686 0.01073649 -0.00657355
10.74051146 -6.67762626 -0.86622582
-0.00089121 -0.00047948 0.00059024
-0.00567685 -0.00124280 0.00580180
9.76494570 -3.93542437 -0.71162409
0.00000640 0.00052407 -0.00130744
-0.00914132 0.00020649 0.00128596
-18.38407384 -4.99329205 6.91344652
0.00067718 -0.00049558 0.00005741
-0.00161849 0.01555479 -0.01545472
-18.74910174 -5.25547133 4.08372661
0.00023133 -0.00012154 -0.00068301
-0.00177488 0.01151291 0.00069622
-14.41309779 -0.22288148 19.25177870
0.00055284 -0.00043784 0.00008431
-0.00915817 0.02643879 -0.03498252
-14.05396865 -0.42595177 22.12653815
-0.00002563 -0.00002406 0.00073668
-0.00574583 -0.00648996 -0.00659157
1.40867228 3.43846948 -2.11885196
-0.00073067 -0.00089554 -0.00078023
0.00598303 -0.01317205 -0.00663432
2.03963782 2.12419338 -4.74789974
0.00034975 -0.00017077 -0.00060694
-0.00229408 -0.00328342 0.00482897
21.87138126 -10.58916188 -6.16543692
0.00107466 0.00013675 -0.00095494
-0.01279144 -0.00173537 -0.00318547
22.57114040 -9.77852803 -3.65436466
0.00052834 -0.00008486 -0.00032545
0.03898470 0.02644740 0.03331809
4.67233420 -10.33284464 6.98265829
-0.00084301 0.00000190 0.00006411
-0.01684849 -0.00544847 0.01738800
2.97708888 -11.78938307 9.02337402
0.00040369 -0.00005926 -0.00025739
0.00853237 -0.00853227 0.00879990
-1.99049227 -3.20345679 -20.65049101
-0.00025062 0.00046723 -0.00026295
-0.00598105 -0.02318312 -0.01577486
-3.50667744 -1.63464387 -18.64191180
-0.00018876 -0.00030824 -0.00003719
0.02450303 -0.01033699 -0.00922245
0.53673399 5.14243041 -9.75331332
-0.00051685 -0.00046284 0.00029514
-0.00795631 -0.02224270 -0.01284999
-1.89691251 3.48851959 -9.25154549
0.00026505 0.00038851 0.00150809
0.05087239 0.00276451 -0.03280125
-3.61408357 15.03398546 15.68972784
-0.00031316 0.00120864 -0.00006020
-0.02483863 -0.01248763 -0.02835663
-6.48731823 14.72482185 15.62331261
-0.00010148 0.00074611 -0.00079645
0.01051662 -0.00398915 -0.01964952
-6.78862581 1.95632637 -6.25941766
0.00018606 0.00032090 -0.00054529
0.00306419 -0.00750246 0.00056136
-4.89305026 1.26446860 -8.42811057
0.00042107 0.00003698 0.00045404
-0.01316540 0.01173317 0.00871309
-10.22288912 -0.56911502 -3.36581531
0.00000322 -0.00070478 0.00003013
0.00897185 0.00421935 -0.01535211
-9.38855538 2.10651299 -2.89052571
-0.00104016 0.00023629 0.00127948
0.00942437 0.00013765 -0.01439500
2.83920955 29.12834385 5.03772324
0.00104020 0.00027821 -0.00005702
-0.00565519 -0.00443921 -0.00825137
3.46451196 28.07478783 7.63217668
-0.00015612 -0.00022450 0.00009823
-0.01690928 -0.02569013 -0.04205318
8.29526429 -10.36112003 -1.21075907
-0.00092401 -0.00086969 0.00098749
-0.01568600 0.00383310 0.00611375
10.97273187 -11.12018304 0.01799041
-0.00011807 0.00047800 0.00026945
-0.02059633 -0.00132907 -0.01034525
-5.29082285 0.08681434 8.91422951
-0.00032143 0.00079151 -0.00018062
0.02717345 -0.02967929 -0.01002669
-8.22392840 -0.15306082 9.28509469
-0.00023093 0.00081004 -0.00031211
0.01600186 0.00378771 -0.00174554
20.45702814 11.05686863 8.72194395
-0.00056651 0.00012695 0.00008195
-0.00038678 0.00063165 0.04681100
22.01230556 11.33813979 6.52012811
-0.00038433 -0.00105069 -0.00070909
0.06654733 0.01919029 -0.01766954
-2.83468755 0.40199077 -21.96143580
-0.00006433 -0.00123880 -0.00019061
-0.00494185 0.01429681 -0.05648763
-4.87131950 1.06609174 -24.12420550
-0.00140022 0.00023593 -0.00039750
-0.01364994 0.00246255 0.00134541
-12.71261164 9.51466715 9.74155656
0.00010215 0.00047610 0.00012044
0.01984803 0.01436332 0.01567282
-13.63144057 9.81721396 7.04634687
0.00054081 -0.00052505 -0.00082700
-0.00361239 0.00016718 0.00385622
-13.98148599 5.03730413 -4.71921501
-0.00099669 -0.00055273 0.00024752
-0.00421051 -0.00364136 0.00384329
-14.20517579 7.69834376 -3.59241940
0.00065559 0.00089273 -0.00083030
-0.00331291 0.01330409 -0.00548140
-4.05333454 -15.60679528 20.13985210
0.00023783 0.00006097 0.00020019
0.00714788 0.00420114 0.00895319
-1.53542842 -16.60664513 19.51788444
-0.00003270 -0.00029253 0.00025267
0.01025381 -0.01184071 -0.01227690
-5.96980565 5.84703798 -7.44245626
0.00118329 0.00016921 0.00046881
0.00737845 0.00982980 -0.01753101
-7.35337206 8.33582219 -7.09344526
-0.00037475 -0.00078135 0.00033252
0.01234628 0.01128714 -0.01169914
-21.15233861 29.63654672 0.24738959
0.00012020 -0.00133159 0.00092160
-0.01867961 -0.01803208 -0.01239000
-18.27794458 29.42244553 1.25202431
0.00056826 0.00004422 -0.00103417
0.00130917 -0.01023252 -0.00870814
9.28984764 2.75456574 6.41484867
0.00066370 0.00002102 0.00072323
0.00343704 0.02914515 0.03183640
9.08912329 5.55658138 8.00050177
-0.00005041 -0.00024609 -0.00042779
0.01174503 -0.02935764 -0.00892474
8.21691669 17.39816152 -12.25341756
-0.00040934 0.00085372 -0.00046587
-0.00085208 -0.00069098 0.00159546
8.41584948 14.57769793 -11.85906582
0.00055870 0.00092017 -0.00079499
-0.02123155 0.01521364 0.00176635
12.16547354 5.97349713 -1.32263432
-0.00137027 0.00028377 0.00070848
-0.00253103 0.00071093 0.00328722
13.85973013 4.19600088 0.39257498
-0.00050680 -0.00013763 -0.00066114
-0.00730568 0.00421546 -0.00556666
-4.25046294 11.19033157 -1.96153571
-0.00051897 0.00028330 -0.00027498
0.00889806 -0.00483416 -0.00955171
-6.80978570 10.62421010 -0.80858295
-0.00148148 0.00081230 -0.00012492
-0.01655882 -0.01622296 0.02551351
7.29926426 14.27785174 4.51801091
0.00048623 -0.00076917 0.00078412
0.00023203 0.00492732 -0.00057473
9.01593447 12.05235215 3.98372775
0.00081921 -0.00008666 -0.00072974
0.02456257 -0.01468668 -0.02461884
20.48820103 -12.94846944 -8.92136448
-0.00033622 -0.00114074 0.00076991
-0.01691210 -0.00754597 0.00750976
23.29466747 -12.34580156 -8.60308207
-0.00083005 0.00008853 -0.00060009
0.00667960 -0.00689381 -0.00004309
19.90834699 -4.90079574 -2.74960196
0.00069670 0.00019719 0.00034884
-0.00298170 0.00769197 -0.00698840
18.37793312 -6.88545293 -1.41368829
-0.00037781 -0.00013766 0.00058053
-0.03059665 -0.01820420 -0.00122617
13.81845239 9.56627638 8.54941449
0.00039086 0.00039264 0.00036366
-0.00536824 0.00415170 0.00251955
14.98878609 7.81006069 10.55049621
0.00025538 -0.00062189 -0.00060552
0.00073662 0.00178647 -0.00248976
2.94966781 -15.23869565 17.32223891
0.00006322 -0.00057926 -0.00043840
0.01308579 0.02944894 -0.00919655
3.85529325 -12.18744676 17.30248581
-0.00076202 0.00041620 -0.00106895
-0.00481938 -0.01180204 0.00517854
-2.77172393 -3.92449174 -12.64222522
0.00012321 -0.00015713 0.00048010
0.00664620 0.01618115 -0.00696963
-1.25501091 -1.36348357 -13.12726793
0.00046979 -0.00000478 -0.00023979
0.02988023 0.00662829 0.00921099
16.16818187 -7.80822055 -14.81198266
0.00046205 0.00033836 -0.00053143
0.00182590 -0.00106625 -0.00892214
16.54943450 -8.13496640 -11.90850200
0.00069023 -0.00107065 -0.00052435
0.01272132 -0.00477028 0.01411552
7.87896069 -3.91317965 6.50637676
-0.00062889 0.00028429 -0.00036077
-0.02367856 -0.00353159 -0.02119646
10.59289342 -3.99238431 5.22267693
-0.00030686 -0.00068124 0.00010662
-0.00509818 -0.00362700 -0.00714918
-21.09987974 0.97381200 25.09649024
0.00069843 -0.00047919 0.00001701
-0.04082185 -0.01391752 0.00657669
-19.12491590 2.97985685 25.83818285
0.00027187 -0.00012569 0.00008231
-0.00852918 -0.01336739 -0.00301038
25.33960510 -2.74690592 -7.28384454
0.00017704 -0.00021652 0.00041259
0.01647869 -0.02113397 0.00644449
23.99167113 -1.08480187 -9.15617747
-0.00170262 0.00043734 0.00035561
0.00170567 0.00823380 -0.00839526
11.64819106 -9.94031753 -9.41929231
0.00003919 0.00031322 0.00007462
0.00954852 -0.00545916 -0.00363424
12.84159071 -9.36053304 -12.09402035
0.00028391 -0.00060208 0.00024289
-0.00236999 0.00304667 0.00731283
-7.51295859 -10.57032366 17.72808244
0.00143844 0.00010890 0.00018149
-0.01292409 -0.00660005 -0.02086663
-10.23960137 -11.29928943 17.66231134
0.00014290 0.00103381 -0.00006882
-0.00733254 0.00600565 -0.00373377
7.94375452 2.04839891 -29.31237743
0.00014987 -0.00042385 0.00033947
-0.00018092 -0.01144288 0.01005939
5.45512847 0.70825990 -28.74634338
0.00019422 0.00009774 0.00119482
-0.00640225 0.00004470 0.00311941
14.33588425 19.22365345 13.46609055
0.00041531 0.00053266 0.00036762
0.00360896 0.00471553 0.01376348
13.05814746 17.81555356 11.48500550
0.00040907 -0.00051124 -0.00100539
-0.01301821 0.00619381 0.01337945
27.76044046 7.66722480 -11.66616516
-0.00031378 -0.00003393 0.00026128
0.01961096 0.00416666 -0.00914841
26.22285409 7.67438366 -9.22949230
-0.00071967 -0.00017234 0.00050781
-0.00145868 -0.00044288 -0.00939102
-7.92325003 4.67642589 6.08952763
0.00012958 0.00012365 0.00006026
-0.00037419 -0.00784106 0.00342439
-10.47475050 9.19221819 2.91497592
0.00015582 -0.00006598 0.00011117
0.01451438 -0.00444267 0.01271500
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.07653408
0.28529960
380.14741089
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0598110465
ExchangeOperator: pair fraction: ispin=0: 0.1485127096
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.3650815058 (a.u.)
total exchange computation time: 2.8347229958 s
-154.1473194424
-931.36348796
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0598110465
ExchangeOperator: pair fraction: ispin=0: 0.1485127096
ExchangeOperator: bisection time: 1.422 s
total exchange = -52.3645883033 (a.u.)
total exchange computation time: 2.8374440670 s
-154.1516080811
Anderson extrapolation: theta=1.3419748335 (1.3419748335)
-931.36372619
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0598110465
ExchangeOperator: pair fraction: ispin=0: 0.1485127096
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3638597863 (a.u.)
total exchange computation time: 2.8354749680 s
-154.1577664207
Anderson extrapolation: theta=0.0509078670 (0.0509078670)
-931.36386724
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0601017442
ExchangeOperator: pair fraction: ispin=0: 0.1491617090
ExchangeOperator: bisection time: 1.422 s
total exchange = -52.3637919135 (a.u.)
total exchange computation time: 2.8615617752 s
-154.1584948939
Anderson extrapolation: theta=0.7080375959 (0.7080375959)
-931.36389581
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0601017442
ExchangeOperator: pair fraction: ispin=0: 0.1491617090
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3636873287 (a.u.)
total exchange computation time: 2.8607668877 s
-154.1592757984
Anderson extrapolation: theta=1.2959938371 (1.2959938371)
-931.36390011
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0601017442
ExchangeOperator: pair fraction: ispin=0: 0.1491617090
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3635451253 (a.u.)
total exchange computation time: 2.8605029583 s
-154.1603153945
Anderson extrapolation: theta=0.3220514116 (0.3220514116)
-931.36390326
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0601017442
ExchangeOperator: pair fraction: ispin=0: 0.1491617090
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.3635055118 (a.u.)
total exchange computation time: 2.8615639210 s
-154.1605800967
Anderson extrapolation: theta=1.6241057979 (1.6241057979)
-931.36390412
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0601017442
ExchangeOperator: pair fraction: ispin=0: 0.1491617090
ExchangeOperator: bisection time: 1.421 s
total exchange = -52.3634615358 (a.u.)
total exchange computation time: 2.8621959686 s
-154.1608340135
Anderson extrapolation: theta=0.2937902280 (0.2937902280)
-931.36390501
18.776495 28.161189 -212.132300
562.654163 1075.111428 -404.550401
581.430658 1103.272617 -616.682701
1391.247509
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0601017442
ExchangeOperator: pair fraction: ispin=0: 0.1491617090
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.3634669010 (a.u.)
total exchange computation time: 2.8615639210 s
678.65539315
-1083.65188607
89.87142675
-389.10600219
-174.76936996
78.19965091
551.60419304
0.00000000
-931.36390522
4.59201325 -30.85532528 -3.55073459
-0.00007087 -0.00014232 0.00011994
-0.00066122 0.01010188 0.02202619
-11.91184245 2.06382147 -9.42435941
0.00026429 0.00004007 0.00018549
-0.05153899 0.01083621 -0.01289502
-36.19449604 1.27204404 3.13122684
-0.00010390 0.00018008 0.00002090
-0.00651338 0.02639144 -0.02054097
-7.48519956 -3.57493648 2.56913814
0.00004263 0.00016530 0.00015146
-0.01724970 -0.00769288 -0.01884015
2.25418646 0.11669043 8.96634790
0.00003919 0.00000076 -0.00000498
0.01840080 -0.03504909 -0.03901144
-30.95273583 1.40026195 2.71384678
-0.00013962 0.00024961 -0.00015273
-0.05338862 -0.00260242 0.00334016
16.97205967 13.23358936 -17.95076794
-0.00036759 -0.00010399 -0.00060598
-0.01719288 0.00213930 -0.00497694
-3.42679522 5.21497402 5.55454251
0.00001513 -0.00018882 0.00005854
-0.00537341 0.01326381 0.01751187
5.81805307 17.15956772 -6.97118436
-0.00017268 -0.00029375 0.00008770
0.03380681 0.04322633 0.03046912
7.21233426 5.66855511 -20.96900112
0.00030283 0.00022987 -0.00007628
-0.00256727 -0.00415892 -0.03797462
18.60752030 19.64274576 -5.09176993
0.00002051 0.00002381 -0.00016168
0.01012591 -0.02424264 -0.03548290
1.94594197 13.92716976 -21.15049244
0.00017579 0.00009238 -0.00020958
-0.01797653 -0.02246103 0.01939187
10.31054329 -5.35756771 0.35088378
0.00021940 0.00004243 0.00036642
0.01289167 0.00230908 -0.01359249
-18.29138658 -3.97701284 5.34059200
0.00040736 -0.00031091 0.00000251
0.00459410 -0.03364684 0.01540474
-14.21744713 -1.40199115 20.55436845
-0.00022439 0.00017095 0.00013158
0.01594845 -0.02105544 0.04540078
1.59850275 3.69065235 -3.92223817
-0.00002240 0.00017996 -0.00014701
0.00061030 0.01424000 -0.00242727
21.27101285 -10.63199733 -4.44009666
-0.00025717 -0.00013157 0.00002057
-0.02198038 -0.01103083 -0.03171833
3.06046529 -10.34565490 7.93156633
0.00012378 -0.00016394 -0.00023229
0.00647619 0.01656614 -0.02435813
-1.85418330 -1.84478156 -19.50239733
-0.00002823 0.00003643 -0.00019510
-0.02216426 0.03750067 0.02325177
-0.23723513 3.52800959 -10.32391162
-0.00025925 0.00013203 -0.00050264
-0.04812835 0.02137874 0.04877500
-5.02148721 14.62756147 14.46855417
0.00003607 0.00006692 0.00002121
0.01662050 0.01622792 0.03820633
-5.46539477 2.65228454 -7.33992025
0.00015333 0.00027382 0.00020580
0.01009363 -0.01447786 -0.00816331
-9.18311071 0.74611997 -4.15991922
-0.00004979 0.00018914 0.00003202
-0.01683152 0.00195752 0.03478247
2.92423224 27.48141098 5.84002480
-0.00014180 -0.00016116 -0.00010004
0.02019640 0.03821602 0.05491995
10.01760474 -10.70733008 -1.55967925
0.00000112 -0.00037357 0.00017527
0.01571459 0.00623528 -0.00967517
-6.77469192 0.98838171 9.22479879
0.00003783 -0.00010132 0.00009044
-0.04836126 0.03038804 0.01007844
20.42851706 10.83140083 6.98572714
-0.00022948 -0.00001698 -0.00004791
-0.07080465 -0.02532077 -0.02332532
-3.08933585 1.10347511 -23.83754798
0.00020439 0.00002369 -0.00009909
0.00502253 -0.01961802 0.05443357
-13.83515510 8.79930699 8.55434993
0.00043888 0.00007844 0.00022517
-0.02004777 -0.02387044 -0.01890877
-13.46790224 6.07914723 -3.30442905
-0.00018075 -0.00013120 -0.00007642
0.00293277 -0.00421316 -0.00823116
-2.28109269 -15.36650391 20.58107405
-0.00027091 -0.00009787 -0.00012824
-0.01817852 0.00518277 0.00673622
-5.99363513 7.59058127 -8.12713764
-0.00002780 0.00036905 0.00035765
-0.01441744 -0.01283602 0.01810113
-19.77929582 30.42977342 1.03330203
0.00022126 -0.00011602 -0.00024852
0.01849780 0.03013223 0.02223086
9.86744031 3.78965198 7.94314252
-0.00013949 0.00005403 -0.00002825
-0.01210718 0.00413029 -0.02496795
7.17159259 15.99274723 -11.70739696
0.00005672 0.00011966 0.00023674
0.02329854 -0.01415914 -0.00366678
13.77805355 5.14619870 -1.19333866
-0.00014079 -0.00039486 -0.00006443
0.00240738 -0.00392647 -0.00580400
-6.04168644 11.44811416 -2.16527097
-0.00011608 0.00003914 0.00028755
0.02445701 0.02268798 0.00200028
7.91144568 12.71409768 5.20631432
-0.00031859 -0.00020221 0.00027975
-0.01652023 0.00500470 0.01456498
21.84980059 -12.03858721 -9.65825680
-0.00026670 0.00023526 0.00016131
-0.01239463 0.01004097 -0.00712477
19.87035370 -5.96386803 -1.26138387
-0.00019874 0.00009514 0.00035705
0.02661474 0.01358218 0.01453626
14.68102906 7.99967971 8.73593960
0.00028535 0.00007252 0.00028477
0.00981449 -0.00699580 0.00079797
3.79987060 -13.79120166 16.39454283
0.00001126 0.00010913 0.00021148
-0.00680295 -0.02440700 -0.00205971
-2.54463226 -2.44048432 -13.72034047
-0.00005764 0.00012400 0.00007901
-0.03562663 -0.02344057 -0.00042334
15.51848177 -7.36327932 -13.15920574
-0.00012191 0.00006675 -0.00001416
-0.01289191 0.00455399 0.00066911
9.63155379 -3.65840848 6.71174052
0.00044565 -0.00020507 -0.00010639
0.01844745 0.01224551 0.02387103
-19.41314134 1.38586202 24.90181040
-0.00006412 0.00006749 -0.00000202
0.05298962 0.02405855 -0.00569071
24.33597407 -1.25554778 -7.38638050
-0.00029429 0.00021710 -0.00014292
-0.01171642 0.01401934 0.00598159
11.65505864 -10.47010858 -11.19246296
-0.00003188 -0.00012731 -0.00041403
-0.00810677 0.01395812 0.00938502
-8.93183427 -10.81468296 16.46857106
0.00015076 0.00015563 0.00006927
0.00355055 -0.00079165 0.00177010
6.80245126 1.58878586 -27.86925054
0.00023005 -0.00002033 -0.00013513
0.01377329 0.00927632 -0.01514489
12.62997801 18.78877504 13.01916351
-0.00013743 -0.00022115 -0.00019426
0.01775458 -0.01709097 -0.02951336
26.05991360 7.52586152 -11.08721308
-0.00009500 0.00009069 -0.00002758
-0.00967225 -0.00467561 0.02026374
5.25610589 -29.55676301 -4.67389261
-0.00024496 -0.00069342 -0.00037091
0.00102979 0.00136179 -0.00444131
4.26151204 -29.93593821 -1.94276421
-0.00001769 0.00065604 -0.00043165
-0.00342100 -0.01830508 -0.01732405
-10.23878444 1.91740812 -8.97080236
0.00084253 0.00068973 0.00046889
0.04436016 -0.00435774 0.01123893
-12.00260989 2.72731750 -11.15939629
0.00051421 -0.00024483 -0.00013457
0.00075911 -0.00351030 0.00254918
-37.03913227 2.80582753 2.21315613
-0.00018653 0.00069127 0.00067777
0.02476265 -0.01316894 0.01953699
-37.60877025 0.41833958 3.83781574
0.00106742 0.00058470 0.00002255
-0.01260115 -0.01438280 0.00545247
-8.75741117 -4.35701746 1.35570372
0.00053007 0.00057519 -0.00047450
0.01639463 0.00582981 0.02350039
-6.22527783 -4.82282648 3.00638147
-0.00002170 0.00012029 -0.00045806
-0.00582987 -0.00421805 -0.00209775
2.69116042 0.04604931 7.11848152
0.00045421 -0.00032250 0.00085286
-0.00876835 -0.00345671 0.03280580
1.62665846 1.74423177 9.24337317
0.00002617 0.00003468 0.00032989
-0.01300523 0.03401225 0.00833434
-30.32769500 -0.28315130 2.40060346
0.00036078 -0.00003350 0.00012828
0.01470344 -0.00933900 0.00295655
-32.85424187 0.95504873 2.90894265
-0.00000134 -0.00089311 -0.00038172
0.03810675 0.02018549 -0.00224543
15.47917654 12.19349695 -18.28737355
0.00139424 -0.00008806 -0.00003721
0.00904677 0.00315268 0.00254913
18.12195764 12.21083071 -16.92228553
0.00095161 -0.00040019 0.00028642
0.00687277 -0.00595551 -0.00117863
-3.04570359 6.88532992 6.28382557
-0.00000788 -0.00002771 0.00016785
-0.00091218 -0.01334845 -0.00435235
-3.04340947 5.40150301 3.81661752
0.00001619 -0.00059747 -0.00086332
0.00729004 0.00186265 -0.01761491
5.77789901 16.50152638 -8.62387349
-0.00012951 0.00030863 -0.00069385
0.00436736 -0.01695377 -0.03752075
7.40571049 18.24267240 -7.06025726
0.00008970 0.00053439 -0.00006756
-0.03424832 -0.02459048 0.00616174
7.56534717 5.50834917 -22.94313434
-0.00067661 -0.00190960 0.00095596
-0.00399236 0.00706209 0.03963080
8.58540461 6.76636105 -20.38906563
-0.00045091 0.00022395 0.00024826
-0.00260281 -0.00269837 0.00223503
19.18721179 21.02926493 -4.08353960
0.00016755 0.00037085 0.00085805
0.00674905 0.01846641 0.01362408
19.70343967 19.63662653 -6.60036150
-0.00113192 -0.00058503 -0.00061957
-0.00929706 0.00138568 0.01971865
1.76269868 12.18844481 -20.46677732
-0.00130344 0.00034144 0.00013970
0.01414159 0.01617799 -0.01194707
0.16306112 14.33835418 -21.42297817
-0.00005841 0.00044563 -0.00121205
0.01047596 0.01054141 -0.00624887
10.72696940 -6.68485651 -0.85719446
-0.00091359 -0.00048537 0.00061378
-0.00528020 -0.00164393 0.00572178
9.76476154 -3.92755694 -0.73119624
-0.00002632 0.00051205 -0.00129086
-0.00687341 -0.00609413 0.00682819
-18.37396569 -5.00024911 6.91383410
0.00067010 -0.00043210 -0.00000754
-0.00184725 0.01552086 -0.01633948
-18.74568615 -5.25694165 4.07350280
0.00022546 -0.00007168 -0.00067558
-0.00109763 0.01289599 0.00294213
-14.40508578 -0.22863895 19.25197139
0.00051523 -0.00032430 -0.00006293
-0.00925195 0.02913926 -0.03709180
-14.05452919 -0.42651155 22.13738643
-0.00004981 -0.00005226 0.00070444
-0.00608904 -0.00731176 -0.00919285
1.39789554 3.42463272 -2.13075877
-0.00070706 -0.00094916 -0.00080050
0.00557430 -0.01307563 -0.00328403
2.04481385 2.12153127 -4.75685586
0.00033779 -0.00017619 -0.00058398
-0.00356179 0.00062873 0.00641049
21.88710915 -10.58716376 -6.17985870
0.00101418 0.00012897 -0.00094968
-0.01681224 -0.00207335 0.00576444
22.58026006 -9.77899046 -3.65822546
0.00067917 0.00001745 -0.00019335
0.03485045 0.02363516 0.03134875
4.65917280 -10.33298305 6.98415279
-0.00089969 -0.00002018 0.00012818
-0.01090025 -0.00536244 0.01397311
2.98340567 -11.79053347 9.01978276
0.00043824 -0.00009511 -0.00022039
0.00837943 -0.00901674 0.00931567
-1.99443485 -3.19715880 -20.65491860
-0.00027490 0.00036894 -0.00032996
-0.00590432 -0.02492671 -0.01702991
-3.50875805 -1.63958429 -18.64275221
-0.00008708 -0.00034997 -0.00007533
0.02527402 -0.01008852 -0.00945036
0.52873740 5.13480616 -9.74928005
-0.00054485 -0.00054851 0.00024276
-0.00574727 -0.01968896 -0.01278597
-1.89137793 3.49443197 -9.22992931
0.00047464 0.00039751 0.00136923
0.05172403 0.00164006 -0.03516970
-3.61954207 15.05173234 15.68795590
-0.00041359 0.00115711 -0.00017492
-0.02432603 -0.01273354 -0.02780012
-6.48851819 14.73589120 15.61076366
-0.00006260 0.00072970 -0.00087303
0.00851580 -0.00404368 -0.01783491
-6.78574099 1.96091003 -6.26757973
0.00019338 0.00028849 -0.00053801
0.00052042 -0.00836535 0.00299896
-4.88713763 1.26538281 -8.42103292
0.00036743 0.00008616 0.00048985
-0.01309166 0.01234176 0.00881517
-10.22256584 -0.57955743 -3.36583377
0.00004462 -0.00068155 -0.00003612
0.01129178 0.00715003 -0.01707981
-9.40386894 2.11006159 -2.87177469
-0.00099948 0.00022910 0.00121183
0.01048535 -0.00365798 -0.01871683
2.85463921 29.13238104 5.03661510
0.00101716 0.00025557 -0.00008923
-0.00562144 -0.00664319 -0.00751811
3.46165194 28.07063310 7.63236148
-0.00022537 -0.00032974 -0.00007378
-0.01698611 -0.02582598 -0.04214510
8.28092341 -10.37404786 -1.19575939
-0.00097187 -0.00085712 0.00100830
-0.00773912 0.00231796 0.00407345
10.97032962 -11.11305380 0.02171516
-0.00020035 0.00047146 0.00022841
-0.01967792 -0.00186959 -0.00974512
-5.29481162 0.09777748 8.91121300
-0.00020083 0.00066323 -0.00022389
0.03185856 -0.03311520 -0.01115468
-8.22690199 -0.14079416 9.28035956
-0.00016864 0.00082091 -0.00031912
0.01448878 0.00153414 -0.00168836
20.44851860 11.05879224 8.72460763
-0.00056656 0.00012963 0.00026793
0.00036210 0.00068115 0.04422629
22.00857982 11.32296752 6.50895030
-0.00010976 -0.00097203 -0.00078082
0.06785783 0.01931098 -0.01744034
-2.83580396 0.38384691 -21.96602586
-0.00008442 -0.00117850 -0.00042134
-0.00488990 0.01521809 -0.05645660
-4.89274106 1.06970609 -24.13012673
-0.00142951 0.00024642 -0.00038771
-0.00068854 0.00267356 0.00344530
-12.71047124 9.52224883 9.74384347
0.00018406 0.00053580 0.00018443
0.02024965 0.01485674 0.01564976
-13.62343917 9.80934330 7.03406010
0.00052560 -0.00052826 -0.00080337
-0.00383330 -0.00173585 0.00771020
-13.99656542 5.02890154 -4.71538438
-0.00101258 -0.00056480 0.00026526
-0.00356827 -0.00226678 0.00484010
-14.19544340 7.71214234 -3.60504186
0.00064666 0.00093520 -0.00085011
-0.00106030 0.00748907 -0.00421373
-4.04954801 -15.60575194 20.14312931
0.00025866 0.00007673 0.00023438
0.00304899 0.00351402 0.00778439
-1.53560478 -16.61139590 19.52129825
0.00000823 -0.00034002 0.00020313
0.00978412 -0.01140439 -0.01197343
-5.95183021 5.84987727 -7.43596138
0.00121262 0.00021232 0.00039612
0.00697936 0.01127508 -0.01804799
-7.35861491 8.32444777 -7.08881598
-0.00032656 -0.00073337 0.00028638
0.01123917 0.01220026 -0.01088384
-21.15110797 29.61602029 0.26083398
0.00004595 -0.00140343 0.00087268
-0.01766670 -0.01713424 -0.01155922
-18.26938058 29.42279534 1.23624490
0.00057219 0.00000400 -0.00106894
0.00061562 -0.00945730 -0.00831336
9.29990842 2.75577418 6.42667264
0.00067468 0.00013566 0.00084609
0.00193693 0.02697269 0.02830666
9.08872703 5.55199045 7.99381137
-0.00000388 -0.00036232 -0.00046324
0.01103220 -0.02753707 -0.00842551
8.21075055 17.41094609 -12.26035673
-0.00041708 0.00084524 -0.00045678
-0.00293771 -0.00345721 0.00285405
8.42357933 14.59196661 -11.87093647
0.00047332 0.00097923 -0.00078715
-0.02056100 0.01370096 0.00206785
12.14484192 5.97777542 -1.31190645
-0.00136168 0.00027758 0.00072178
0.00673450 -0.00373938 0.00322525
13.85190420 4.19406565 0.38248726
-0.00053497 -0.00012546 -0.00067500
-0.00648058 0.00174132 -0.00121633
-4.25797484 11.19443289 -1.96595308
-0.00047612 0.00026109 -0.00031087
0.01207830 -0.00603633 -0.00801884
-6.83251530 10.63589749 -0.80967491
-0.00154708 0.00074584 -0.00002059
-0.01555215 -0.01630857 0.02555652
7.30656484 14.26646511 4.52975504
0.00048120 -0.00073469 0.00077613
-0.00269385 0.01195087 -0.00333688
9.02897531 12.05060223 3.97202730
0.00090404 -0.00013765 -0.00081192
0.01695953 -0.01027362 -0.01560964
20.48263950 -12.96581170 -8.90958565
-0.00039295 -0.00116214 0.00079284
-0.01085803 -0.00293009 0.00371283
23.28242136 -12.34468482 -8.61208478
-0.00079023 0.00005815 -0.00059290
0.01281213 -0.00797825 0.00356585
19.91870615 -4.89760211 -2.74458346
0.00068286 0.00022635 0.00032129
-0.00379317 0.00658117 -0.00650084
18.37132833 -6.88807560 -1.40501797
-0.00049738 -0.00020778 0.00057462
-0.02793350 -0.01612328 -0.00166712
13.82415078 9.57229318 8.55494661
0.00037088 0.00040574 0.00037508
-0.00441297 0.00226354 0.00306924
14.99263937 7.80078706 10.54133707
0.00025968 -0.00061470 -0.00060471
0.00136880 0.00173360 0.00288537
2.95101713 -15.24648209 17.31538114
0.00011678 -0.00045620 -0.00047456
0.01313257 0.03078736 -0.00850762
3.84371531 -12.18156543 17.28661023
-0.00078200 0.00037159 -0.00104316
-0.00496080 -0.01003643 0.00744773
-2.76967214 -3.92635290 -12.63523736
0.00015090 -0.00008639 0.00044802
0.00691088 0.01844591 -0.00872904
-1.24704840 -1.36335215 -13.13058256
0.00058882 0.00001968 -0.00020383
0.02838273 0.00534238 0.00839322
16.17516855 -7.80317775 -14.82022750
0.00046500 0.00033655 -0.00056072
-0.00038210 0.00017596 -0.00541629
16.56017772 -8.15117232 -11.91593474
0.00073523 -0.00108489 -0.00047335
0.00930950 -0.00219847 0.01085177
7.86880175 -3.90902349 6.50031568
-0.00070719 0.00027285 -0.00044488
-0.01464748 -0.00207148 -0.01997701
10.58813434 -4.00271412 5.22405722
-0.00032272 -0.00069764 0.00007039
-0.00266824 -0.00439933 -0.01058991
-21.09065413 0.96619760 25.09694691
0.00052115 -0.00053822 0.00004570
-0.04595907 -0.01497756 0.00746928
-19.12109917 2.97756181 25.83932520
0.00023589 -0.00017958 0.00007066
-0.00908307 -0.01301008 -0.00269211
25.34276567 -2.75080132 -7.27745819
0.00023750 -0.00029297 0.00043571
0.01311821 -0.01628827 0.00487439
23.96618415 -1.07798944 -9.15110060
-0.00169450 0.00046927 0.00031908
0.00226787 0.00739289 -0.00948686
11.64907154 -9.93578654 -9.41828444
0.00007782 0.00028779 0.00005222
0.00935902 -0.00698718 -0.00732606
12.84577674 -9.36947088 -12.09015285
0.00027728 -0.00058634 0.00026925
-0.00087777 0.00465645 0.00559009
-7.49177800 -10.56889245 17.73016531
0.00137713 0.00008030 0.00009155
-0.01708614 -0.00739793 -0.02315865
-10.23768257 -11.28359827 17.66116456
0.00011099 0.00105706 -0.00008069
-0.00828709 0.00537653 -0.00207278
7.94599695 2.04169046 -29.30697712
0.00015159 -0.00046932 0.00037544
0.00102603 -0.01081264 0.00754874
5.45784555 0.70972739 -28.72832554
0.00016157 0.00009361 0.00120159
-0.00957867 -0.00206833 0.00019601
14.34222447 19.23178781 13.47202665
0.00041702 0.00054767 0.00041887
-0.00277080 0.00263442 0.01132166
13.06388462 17.80807480 11.47033456
0.00035466 -0.00047934 -0.00094029
-0.01361850 0.00942158 0.01849020
27.75633463 7.66684360 -11.66252637
-0.00022906 -0.00001654 0.00022336
0.02186399 0.00434391 -0.00941172
26.21201438 7.67178506 -9.22216292
-0.00072492 -0.00017411 0.00046383
-0.00111047 -0.00042416 -0.01213560
-7.92130739 4.67825961 6.09044073
0.00012944 0.00012086 0.00006147
-0.00041664 -0.00776431 0.00334001
-10.47238800 9.19122069 2.91666555
0.00015916 -0.00006702 0.00011412
0.01431859 -0.00448375 0.01277211
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.07655914
0.28734607
382.87423744
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0601017442
ExchangeOperator: pair fraction: ispin=0: 0.1491617090
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.3528819206 (a.u.)
total exchange computation time: 2.8649361134 s
-154.1013478418
-931.36529773
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0601017442
ExchangeOperator: pair fraction: ispin=0: 0.1491617090
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.3525547491 (a.u.)
total exchange computation time: 2.8619849682 s
-154.1042287326
Anderson extrapolation: theta=1.3362703393 (1.3362703393)
-931.36552397
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0601017442
ExchangeOperator: pair fraction: ispin=0: 0.1491617090
ExchangeOperator: bisection time: 1.422 s
total exchange = -52.3520524732 (a.u.)
total exchange computation time: 2.8619961739 s
-154.1084916190
Anderson extrapolation: theta=0.0506390007 (0.0506390007)
-931.36565719
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0601017442
ExchangeOperator: pair fraction: ispin=0: 0.1491617090
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3519727058 (a.u.)
total exchange computation time: 2.8637990952 s
-154.1091089235
Anderson extrapolation: theta=1.9401872804 (1.9401872804)
-931.36566210
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0601744186
ExchangeOperator: pair fraction: ispin=0: 0.1494645754
ExchangeOperator: bisection time: 1.422 s
total exchange = -52.3518891572 (a.u.)
total exchange computation time: 3.1056931019 s
-154.1105087133
Anderson extrapolation: theta=-0.3429336723 (-0.3429336723)
-931.36575772
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0601744186
ExchangeOperator: pair fraction: ispin=0: 0.1494645754
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3519204654 (a.u.)
total exchange computation time: 3.1091089249 s
-154.1102393620
Anderson extrapolation: theta=0.4336893183 (0.4336893183)
-931.36575813
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0601744186
ExchangeOperator: pair fraction: ispin=0: 0.1494645754
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.3519064276 (a.u.)
total exchange computation time: 3.1060841084 s
-154.1102953904
Anderson extrapolation: theta=2.5306624121 (2.0000000000)
-931.36575938
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0601744186
ExchangeOperator: pair fraction: ispin=0: 0.1494645754
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.3518590732 (a.u.)
total exchange computation time: 3.1058850288 s
-154.1105295825
Anderson extrapolation: theta=0.6510237511 (0.6510237511)
-931.36576159
18.819604 -16.219934 -167.715599
562.637708 1075.100622 -404.581029
581.457312 1058.880688 -572.296629
1336.728974
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0601744186
ExchangeOperator: pair fraction: ispin=0: 0.1494645754
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3518168416 (a.u.)
total exchange computation time: 3.1075038910 s
678.48005416
-1083.26079759
89.88078621
-389.37536259
-174.73862600
77.98000073
551.60419304
0.00000000
-931.36576265
4.59094759 -30.85742112 -3.54885052
-0.00007129 -0.00013732 0.00013109
-0.00094671 0.00933251 0.02135112
-11.90807685 2.06446432 -9.42162674
0.00023977 0.00004547 0.00017901
-0.04380796 0.01015729 -0.01232087
-36.19607970 1.27484707 3.13146114
-0.00010540 0.00019478 0.00000941
0.00069878 0.03077118 -0.02414497
-7.48462670 -3.57248661 2.57133742
0.00003379 0.00016166 0.00014181
-0.01710727 -0.00645498 -0.01871941
2.25484529 0.11656662 8.96612276
0.00004819 -0.00001681 -0.00002357
0.01659518 -0.03328048 -0.03329630
-30.95503604 1.40399612 2.71156870
-0.00016667 0.00024727 -0.00015118
-0.05179269 -0.00652496 0.00269572
16.96647952 13.23203771 -17.95987688
-0.00037240 -0.00010269 -0.00060654
-0.00153107 0.00294082 0.00280067
-3.42658904 5.21219292 5.55548819
0.00001279 -0.00018177 0.00006576
-0.00371478 0.01414506 0.01056312
5.81559320 17.15532821 -6.96975136
-0.00015489 -0.00027158 0.00010202
0.03540051 0.04298140 0.02522671
7.21686686 5.67198710 -20.97029177
0.00030041 0.00022686 -0.00009483
-0.00687677 -0.00755240 -0.03415977
18.60786697 19.64300944 -5.09433205
0.00002561 0.00001254 -0.00017829
0.00971622 -0.01959637 -0.02907597
1.94850946 13.92846875 -21.15356127
0.00016565 0.00008107 -0.00019974
-0.02143410 -0.02149985 0.01884173
10.31388403 -5.35692237 0.35632765
0.00022533 0.00004527 0.00035817
0.01014730 0.00873867 -0.01850853
-18.28525839 -3.98180628 5.34068907
0.00040962 -0.00032830 0.00000999
0.00416729 -0.03398206 0.01366996
-14.22075152 -1.39950806 20.55651727
-0.00021617 0.00015995 0.00015556
0.01603880 -0.02171897 0.04783621
1.59816918 3.69340674 -3.92445263
-0.00002166 0.00018623 -0.00014954
0.00224887 0.01010710 -0.00741219
21.26707052 -10.63401342 -4.43991049
-0.00026602 -0.00013613 0.00000310
-0.01242945 -0.00672156 -0.03619389
3.06234692 -10.34805009 7.92798797
0.00012536 -0.00015552 -0.00024378
-0.00031129 0.01617632 -0.02031281
-1.85469231 -1.84409042 -19.50523411
-0.00003963 0.00005565 -0.00018316
-0.02213429 0.03723543 0.02315717
-0.24130947 3.53007245 -10.33126307
-0.00028446 0.00014242 -0.00047730
-0.04993009 0.01903511 0.04974540
-5.02088207 14.62862793 14.46901966
0.00004488 0.00007521 0.00003992
0.01765599 0.01597982 0.03457687
-5.46305581 2.65633598 -7.33686471
0.00015909 0.00026660 0.00020110
0.01228916 -0.01358156 -0.01013106
-9.18392242 0.74896463 -4.15930483
-0.00005908 0.00019034 0.00005110
-0.01929428 0.00270328 0.03942119
2.92218311 27.47914104 5.83873604
-0.00013149 -0.00014111 -0.00007238
0.01990664 0.03975744 0.05264849
10.01768211 -10.71290954 -1.55708752
0.00000677 -0.00036980 0.00017061
0.00625253 0.00841034 -0.00843957
-6.77431099 0.98697908 9.22619422
0.00001281 -0.00008453 0.00009581
-0.04895894 0.03490497 0.01083318
20.42480179 10.83104840 6.98491856
-0.00026536 -0.00002958 -0.00005908
-0.06874662 -0.02365903 -0.02011632
-3.08625069 1.10375476 -23.83882443
0.00020384 0.00001344 -0.00007200
-0.00715087 -0.02022993 0.05092606
-13.82864921 8.80039144 8.55765448
0.00042867 0.00006659 0.00021471
-0.01965528 -0.02220833 -0.02175698
-13.47060219 6.07716296 -3.30560715
-0.00017998 -0.00013234 -0.00008120
0.00004804 -0.00020749 -0.01033197
-2.28522651 -15.36795203 20.57917650
-0.00027886 -0.00009526 -0.00012464
-0.01272224 0.00498299 0.00724429
-5.99410779 7.59606752 -8.12170303
-0.00003468 0.00036196 0.00036678
-0.01234080 -0.01475084 0.01738370
-19.77590554 30.42814937 1.02966004
0.00023037 -0.00010124 -0.00023756
0.01690831 0.02732349 0.02037242
9.86530131 3.79047835 7.94262243
-0.00014494 0.00005624 -0.00003993
-0.00909957 0.00445981 -0.02043439
7.17253327 15.99448752 -11.70386000
0.00006883 0.00011362 0.00023448
0.02379921 -0.00933853 -0.00511545
13.77595106 5.14026069 -1.19432752
-0.00014196 -0.00039510 -0.00006848
-0.00698399 0.00297506 -0.00995099
-6.04333335 11.44878883 -2.16094993
-0.00010475 0.00005088 0.00028841
0.01959636 0.02294025 0.00132259
7.90660312 12.71108379 5.21056681
-0.00032431 -0.00020257 0.00028557
-0.00572944 -0.00638458 0.00805455
21.84575228 -12.03501956 -9.65586464
-0.00027611 0.00023948 0.00015770
-0.02421492 0.00637266 -0.00691921
19.86747529 -5.96238857 -1.25597199
-0.00018590 0.00010168 0.00036436
0.02331755 0.01186367 0.01387753
14.68534723 8.00074048 8.74021419
0.00028991 0.00006948 0.00028357
0.00791021 -0.00483265 -0.00545861
3.80001324 -13.78965879 16.39770702
0.00000790 0.00009591 0.00020962
-0.00627062 -0.02700368 -0.00514435
-2.54563422 -2.43871477 -13.71915700
-0.00007527 0.00011207 0.00007942
-0.03295097 -0.02294333 0.00204628
15.51660340 -7.36226056 -13.15941550
-0.00012699 0.00006803 -0.00001388
-0.00685408 0.00043635 0.00038928
9.63830963 -3.66143725 6.71023679
0.00045206 -0.00019898 -0.00009372
0.00651564 0.01141139 0.02537103
-19.41389867 1.38696717 24.90175820
-0.00003619 0.00007974 -0.00000527
0.05558935 0.02356759 -0.00694348
24.33151446 -1.25223714 -7.38850122
-0.00029939 0.00022313 -0.00013921
-0.00811683 0.00940346 0.00844323
11.65454920 -10.47196443 -11.19863724
-0.00003633 -0.00012017 -0.00040785
-0.00921212 0.01381522 0.01466145
-8.92955924 -10.81235151 16.46961701
0.00015368 0.00015556 0.00007022
0.00781328 0.00049367 0.00189224
6.80595516 1.58851668 -27.87133588
0.00023751 -0.00001524 -0.00014149
0.01522454 0.01052123 -0.00957543
12.62798499 18.78539185 13.01613579
-0.00012668 -0.00023005 -0.00020985
0.02406942 -0.01752472 -0.03111777
26.05845125 7.52720379 -11.08754861
-0.00010039 0.00008828 -0.00001660
-0.01127025 -0.00467299 0.02244728
5.25246299 -29.56712264 -4.67959242
-0.00023976 -0.00068652 -0.00039029
0.00151746 0.00201685 -0.00504439
4.26114190 -29.92665848 -1.94976977
-0.00003185 0.00058141 -0.00050040
-0.00351190 -0.01823053 -0.01633093
-10.22478710 1.92762051 -8.96342458
0.00100975 0.00067364 0.00051120
0.03749198 -0.00351782 0.00946889
-11.99487344 2.72353755 -11.16133678
0.00051705 -0.00025955 -0.00012158
0.00062838 -0.00369640 0.00380962
-37.04117144 2.81579306 2.22392139
-0.00008509 0.00063624 0.00075727
0.02489184 -0.01376933 0.01937839
-37.59314504 0.42666928 3.83832103
0.00100106 0.00051685 0.00005245
-0.01988457 -0.01883014 0.00918533
-8.74895774 -4.34821098 1.34930631
0.00059526 0.00059813 -0.00037919
0.01551452 0.00539838 0.02315771
-6.22578197 -4.82115139 2.99944630
-0.00004355 0.00010149 -0.00046570
-0.00486356 -0.00498360 -0.00164169
2.69770492 0.04110592 7.13227972
0.00042003 -0.00033594 0.00097716
-0.00796361 -0.00312140 0.02803865
1.62665250 1.74579419 9.24857685
-0.00002534 0.00017010 0.00036251
-0.01220998 0.03227718 0.00763348
-30.32183267 -0.28394003 2.40261821
0.00041931 -0.00006574 0.00014144
0.01394650 -0.00644086 0.00348845
-32.85309433 0.94227060 2.90314803
0.00015387 -0.00080879 -0.00039038
0.03786937 0.02108844 -0.00199286
15.50036733 12.19227262 -18.28785355
0.00141198 -0.00008763 -0.00003121
-0.00036192 -0.00293916 0.00038534
18.13644239 12.20464543 -16.91802530
0.00096845 -0.00041370 0.00027141
0.00136892 -0.00066179 -0.00617038
-3.04584969 6.88450519 6.28620996
-0.00001171 -0.00008384 0.00014795
-0.00096497 -0.01412756 -0.00538948
-3.04294329 5.39259811 3.80312796
0.00004273 -0.00059037 -0.00091935
0.00570429 0.00160961 -0.00981440
5.77609012 16.50563633 -8.63543106
-0.00011106 0.00024323 -0.00083761
0.00466422 -0.01505910 -0.03284640
7.40600654 18.24993476 -7.06108188
-0.00005487 0.00042995 -0.00004199
-0.03652135 -0.02653433 0.00635651
7.55507566 5.47992157 -22.92758053
-0.00068956 -0.00187606 0.00111153
-0.00234828 0.00935691 0.03652190
8.57856128 6.76963754 -20.38527325
-0.00045609 0.00021661 0.00025686
0.00006634 -0.00089311 0.00197613
19.18993190 21.03539359 -4.07025132
0.00019179 0.00043585 0.00090411
0.00511272 0.01335232 0.00892134
19.68617591 19.62789361 -6.60905088
-0.00116605 -0.00057749 -0.00054138
-0.00740530 0.00230075 0.01855800
1.74358048 12.19406217 -20.46504785
-0.00124400 0.00040703 0.00009097
0.01495481 0.01592702 -0.01190708
0.16250599 14.34536160 -21.44135034
-0.00001011 0.00048820 -0.00123681
0.01316876 0.01029734 -0.00587227
10.71310374 -6.69218750 -0.84781243
-0.00093432 -0.00049287 0.00063690
-0.00486863 -0.00202608 0.00559669
9.76415612 -3.92006300 -0.75034990
-0.00005024 0.00047574 -0.00125244
-0.00483379 -0.01167805 0.01198025
-18.36397075 -5.00625495 6.91322029
0.00066201 -0.00036957 -0.00007490
-0.00211313 0.01508540 -0.01663085
-18.74233784 -5.25762162 4.06345931
0.00022221 -0.00001676 -0.00065944
-0.00049500 0.01398841 0.00495509
-14.39764079 -0.23261058 19.24989086
0.00047778 -0.00020269 -0.00021553
-0.00908151 0.03039349 -0.03760734
-14.05546291 -0.42751943 22.14767132
-0.00007525 -0.00008321 0.00066237
-0.00636279 -0.00784144 -0.01140202
1.38746043 3.40999459 -2.14286685
-0.00068521 -0.00100234 -0.00080707
0.00512175 -0.01295688 0.00006795
2.04977158 2.11890771 -4.76541911
0.00032076 -0.00016603 -0.00055487
-0.00477643 0.00434451 0.00783900
21.90180668 -10.58529270 -6.19392720
0.00093801 0.00011992 -0.00090989
-0.02047168 -0.00235709 0.01371313
22.59151557 -9.77800439 -3.66016502
0.00080961 0.00010605 -0.00007157
0.02899989 0.01973494 0.02826144
4.64534337 -10.33345011 6.98650365
-0.00093035 -0.00004175 0.00017710
-0.00410354 -0.00519485 0.00997656
2.99023599 -11.79223648 9.01676242
0.00047208 -0.00013208 -0.00018189
0.00818867 -0.00907999 0.00952876
-1.99873927 -3.19238848 -20.66038989
-0.00029859 0.00026568 -0.00040033
-0.00569037 -0.02562110 -0.01741750
-3.50928970 -1.64514300 -18.64417180
0.00001613 -0.00039038 -0.00011357
0.02524508 -0.00969273 -0.00926697
0.52038858 5.12597524 -9.74603038
-0.00056311 -0.00062237 0.00019115
-0.00319277 -0.01646632 -0.01247807
-1.88267339 3.50044485 -9.21046856
0.00068531 0.00040175 0.00122207
0.05140284 0.00043439 -0.03686700
-3.62649141 15.06869883 15.68448019
-0.00051033 0.00110515 -0.00028594
-0.02302784 -0.01270400 -0.02654447
-6.48919626 14.74671272 15.59712168
-0.00003282 0.00071322 -0.00094149
0.00606060 -0.00402261 -0.01567446
-6.78282428 1.96498101 -6.27555801
0.00019041 0.00025273 -0.00052097
-0.00197746 -0.00913861 0.00534553
-4.88202735 1.26705340 -8.41341503
0.00031462 0.00013690 0.00052527
-0.01275734 0.01249634 0.00852240
-10.22155054 -0.58956165 -3.36689899
0.00009460 -0.00064725 -0.00010865
0.01317337 0.00964403 -0.01842474
-9.41853989 2.11338601 -2.85417075
-0.00095468 0.00020750 0.00112758
0.01144732 -0.00691598 -0.02252281
2.86972435 29.13601109 5.03504621
0.00099421 0.00022407 -0.00011844
-0.00561445 -0.00878035 -0.00677777
3.45775091 28.06489560 7.62996337
-0.00029419 -0.00043466 -0.00024400
-0.01670218 -0.02553033 -0.04117832
8.26610824 -10.38683363 -1.18051005
-0.00098729 -0.00085055 0.00102054
0.00018967 0.00089603 0.00191951
10.96672139 -11.10603914 0.02484268
-0.00027830 0.00046262 0.00019047
-0.01848165 -0.00245806 -0.00882723
-5.29684789 0.10671111 8.90751287
-0.00006457 0.00052320 -0.00027107
0.03484293 -0.03542759 -0.01194150
-8.22898763 -0.12843348 9.27552096
-0.00011352 0.00082204 -0.00032591
0.01249293 -0.00098190 -0.00163288
20.44003125 11.06075760 8.72998178
-0.00056337 0.00013202 0.00043935
0.00119970 0.00048855 0.03968557
22.00901283 11.30897875 6.49670364
0.00016296 -0.00089509 -0.00084906
0.06564076 0.01835523 -0.01596512
-2.83722005 0.36663571 -21.97407593
-0.00010410 -0.00111502 -0.00065004
-0.00474308 0.01585662 -0.05549321
-4.91420481 1.07348430 -24.13583681
-0.00140801 0.00025764 -0.00036976
0.01121080 0.00281981 0.00534016
-12.70708982 9.53074102 9.74708949
0.00026602 0.00059649 0.00024663
0.01986941 0.01485260 0.01479479
-13.61567270 9.80136627 7.02224585
0.00050954 -0.00053878 -0.00076446
-0.00402661 -0.00341518 0.01133763
-14.01186353 5.02036003 -4.71125711
-0.00102582 -0.00057121 0.00028699
-0.00290930 -0.00087003 0.00579359
-14.18577598 7.72639989 -3.61792256
0.00064685 0.00095345 -0.00086461
0.00115111 0.00144466 -0.00288505
-4.04557463 -15.60449324 20.14688360
0.00026202 0.00008956 0.00026358
-0.00140461 0.00276323 0.00650852
-1.53518152 -16.61684560 19.52397825
0.00004651 -0.00038460 0.00015573
0.00895446 -0.01041850 -0.01122899
-5.93342702 5.85340757 -7.43057260
0.00124012 0.00026053 0.00032185
0.00648261 0.01232526 -0.01830819
-7.36316896 8.31382105 -7.08485374
-0.00028334 -0.00068176 0.00024394
0.00991802 0.01306263 -0.00989512
-21.15096006 29.59444377 0.27356994
-0.00002192 -0.00147008 0.00082835
-0.01555557 -0.01549019 -0.01014190
-18.26077885 29.42256555 1.21995600
0.00057301 -0.00003279 -0.00110208
-0.00021445 -0.00855298 -0.00790644
9.31008791 2.75863567 6.44023142
0.00067897 0.00023987 0.00095259
0.00016355 0.02403668 0.02382719
9.08900689 5.54571188 7.98660461
0.00003917 -0.00046977 -0.00049653
0.01003913 -0.02506443 -0.00786950
8.20440437 17.42351878 -12.26712098
-0.00043301 0.00082581 -0.00044267
-0.00486078 -0.00605469 0.00405460
8.43004907 14.60707496 -11.88268040
0.00039166 0.00103112 -0.00077827
-0.01941365 0.01169853 0.00228007
12.12462302 5.98182455 -1.30098091
-0.00131695 0.00025406 0.00073438
0.01516478 -0.00777574 0.00294272
13.84368110 4.19223714 0.37232500
-0.00055974 -0.00012365 -0.00067071
-0.00564315 -0.00085850 0.00331502
-4.26474650 11.19816427 -1.97086189
-0.00042077 0.00023402 -0.00034047
0.01501409 -0.00721600 -0.00647043
-6.85619804 10.64658540 -0.80920060
-0.00160689 0.00068057 0.00008131
-0.01372596 -0.01564417 0.02432211
7.31370032 14.25581090 4.54129467
0.00046446 -0.00067167 0.00075689
-0.00550053 0.01890038 -0.00607999
9.04305554 12.04822268 3.95937020
0.00095763 -0.00017084 -0.00085725
0.00927752 -0.00597111 -0.00658068
20.47641251 -12.98333355 -8.89757927
-0.00042512 -0.00116448 0.00080029
-0.00489137 0.00178112 -0.00006390
23.27096047 -12.34405704 -8.62086895
-0.00072583 0.00002336 -0.00057127
0.01871182 -0.00904992 0.00702131
19.92883284 -4.89400515 -2.73996338
0.00066564 0.00025057 0.00029620
-0.00463948 0.00527163 -0.00577881
18.36301160 -6.89168640 -1.39644983
-0.00060366 -0.00026796 0.00056709
-0.02408959 -0.01333587 -0.00201839
13.82957870 9.57844870 8.56066682
0.00035497 0.00041083 0.00038873
-0.00337491 0.00022821 0.00361248
14.99657653 7.79161967 10.53235476
0.00026664 -0.00060792 -0.00058168
0.00203652 0.00158705 0.00839046
2.95317129 -15.25238168 17.30800196
0.00016982 -0.00032895 -0.00050725
0.01282993 0.03150521 -0.00749246
3.83183335 -12.17629919 17.27119108
-0.00080258 0.00033435 -0.00100833
-0.00511348 -0.00819259 0.00960276
-2.76719681 -3.92708359 -12.62878447
0.00017939 -0.00000778 0.00040966
0.00703108 0.02003805 -0.01004976
-1.23734643 -1.36289332 -13.13338281
0.00069994 0.00003754 -0.00017207
0.02601447 0.00340415 0.00715433
16.18213181 -7.79812418 -14.82880429
0.00045893 0.00033968 -0.00057563
-0.00258681 0.00135987 -0.00187951
16.57149148 -8.16751298 -11.92270242
0.00076569 -0.00108807 -0.00043623
0.00559952 0.00063950 0.00731594
7.85774513 -3.90499428 6.49303028
-0.00074820 0.00026723 -0.00052375
-0.00543022 -0.00067552 -0.01862955
10.58321172 -4.01331355 5.22478850
-0.00032895 -0.00071713 0.00002060
-0.00037928 -0.00514017 -0.01377880
-21.08424518 0.95766528 25.09786135
0.00032777 -0.00060052 0.00007751
-0.04870400 -0.01551795 0.00809792
-19.11783910 2.97446943 25.84030257
0.00019788 -0.00023121 0.00006075
-0.00952584 -0.01226244 -0.00215928
25.34673021 -2.75569498 -7.27077310
0.00028357 -0.00034874 0.00045223
0.00943001 -0.01101320 0.00320894
23.94083616 -1.07072392 -9.14660513
-0.00168393 0.00049757 0.00027903
0.00290571 0.00646460 -0.01011502
11.65052560 -9.93168377 -9.41772557
0.00011555 0.00025635 0.00001563
0.00911318 -0.00840514 -0.01058658
12.84990898 -9.37812334 -12.08594276
0.00027688 -0.00056402 0.00028844
0.00068403 0.00626963 0.00380425
-7.47164455 -10.56791462 17.73082887
0.00130002 0.00004877 -0.00000648
-0.02066416 -0.00803468 -0.02482618
-10.23627165 -11.26757761 17.65989075
0.00007539 0.00107781 -0.00008588
-0.00913766 0.00478250 -0.00046737
7.94830226 2.03431936 -29.30111419
0.00015864 -0.00051201 0.00040060
0.00242627 -0.01008563 0.00476448
5.45997559 0.71106812 -28.71029569
0.00011622 0.00008101 0.00119673
-0.01261995 -0.00410037 -0.00257301
14.34839489 19.24008363 13.47865660
0.00039321 0.00055416 0.00046008
-0.00888360 0.00054157 0.00885289
13.06878715 17.80117346 11.45679682
0.00029828 -0.00043531 -0.00085599
-0.01398053 0.01213161 0.02277373
27.75356876 7.66672862 -11.65946438
-0.00013687 0.00000140 0.00018493
0.02326042 0.00443865 -0.00940183
26.20110663 7.66916046 -9.21557728
-0.00072857 -0.00017573 0.00040944
-0.00067978 -0.00036931 -0.01449235
-7.91936698 4.68005164 6.09137176
0.00012928 0.00011810 0.00006265
-0.00044856 -0.00764846 0.00324755
-10.46997565 9.19020758 2.91839965
0.00016246 -0.00006807 0.00011709
0.01409541 -0.00451992 0.01278617
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.07666004
0.28910261
385.21473632
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0603197674
ExchangeOperator: pair fraction: ispin=0: 0.1500703083
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3413301551 (a.u.)
total exchange computation time: 2.9482979774 s
-154.0553800049
-931.36667787
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0603197674
ExchangeOperator: pair fraction: ispin=0: 0.1500703083
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.3411179763 (a.u.)
total exchange computation time: 2.9481217861 s
-154.0572878912
Anderson extrapolation: theta=1.3857970801 (1.3857970801)
-931.36691998
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0603197674
ExchangeOperator: pair fraction: ispin=0: 0.1500703083
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3407415072 (a.u.)
total exchange computation time: 2.9474811554 s
-154.0604680839
Anderson extrapolation: theta=0.0648794331 (0.0648794331)
-931.36707320
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0603197674
ExchangeOperator: pair fraction: ispin=0: 0.1500703083
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.3406494966 (a.u.)
total exchange computation time: 2.9487090111 s
-154.0611644537
Anderson extrapolation: theta=2.2587299736 (2.0000000000)
-931.36708150
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0603197674
ExchangeOperator: pair fraction: ispin=0: 0.1500703083
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3404425170 (a.u.)
total exchange computation time: 2.9527318478 s
-154.0626650330
Anderson extrapolation: theta=0.3824006619 (0.3824006619)
-931.36709234
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0603197674
ExchangeOperator: pair fraction: ispin=0: 0.1500703083
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3403620386 (a.u.)
total exchange computation time: 2.9482710361 s
-154.0631816874
Anderson extrapolation: theta=1.1655678930 (1.1655678930)
-931.36709541
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0603197674
ExchangeOperator: pair fraction: ispin=0: 0.1500703083
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3402871996 (a.u.)
total exchange computation time: 2.9479341507 s
-154.0635809967
Anderson extrapolation: theta=0.4905853101 (0.4905853101)
-931.36709803
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0603197674
ExchangeOperator: pair fraction: ispin=0: 0.1500703083
ExchangeOperator: bisection time: 1.427 s
total exchange = -52.3402723688 (a.u.)
total exchange computation time: 2.9484539032 s
-154.0635673460
Anderson extrapolation: theta=0.8313480275 (0.8313480275)
-931.36709900
18.872056 -16.225973 -167.679944
562.623519 1075.088502 -404.614567
581.495576 1058.862529 -572.294511
1336.730327
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0603197674
ExchangeOperator: pair fraction: ispin=0: 0.1500703083
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3402777509 (a.u.)
total exchange computation time: 2.9291219711 s
678.30100411
-1082.87399537
89.89147800
-389.63735510
-174.70795341
77.76743626
551.60419304
0.00000000
-931.36709952
4.58987463 -30.85944496 -3.54680174
-0.00007182 -0.00013273 0.00014186
-0.00112650 0.00852946 0.02050362
-11.90464922 2.06518553 -9.41898912
0.00021926 0.00005055 0.00017290
-0.03595978 0.00959106 -0.01144990
-36.19765797 1.27788749 3.13150918
-0.00010332 0.00021174 -0.00000394
0.00738195 0.03519036 -0.02776263
-7.48418581 -3.57008655 2.57339230
0.00002504 0.00015866 0.00013220
-0.01694092 -0.00521501 -0.01864930
2.25563214 0.11618607 8.96564075
0.00005612 -0.00003331 -0.00003910
0.01425816 -0.03085824 -0.02707012
-30.95773582 1.40767995 2.70931142
-0.00019295 0.00024289 -0.00014997
-0.05042066 -0.01049267 0.00202171
16.96088756 13.23050876 -17.96896422
-0.00036927 -0.00010064 -0.00060324
0.01373239 0.00503027 0.01005240
-3.42641151 5.20952093 5.55651536
0.00001125 -0.00017432 0.00006944
-0.00225832 0.01480612 0.00372206
5.81340645 17.15142028 -6.96812375
-0.00013636 -0.00024955 0.00011354
0.03665496 0.04267528 0.01957086
7.22134641 5.67536083 -20.97184595
0.00029576 0.00022219 -0.00011148
-0.01120041 -0.01059344 -0.03058561
18.60828860 19.64312193 -5.09711849
0.00003050 0.00000356 -0.00019159
0.00928906 -0.01532195 -0.02265880
1.95091158 13.92960187 -21.15648475
0.00015376 0.00007026 -0.00019014
-0.02479868 -0.02053127 0.01848968
10.31730306 -5.35620962 0.36162874
0.00022997 0.00005120 0.00034744
0.00790997 0.01432905 -0.02318789
-18.27909805 -3.98686188 5.34089159
0.00041181 -0.00034591 0.00001658
0.00436360 -0.03449354 0.01196190
-14.22393217 -1.39719253 20.55903512
-0.00020787 0.00014878 0.00018052
0.01622511 -0.02175135 0.04923336
1.59785295 3.69623911 -3.92672428
-0.00002011 0.00019049 -0.00015455
0.00377397 0.00649008 -0.01207710
21.26303230 -10.63608135 -4.44000355
-0.00026989 -0.00013838 -0.00001636
-0.00262083 -0.00199456 -0.03949746
3.06422614 -10.35032048 7.92425289
0.00012330 -0.00014733 -0.00025315
-0.00771170 0.01565565 -0.01610579
-1.85537207 -1.84311202 -19.50789223
-0.00005096 0.00007464 -0.00017145
-0.02192797 0.03659082 0.02241113
-0.24576901 3.53228216 -10.33823076
-0.00031070 0.00015161 -0.00045142
-0.05210091 0.01669554 0.05092815
-5.02014073 14.62981767 14.46975190
0.00005425 0.00008337 0.00005678
0.01878734 0.01574847 0.03095300
-5.46062205 2.66028264 -7.33388733
0.00016594 0.00025984 0.00019549
0.01435382 -0.01273461 -0.01167162
-9.18488297 0.75183015 -4.15838630
-0.00006958 0.00019190 0.00007251
-0.02156476 0.00337862 0.04386173
2.92028755 27.47717782 5.83785345
-0.00012129 -0.00012016 -0.00004580
0.01975792 0.04167985 0.05072102
10.01780771 -10.71842413 -1.55456090
0.00000770 -0.00036492 0.00016647
-0.00260939 0.01058490 -0.00767659
-6.77430777 0.98584573 9.22767323
-0.00001221 -0.00006549 0.00010154
-0.04831338 0.03912917 0.01143264
20.42055615 10.83051344 6.98395480
-0.00029987 -0.00004120 -0.00006866
-0.06541843 -0.02153742 -0.01713706
-3.08322069 1.10387834 -23.83970800
0.00019738 0.00000283 -0.00004654
-0.01797960 -0.02104629 0.04808112
-13.82229496 8.80130456 8.56079119
0.00041871 0.00005551 0.00020297
-0.01906993 -0.02084316 -0.02388975
-13.47330178 6.07517709 -3.30686496
-0.00018061 -0.00013141 -0.00008712
-0.00246473 0.00381908 -0.01271407
-2.28945847 -15.36936171 20.57733484
-0.00028397 -0.00009284 -0.00012082
-0.00715002 0.00443306 0.00760972
-5.99467566 7.60143997 -8.11613431
-0.00004057 0.00035391 0.00037556
-0.01055785 -0.01653128 0.01678646
-19.77238481 30.42673611 1.02617521
0.00023855 -0.00008793 -0.00022754
0.01490618 0.02445876 0.01860713
9.86309210 3.79133912 7.94194469
-0.00014880 0.00005869 -0.00004921
-0.00592443 0.00506794 -0.01567858
7.17365756 15.99615576 -11.70036250
0.00008115 0.00011002 0.00023153
0.02409298 -0.00464098 -0.00636457
13.77379469 5.13434563 -1.19539314
-0.00014768 -0.00039196 -0.00007466
-0.01523454 0.00924756 -0.01405807
-6.04482909 11.44964048 -2.15661869
-0.00009587 0.00006272 0.00028922
0.01494378 0.02310525 0.00183775
7.90171636 12.70802065 5.21488144
-0.00032472 -0.00020860 0.00028823
0.00414146 -0.01705476 0.00226907
21.84151717 -12.03140275 -9.65352587
-0.00029146 0.00024190 0.00015419
-0.03546188 0.00303938 -0.00673456
19.86477677 -5.96081758 -1.25045304
-0.00017481 0.00010734 0.00037137
0.01981346 0.01013531 0.01338952
14.68972641 8.00176397 8.74444667
0.00029354 0.00006754 0.00027918
0.00620273 -0.00268802 -0.01160068
3.80010749 -13.78832424 16.40083153
0.00000484 0.00008139 0.00020616
-0.00560751 -0.02948972 -0.00833810
-2.54689038 -2.43712221 -13.71795775
-0.00009154 0.00010058 0.00008109
-0.03030557 -0.02172289 0.00441264
15.51467215 -7.36123842 -13.15962226
-0.00012904 0.00006721 -0.00001371
-0.00112121 -0.00362609 0.00030171
9.64511574 -3.66437799 6.70892878
0.00045259 -0.00019323 -0.00008028
-0.00445930 0.01094909 0.02692142
-19.41422714 1.38825412 24.90165243
-0.00000731 0.00009163 -0.00000917
0.05672816 0.02268046 -0.00823569
24.32699224 -1.24885396 -7.39055681
-0.00030269 0.00022685 -0.00013429
-0.00468816 0.00507278 0.01069662
11.65396869 -10.47371369 -11.20469841
-0.00004140 -0.00011304 -0.00039903
-0.01050853 0.01390680 0.01964302
-8.92722392 -10.81001625 16.47067756
0.00015866 0.00015609 0.00007114
0.01154154 0.00158314 0.00169565
6.80957651 1.58832867 -27.87349510
0.00024568 -0.00000953 -0.00014504
0.01654927 0.01168776 -0.00425502
12.62617766 18.78187346 13.01286800
-0.00011275 -0.00023916 -0.00022622
0.03008071 -0.01787297 -0.03255179
26.05690195 7.52851000 -11.08771096
-0.00010646 0.00008587 -0.00000454
-0.01232231 -0.00469901 0.02443444
5.24891310 -29.57735867 -4.68560138
-0.00023273 -0.00067718 -0.00041188
0.00192529 0.00255745 -0.00552315
4.26055653 -29.91849603 -1.95777619
-0.00004656 0.00050766 -0.00056423
-0.00368743 -0.01786849 -0.01491264
-10.20849202 1.93761730 -8.95546649
0.00114639 0.00066104 0.00054545
0.02939524 -0.00264923 0.00730084
-11.98709848 2.71953106 -11.16304380
0.00051931 -0.00027491 -0.00010372
0.00047968 -0.00382427 0.00493366
-37.04168507 2.82491473 2.23587426
0.00001636 0.00057912 0.00083585
0.02476852 -0.01419331 0.01908462
-37.57873849 0.43384495 3.83938926
0.00090588 0.00043140 0.00009720
-0.02670643 -0.02299571 0.01272121
-8.73955349 -4.33907365 1.34432815
0.00065618 0.00061896 -0.00028595
0.01430722 0.00479722 0.02248104
-6.22658418 -4.81978172 2.99241053
-0.00006150 0.00007965 -0.00047147
-0.00392670 -0.00570644 -0.00118551
2.70376135 0.03597122 7.14779631
0.00038967 -0.00034810 0.00108015
-0.00689686 -0.00283086 0.02237387
1.62589822 1.74933475 9.25424835
-0.00007266 0.00029588 0.00039183
-0.01095168 0.02929299 0.00671974
-30.31511562 -0.28512351 2.40484675
0.00047446 -0.00008574 0.00015688
0.01304702 -0.00334829 0.00406698
-32.84962592 0.93078490 2.89723128
0.00030689 -0.00072120 -0.00039792
0.03703708 0.02178864 -0.00169736
15.52153593 12.19086815 -18.28830992
0.00139012 -0.00011335 -0.00003431
-0.01033648 -0.00965384 -0.00190338
18.15101103 12.19841959 -16.91414322
0.00096393 -0.00040675 0.00023713
-0.00357867 0.00406700 -0.01061256
-3.04605492 6.88281465 6.28826405
-0.00001558 -0.00014237 0.00012419
-0.00093104 -0.01452393 -0.00624117
-3.04212752 5.38379186 3.78903692
0.00006287 -0.00058421 -0.00094359
0.00415210 0.00140616 -0.00205098
5.77456708 16.50882336 -8.64900167
-0.00009131 0.00018621 -0.00096021
0.00500692 -0.01285535 -0.02716730
7.40406435 18.25557094 -7.06151693
-0.00020705 0.00031872 -0.00001563
-0.03797174 -0.02791525 0.00654774
7.54466023 5.45206743 -22.90978844
-0.00069571 -0.00183362 0.00125332
-0.00066089 0.01141444 0.03288709
8.57172201 6.77285930 -20.38135976
-0.00045043 0.00021666 0.00026436
0.00270356 0.00091972 0.00169425
19.19296535 21.04234056 -4.05641629
0.00020919 0.00047988 0.00093080
0.00340508 0.00819769 0.00414216
19.66845831 19.61930169 -6.61660292
-0.00119187 -0.00056635 -0.00046893
-0.00523654 0.00315623 0.01690780
1.72537879 12.20065565 -20.46404813
-0.00118148 0.00047082 0.00004272
0.01564496 0.01530102 -0.01171215
0.16275791 14.35300011 -21.46008241
0.00004861 0.00052975 -0.00125999
0.01557398 0.01004523 -0.00547773
10.69893971 -6.69964266 -0.83808740
-0.00095343 -0.00050189 0.00065948
-0.00448631 -0.00239059 0.00545630
9.76325447 -3.91328476 -0.76876935
-0.00006640 0.00041815 -0.00119391
-0.00307948 -0.01651269 0.01666985
-18.35410532 -5.01133627 6.91158724
0.00065290 -0.00030958 -0.00014219
-0.00234869 0.01427977 -0.01631246
-18.73901986 -5.25744430 4.05371949
0.00022125 0.00004199 -0.00063580
0.00002488 0.01476729 0.00661753
-14.39075237 -0.23471951 19.24550553
0.00044140 -0.00007859 -0.00036731
-0.00872897 0.03035323 -0.03669015
-14.05678658 -0.42900789 22.15725742
-0.00010172 -0.00011584 0.00061201
-0.00659531 -0.00812941 -0.01324638
1.37733921 3.39456239 -2.15497076
-0.00066524 -0.00105508 -0.00080024
0.00465416 -0.01285969 0.00327142
2.05443659 2.11655039 -4.77350194
0.00029891 -0.00014131 -0.00052033
-0.00591718 0.00775671 0.00906941
21.91524957 -10.58356610 -6.20715527
0.00084763 0.00010982 -0.00083975
-0.02377394 -0.00258813 0.02061814
22.60454837 -9.77580883 -3.66037254
0.00091417 0.00017753 0.00003636
0.02218389 0.01525119 0.02457103
4.63126245 -10.33423555 6.98946594
-0.00093197 -0.00006248 0.00020882
0.00330998 -0.00495335 0.00554805
2.99756817 -11.79449596 9.01432606
0.00050511 -0.00016856 -0.00014303
0.00797660 -0.00877599 0.00949577
-2.00339244 -3.18918837 -20.66692863
-0.00032117 0.00016141 -0.00047074
-0.00536296 -0.02541862 -0.01704596
-3.50827418 -1.65129573 -18.64615933
0.00011795 -0.00042899 -0.00015034
0.02459754 -0.00920425 -0.00873169
0.51184408 5.11613517 -9.74354545
-0.00057039 -0.00068213 0.00014111
-0.00037297 -0.01279035 -0.01201722
-1.87081856 3.50648436 -9.19326724
0.00089313 0.00040093 0.00106892
0.05032719 -0.00083311 -0.03809865
-3.63485204 15.08488675 15.67937767
-0.00060074 0.00105369 -0.00039104
-0.02122648 -0.01248446 -0.02490028
-6.48950290 14.75728772 15.58251908
-0.00001374 0.00069694 -0.00100076
0.00327912 -0.00394481 -0.01334168
-6.78002876 1.96849191 -6.28320868
0.00017748 0.00021397 -0.00049459
-0.00435180 -0.00983373 0.00756364
-4.87769891 1.26948985 -8.40527483
0.00026355 0.00018750 0.00055886
-0.01224595 0.01227327 0.00791817
-10.21972789 -0.59897482 -3.36909338
0.00015153 -0.00060353 -0.00018607
0.01469543 0.01175360 -0.01947142
-9.43250927 2.11628657 -2.83794715
-0.00090607 0.00017360 0.00102871
0.01234892 -0.00967662 -0.02587497
2.88446540 29.13910303 5.03306193
0.00097118 0.00018407 -0.00014469
-0.00565657 -0.01079712 -0.00607104
3.45282627 28.05759344 7.62504160
-0.00036136 -0.00053776 -0.00040867
-0.01618035 -0.02494189 -0.03942902
8.25130469 -10.39956448 -1.16514308
-0.00097117 -0.00084947 0.00102393
0.00770112 -0.00036430 -0.00025989
10.96198050 -11.09917513 0.02742921
-0.00035104 0.00045128 0.00015676
-0.01712516 -0.00309217 -0.00767482
-5.29674877 0.11347352 8.90308089
0.00008037 0.00037589 -0.00032077
0.03610681 -0.03668190 -0.01238549
-8.23030762 -0.11613297 9.27058229
-0.00006726 0.00081255 -0.00033250
0.01015043 -0.00366518 -0.00159206
20.43161742 11.06275289 8.73778810
-0.00055665 0.00013324 0.00058955
0.00209278 0.00010542 0.03383715
22.01346872 11.29611491 6.48347853
0.00042085 -0.00082362 -0.00090909
0.06059462 0.01662752 -0.01341984
-2.83892682 0.35039630 -21.98552697
-0.00012303 -0.00104935 -0.00087368
-0.00452791 0.01628894 -0.05397989
-4.93498150 1.07743532 -24.14121961
-0.00134059 0.00026935 -0.00034451
0.02179480 0.00290984 0.00702104
-12.70249067 9.54014347 9.75124223
0.00034520 0.00065633 0.00030397
0.01888857 0.01443868 0.01327356
-13.60815301 9.79317993 7.01112644
0.00049271 -0.00055564 -0.00071134
-0.00421349 -0.00483928 0.01466261
-14.02733995 5.01176520 -4.70677478
-0.00103640 -0.00057198 0.00031247
-0.00227028 0.00049589 0.00667949
-14.17603802 7.74074598 -3.63098008
0.00065576 0.00094721 -0.00087374
0.00321103 -0.00450154 -0.00158551
-4.04168733 -15.60306520 20.15103677
0.00024679 0.00009923 0.00028751
-0.00605121 0.00197353 0.00520374
-1.53420946 -16.62293382 19.52597006
0.00008083 -0.00042434 0.00011199
0.00784751 -0.00903362 -0.01017848
-5.91462654 5.85769323 -7.42630586
0.00126540 0.00031242 0.00024683
0.00589305 0.01307186 -0.01841444
-7.36711517 8.30399489 -7.08149793
-0.00024582 -0.00062680 0.00020570
0.00844936 0.01384234 -0.00881947
-21.15176550 29.57191791 0.28568435
-0.00007954 -0.00152884 0.00079059
-0.01265091 -0.01327409 -0.00833788
-18.25219027 29.42181157 1.20318255
0.00057030 -0.00006575 -0.00113360
-0.00111473 -0.00758060 -0.00752417
9.32027742 2.76297027 6.45525047
0.00067551 0.00033083 0.00103921
-0.00185318 0.02048930 0.01857187
9.08990202 5.53789720 7.97891555
0.00007774 -0.00056614 -0.00052752
0.00884078 -0.02210679 -0.00730029
8.19776029 17.43572040 -12.27363674
-0.00045643 0.00079620 -0.00042377
-0.00660236 -0.00843883 0.00519343
8.43532903 14.62290027 -11.89428458
0.00031534 0.00107410 -0.00076868
-0.01794569 0.00933800 0.00241347
12.10533352 5.98539713 -1.28987503
-0.00123972 0.00021504 0.00074543
0.02263865 -0.01132302 0.00246418
13.83511215 4.19035601 0.36236590
-0.00058113 -0.00013255 -0.00064791
-0.00483024 -0.00349672 0.00784722
-4.27059801 11.20145340 -1.97616724
-0.00035404 0.00020217 -0.00036378
0.01765079 -0.00837136 -0.00493840
-6.88072199 10.65631453 -0.80723569
-0.00165782 0.00061911 0.00017625
-0.01120427 -0.01443996 0.02215407
7.32049870 14.24631503 4.55246168
0.00043654 -0.00058070 0.00072673
-0.00816761 0.02562866 -0.00868056
9.05770436 12.04547718 3.94630979
0.00098069 -0.00018721 -0.00086677
0.00200769 -0.00204253 0.00192006
20.46988576 -13.00074623 -8.88557680
-0.00043358 -0.00114771 0.00079263
0.00075065 0.00642850 -0.00369044
23.26064634 -12.34398389 -8.62922282
-0.00063821 -0.00001573 -0.00053621
0.02417896 -0.01008532 0.01014053
19.93867520 -4.89008511 -2.73569746
0.00064489 0.00026921 0.00027440
-0.00551372 0.00385330 -0.00489191
18.35321852 -6.89611451 -1.38800539
-0.00069274 -0.00031587 0.00055828
-0.01951343 -0.01011450 -0.00229079
13.83479980 9.58461821 8.56660843
0.00034330 0.00040753 0.00040460
-0.00233632 -0.00184436 0.00415624
15.00063850 7.78254955 10.52388667
0.00027637 -0.00060187 -0.00053621
0.00272579 0.00137368 0.01386712
2.95611174 -15.25635044 17.30016361
0.00022107 -0.00019972 -0.00053530
0.01225633 0.03175162 -0.00623633
3.81963800 -12.17153505 17.25636046
-0.00082384 0.00030456 -0.00096493
-0.00529404 -0.00638723 0.01163763
-2.76429057 -3.92658621 -12.62294750
0.00020810 0.00007622 0.00036665
0.00702701 0.02107822 -0.01100389
-1.22605013 -1.36222586 -13.13574459
0.00080022 0.00004659 -0.00014596
0.02306963 0.00102622 0.00562741
16.18893653 -7.79298726 -14.83749627
0.00044398 0.00034747 -0.00057635
-0.00473213 0.00244947 0.00152549
16.58314842 -8.18381444 -11.92902172
0.00078085 -0.00107945 -0.00041355
0.00182235 0.00358265 0.00378516
7.84635571 -3.90100647 6.48460315
-0.00075250 0.00026703 -0.00059714
0.00332469 0.00057547 -0.01729540
10.57826587 -4.02422800 5.22467532
-0.00032628 -0.00073956 -0.00004149
0.00168747 -0.00584025 -0.01661548
-21.08082111 0.94818193 25.09927208
0.00012779 -0.00066395 0.00011136
-0.04918829 -0.01553131 0.00847273
-19.11516283 2.97062554 25.84114760
0.00015818 -0.00027915 0.00005340
-0.00990577 -0.01120639 -0.00143538
25.35127269 -2.76126359 -7.26389136
0.00031444 -0.00038288 0.00046185
0.00568097 -0.00569583 0.00150127
23.91566625 -1.06306221 -9.14272958
-0.00167060 0.00052205 0.00023723
0.00362126 0.00551413 -0.01034752
11.65253817 -9.92809611 -9.41781550
0.00015224 0.00021932 -0.00003331
0.00884557 -0.00972086 -0.01336918
12.85408314 -9.38639155 -12.08149952
0.00028286 -0.00053519 0.00030036
0.00224434 0.00784486 0.00202839
-7.45277753 -10.56742921 17.72997092
0.00120920 0.00001487 -0.00011040
-0.02379057 -0.00856340 -0.02604535
-10.23542074 -11.25126385 17.65858829
0.00003653 0.00109629 -0.00008475
-0.00988714 0.00426320 0.00101786
7.95075628 2.02633014 -29.29495926
0.00017174 -0.00055171 0.00041397
0.00398606 -0.00934835 0.00178183
5.46133221 0.71215755 -28.69242352
0.00005893 0.00006043 0.00118105
-0.01542502 -0.00596937 -0.00510242
14.35402086 19.24841264 13.48582912
0.00034538 0.00055224 0.00049141
-0.01453039 -0.00148411 0.00648180
13.07283287 17.79501562 11.44465479
0.00024076 -0.00038115 -0.00075565
-0.01417112 0.01438021 0.02634484
27.75222843 7.66688567 -11.65697860
-0.00004058 0.00001961 0.00014703
0.02387519 0.00447491 -0.00914784
26.19015721 7.66651323 -9.20987983
-0.00073032 -0.00017704 0.00034614
-0.00017696 -0.00027391 -0.01649100
-7.91742898 4.68180261 6.09232023
0.00012912 0.00011538 0.00006380
-0.00046517 -0.00756986 0.00317079
-10.46751422 9.18917874 2.92017826
0.00016571 -0.00006912 0.00012006
0.01388317 -0.00455039 0.01284506
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.07679876
0.29030076
386.81120713
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0603197674
ExchangeOperator: pair fraction: ispin=0: 0.1500703083
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.3297513030 (a.u.)
total exchange computation time: 2.9307179451 s
-154.0157750972
-931.36720055
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0603197674
ExchangeOperator: pair fraction: ispin=0: 0.1500703083
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.3297795383 (a.u.)
total exchange computation time: 2.9283430576 s
-154.0157994061
Anderson extrapolation: theta=1.3436347351 (1.3436347351)
-931.36741479
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0603197674
ExchangeOperator: pair fraction: ispin=0: 0.1500703083
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3297792591 (a.u.)
total exchange computation time: 2.9292900562 s
-154.0161347081
Anderson extrapolation: theta=0.0525524442 (0.0525524442)
-931.36754234
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0603197674
ExchangeOperator: pair fraction: ispin=0: 0.1500703083
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3297447720 (a.u.)
total exchange computation time: 2.9313931465 s
-154.0164719292
Anderson extrapolation: theta=2.0306826515 (2.0000000000)
-931.36754757
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0603197674
ExchangeOperator: pair fraction: ispin=0: 0.1500703083
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3296624640 (a.u.)
total exchange computation time: 2.9295368195 s
-154.0172367622
Anderson extrapolation: theta=0.2622762802 (0.2622762802)
-931.36755377
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0603197674
ExchangeOperator: pair fraction: ispin=0: 0.1500703083
ExchangeOperator: bisection time: 1.422 s
total exchange = -52.3296381950 (a.u.)
total exchange computation time: 2.9290599823 s
-154.0174385971
Anderson extrapolation: theta=1.8056859419 (1.8056859419)
-931.36755519
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0603197674
ExchangeOperator: pair fraction: ispin=0: 0.1500703083
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3296069767 (a.u.)
total exchange computation time: 2.9297070503 s
-154.0176767347
Anderson extrapolation: theta=0.3168835306 (0.3168835306)
-931.36755692
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0603197674
ExchangeOperator: pair fraction: ispin=0: 0.1500703083
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.3296100878 (a.u.)
total exchange computation time: 2.9302110672 s
-154.0176280056
Anderson extrapolation: theta=1.2058292500 (1.2058292500)
-931.36755737
18.932921 -16.236486 -167.649399
562.611359 1075.074985 -404.650758
581.544279 1058.838498 -572.300157
1336.734897
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0603197674
ExchangeOperator: pair fraction: ispin=0: 0.1500703083
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3296232069 (a.u.)
total exchange computation time: 2.9304459095 s
678.14230321
-1082.52104833
89.89949797
-389.87861070
-174.68007664
77.57023284
551.60419304
0.00000000
-931.36755769
4.58879298 -30.86140301 -3.54459478
-0.00007240 -0.00012863 0.00015195
-0.00111047 0.00742812 0.01875316
-11.90149901 2.06598073 -9.41643983
0.00020321 0.00005529 0.00016740
-0.02645031 0.00883775 -0.00990964
-36.19917929 1.28119939 3.13134303
-0.00009797 0.00023062 -0.00001888
0.01340898 0.03822718 -0.03034798
-7.48387562 -3.56772671 2.57530330
0.00001654 0.00015636 0.00012280
-0.01609267 -0.00374581 -0.01789591
2.25652899 0.11556746 8.96494991
0.00006260 -0.00004812 -0.00005098
0.01094250 -0.02674655 -0.01914946
-30.96082457 1.41128283 2.70706974
-0.00021811 0.00023652 -0.00014913
-0.04740999 -0.01427755 0.00123074
16.95540155 13.22901861 -17.97797400
-0.00035833 -0.00009727 -0.00059632
0.02880808 0.00807163 0.01685537
-3.42625140 5.20696317 5.55757125
0.00001044 -0.00016671 0.00006955
-0.00089834 0.01481904 -0.00326563
5.81150247 17.14784157 -6.96634515
-0.00011753 -0.00022806 0.00012184
0.03654436 0.04091658 0.01270732
7.22573956 5.67865283 -20.97363609
0.00028890 0.00021605 -0.00012592
-0.01544707 -0.01327793 -0.02559599
18.60878190 19.64311622 -5.10007974
0.00003506 -0.00000315 -0.00020136
0.00846970 -0.01076241 -0.01532672
1.95312239 13.93057660 -21.15926558
0.00014033 0.00006014 -0.00018085
-0.02743511 -0.01884468 0.01764446
10.32078311 -5.35538633 0.36675093
0.00023349 0.00005979 0.00033450
0.00576889 0.01905620 -0.02716047
-18.27290405 -3.99218358 5.34118640
0.00041404 -0.00036348 0.00002217
0.00431873 -0.03384534 0.00979955
-14.22698765 -1.39504480 20.56193280
-0.00019960 0.00013794 0.00020551
0.01594150 -0.02036713 0.04796443
1.59756585 3.69912154 -3.92908909
-0.00001781 0.00019295 -0.00016180
0.00517604 0.00304418 -0.01613713
21.25897386 -10.63816468 -4.44040132
-0.00026858 -0.00013807 -0.00003703
0.00770587 0.00319498 -0.04086701
3.06604588 -10.35247010 7.92039356
0.00011731 -0.00013958 -0.00026012
-0.01557424 0.01448306 -0.01099198
-1.85622100 -1.84185134 -19.51037746
-0.00006195 0.00009288 -0.00016050
-0.02084056 0.03434752 0.02015495
-0.25063048 3.53462067 -10.34480554
-0.00033771 0.00015941 -0.00042530
-0.05293168 0.01364452 0.05064662
-5.01925444 14.63112890 14.47072294
0.00006403 0.00009126 0.00007143
0.01922467 0.01493639 0.02601505
-5.45807756 2.66413106 -7.33100000
0.00017371 0.00025363 0.00018925
0.01583447 -0.01139695 -0.01258962
-9.18600990 0.75472173 -4.15712940
-0.00008106 0.00019380 0.00009588
-0.02308154 0.00397895 0.04700865
2.91854442 27.47553614 5.83736215
-0.00011130 -0.00009851 -0.00002065
0.01908963 0.04251476 0.04707905
10.01791319 -10.72385705 -1.55209351
0.00000413 -0.00035898 0.00016267
-0.01127866 0.01251320 -0.00707515
-6.77467727 0.98501425 9.22924043
-0.00003612 -0.00004468 0.00010743
-0.04467873 0.04180426 0.01147049
20.41580583 10.82981233 6.98285882
-0.00033173 -0.00005144 -0.00007659
-0.05851181 -0.01828036 -0.01369663
-3.08032939 1.10383955 -23.84022064
0.00018568 -0.00000803 -0.00002287
-0.02749008 -0.02118562 0.04394806
-13.81608782 8.80205688 8.56374359
0.00040928 0.00004527 0.00019048
-0.01759902 -0.01897945 -0.02469587
-13.47602038 6.07322069 -3.30822086
-0.00018247 -0.00012844 -0.00009421
-0.00479233 0.00773380 -0.01484905
-2.29374560 -15.37073720 20.57555188
-0.00028608 -0.00009081 -0.00011692
-0.00104592 0.00346897 0.00757791
-5.99532498 7.60668489 -8.11043609
-0.00004546 0.00034510 0.00038386
-0.00844200 -0.01774208 0.01547143
-19.76874909 30.42551154 1.02283394
0.00024548 -0.00007635 -0.00021858
0.01206646 0.02057717 0.01622215
9.86083719 3.79223898 7.94114599
-0.00015086 0.00006145 -0.00005575
-0.00207919 0.00568343 -0.00972468
7.17496772 15.99778820 -11.69691410
0.00009338 0.00010891 0.00022798
0.02348147 0.00031108 -0.00743773
13.77152079 5.12850191 -1.19656721
-0.00015736 -0.00038573 -0.00008283
-0.02242220 0.01495992 -0.01772031
-6.04620953 11.45067038 -2.15227327
-0.00008952 0.00007442 0.00029052
0.00977486 0.02238365 0.00320296
7.89686154 12.70482593 5.21921358
-0.00032026 -0.00021979 0.00028795
0.01318424 -0.02647028 -0.00333053
21.83700847 -12.02776249 -9.65123905
-0.00031219 0.00024260 0.00015087
-0.04516382 -0.00032414 -0.00615849
19.86223111 -5.95916840 -1.24483079
-0.00016575 0.00011200 0.00037803
0.01540429 0.00798020 0.01248772
14.69415345 8.00276673 8.74858965
0.00029628 0.00006673 0.00027171
0.00443598 -0.00047920 -0.01743901
3.80015849 -13.78721720 16.40389171
0.00000224 0.00006586 0.00020102
-0.00451174 -0.03089929 -0.01163004
-2.54838035 -2.43569724 -13.71672445
-0.00010614 0.00009005 0.00008391
-0.02648857 -0.01923203 0.00657967
15.51273224 -7.36024426 -13.15982669
-0.00012813 0.00006431 -0.00001355
0.00465857 -0.00765718 0.00029245
9.65188744 -3.66723425 6.70782847
0.00044767 -0.00018775 -0.00006627
-0.01468667 0.01035834 0.02756775
-19.41411798 1.38971606 24.90148312
0.00002131 0.00010272 -0.00001370
0.05455678 0.02043848 -0.00937122
24.32243385 -1.24543164 -7.39252988
-0.00030421 0.00022833 -0.00012835
-0.00123891 0.00068285 0.01239493
11.65330711 -10.47535567 -11.21060804
-0.00004708 -0.00010592 -0.00038783
-0.01154888 0.01376989 0.02389173
-8.92479957 -10.80766879 16.47175119
0.00016535 0.00015714 0.00007187
0.01448744 0.00249040 0.00116425
6.81332553 1.58823083 -27.87568715
0.00025432 -0.00000332 -0.00014586
0.01704670 0.01244597 0.00108036
12.62460239 18.77821719 13.00934909
-0.00009601 -0.00024828 -0.00024306
0.03504167 -0.01760416 -0.03293812
26.05525758 7.52977996 -11.08768481
-0.00011281 0.00008347 0.00000827
-0.01237143 -0.00463784 0.02537763
5.24548119 -29.58743796 -4.69194883
-0.00022422 -0.00066593 -0.00043507
0.00223972 0.00294633 -0.00583071
4.25974517 -29.91142867 -1.96669654
-0.00006212 0.00043623 -0.00062117
-0.00393099 -0.01709774 -0.01296006
-10.19039542 1.94745173 -8.94706096
0.00124753 0.00065196 0.00057013
0.02011305 -0.00179662 0.00477776
-11.97929412 2.71529020 -11.16444845
0.00052100 -0.00029064 -0.00008160
0.00034848 -0.00387594 0.00589349
-37.04068074 2.83316654 2.24899677
0.00011657 0.00052086 0.00091270
0.02428622 -0.01432167 0.01853784
-37.56596867 0.43961131 3.84123712
0.00078508 0.00033045 0.00015530
-0.03242361 -0.02641811 0.01571765
-8.72927239 -4.32964232 1.34072776
0.00071131 0.00063689 -0.00019648
0.01267993 0.00398388 0.02131687
-6.22762704 -4.81876178 2.98530209
-0.00007569 0.00005503 -0.00047537
-0.00301620 -0.00634537 -0.00071983
2.70939510 0.03066303 7.16468411
0.00036437 -0.00035920 0.00115769
-0.00549075 -0.00260579 0.01558223
1.62447277 1.75467056 9.26033168
-0.00011382 0.00040679 0.00041690
-0.00919591 0.02499806 0.00555356
-30.30759896 -0.28651218 2.40732454
0.00052558 -0.00009276 0.00017469
0.01197603 -0.00008668 0.00465021
-32.84388765 0.92063454 2.89121050
0.00045470 -0.00063143 -0.00040412
0.03531590 0.02215408 -0.00133783
15.54207105 12.18887204 -18.28888295
0.00132712 -0.00016732 -0.00004678
-0.02050694 -0.01676164 -0.00419732
18.16536035 12.19244300 -16.91091155
0.00094041 -0.00038172 0.00018591
-0.00793503 0.00818635 -0.01445688
-3.04631722 6.88023398 6.28993564
-0.00001912 -0.00020152 0.00009743
-0.00079947 -0.01442890 -0.00685746
-3.04105728 5.37507178 3.77482018
0.00007675 -0.00057876 -0.00093651
0.00264486 0.00126247 0.00551711
5.77335089 16.51122254 -8.66423725
-0.00007010 0.00013873 -0.00105773
0.00537630 -0.01038438 -0.02057062
7.39979501 18.25949630 -7.06155070
-0.00036302 0.00020332 0.00001143
-0.03837608 -0.02857363 0.00669925
7.53420431 5.42491283 -22.88998082
-0.00069480 -0.00178351 0.00137852
0.00110625 0.01311929 0.02839655
8.56504843 6.77613742 -20.37734244
-0.00043424 0.00022396 0.00027063
0.00521872 0.00265330 0.00137588
19.19620748 21.04978993 -4.04232740
0.00021956 0.00050294 0.00093792
0.00167270 0.00309118 -0.00065600
19.65041978 19.61090320 -6.62311874
-0.00120820 -0.00055185 -0.00040445
-0.00275583 0.00393839 0.01465731
1.70813593 12.20818686 -20.46376620
-0.00111655 0.00053102 -0.00000427
0.01614064 0.01416800 -0.01128902
0.16396431 14.36125425 -21.47915018
0.00011634 0.00057022 -0.00128150
0.01758119 0.00976453 -0.00504869
10.68450072 -6.70724433 -0.82802798
-0.00097097 -0.00051230 0.00068147
-0.00409957 -0.00270216 0.00530789
9.76216408 -3.90751852 -0.78616716
-0.00007591 0.00034250 -0.00111732
-0.00157614 -0.02052040 0.02082122
-18.34438383 -5.01554243 6.90895446
0.00064268 -0.00025362 -0.00020726
-0.00265393 0.01311277 -0.01553649
-18.73570035 -5.25636195 4.04438524
0.00022224 0.00010330 -0.00060578
0.00045887 0.01524294 0.00807666
-14.38439892 -0.23496821 19.23887160
0.00040683 0.00004235 -0.00051190
-0.00818980 0.02884586 -0.03408804
-14.05851445 -0.43099456 22.16603169
-0.00012897 -0.00014901 0.00055506
-0.00674308 -0.00811059 -0.01463281
1.36750322 3.37834207 -2.16687418
-0.00064719 -0.00110729 -0.00078094
0.00418320 -0.01269681 0.00617927
2.05873896 2.11466846 -4.78102894
0.00027266 -0.00010345 -0.00048128
-0.00693321 0.01077441 0.01004460
21.92723546 -10.58199811 -6.21911974
0.00074469 0.00009886 -0.00074381
-0.02661187 -0.00277423 0.02634794
22.61894074 -9.77267859 -3.65907419
0.00098917 0.00022969 0.00012812
0.01452925 0.01028349 0.02034751
4.61738438 -10.33532455 6.99276824
-0.00090227 -0.00008212 0.00022169
0.01122520 -0.00465819 0.00075259
3.00538921 -11.79729329 9.01247166
0.00053719 -0.00020299 -0.00010489
0.00772648 -0.00807972 0.00916935
-2.00837429 -3.18754607 -20.67451206
-0.00034211 0.00006012 -0.00053780
-0.00488908 -0.02416534 -0.01578317
-3.50575118 -1.65801256 -18.64868199
0.00021552 -0.00046533 -0.00018409
0.02316097 -0.00858820 -0.00778856
0.50327673 5.10551123 -9.74179701
-0.00056557 -0.00072574 0.00009342
0.00273299 -0.00855646 -0.01132908
-1.85587937 3.51247281 -9.17840085
0.00109429 0.00039480 0.00091227
0.04813985 -0.00216783 -0.03858579
-3.64451356 15.10030954 15.67274911
-0.00068203 0.00100387 -0.00048770
-0.01856735 -0.01190082 -0.02241918
-6.48960857 14.76762095 15.56709881
-0.00000671 0.00068115 -0.00105001
0.00016605 -0.00378465 -0.01076533
-6.77749994 1.97140015 -6.29039581
0.00015537 0.00017274 -0.00045964
-0.00647098 -0.01034869 0.00954642
-4.87412099 1.27267848 -8.39664935
0.00021510 0.00023625 0.00058919
-0.01146659 0.01159096 0.00693060
-10.21700461 -0.60766766 -3.37248111
0.00021371 -0.00055228 -0.00026693
0.01574120 0.01333595 -0.02010881
-9.44572184 2.11859409 -2.82330932
-0.00085406 0.00012959 0.00091740
0.01310728 -0.01186896 -0.02861506
2.89885978 29.14153326 5.03070558
0.00094794 0.00013627 -0.00016814
-0.00571808 -0.01260464 -0.00541073
3.44691000 28.04876268 7.61770338
-0.00042565 -0.00063759 -0.00056392
-0.01529026 -0.02392179 -0.03656995
8.23697311 -10.41231766 -1.14979204
-0.00092557 -0.00085317 0.00101848
0.01461918 -0.00144805 -0.00241204
10.95619006 -11.09250062 0.02954537
-0.00041773 0.00043729 0.00012834
-0.01551743 -0.00375644 -0.00623496
-5.29443680 0.11798783 8.89788984
0.00022613 0.00022613 -0.00037132
0.03524243 -0.03662535 -0.01235897
-8.23100553 -0.10405709 9.26554604
-0.00003134 0.00079176 -0.00033896
0.00743593 -0.00651010 -0.00157204
20.42333185 11.06475465 8.74766817
-0.00054616 0.00013252 0.00071331
0.00304203 -0.00045479 0.02674466
22.02163821 11.28427010 6.46943098
0.00065236 -0.00076062 -0.00095659
0.05273347 0.01421336 -0.00983405
-2.84091109 0.33515518 -22.00028623
-0.00014092 -0.00098260 -0.00108924
-0.00422821 0.01638689 -0.05153765
-4.95442247 1.08156468 -24.14617213
-0.00123295 0.00028130 -0.00031293
0.03089265 0.00294110 0.00843543
-12.69673392 9.55043081 9.75620846
0.00041893 0.00071348 0.00035358
0.01720654 0.01353674 0.01101508
-13.60089154 9.78469700 7.00090565
0.00047521 -0.00057772 -0.00064550
-0.00434924 -0.00596833 0.01756468
-14.04295550 5.00320076 -4.70188309
-0.00104441 -0.00056726 0.00034135
-0.00164940 0.00181220 0.00745858
-14.16610327 7.75481619 -3.64413476
0.00067264 0.00091710 -0.00087759
0.00505520 -0.01023745 -0.00030092
-4.03817089 -15.60151620 20.15550885
0.00021249 0.00010564 0.00030604
-0.01073862 0.00116345 0.00386667
-1.53275647 -16.62957566 19.52733808
0.00011003 -0.00045753 0.00007322
0.00644423 -0.00721307 -0.00880204
-5.89546490 5.86278002 -7.42316766
0.00128818 0.00036642 0.00017195
0.00525809 0.01336427 -0.01824035
-7.37054354 8.29501708 -7.07868263
-0.00021462 -0.00056868 0.00017228
0.00682134 0.01460621 -0.00754264
-21.15334625 29.54857853 0.29728776
-0.00012373 -0.00157731 0.00076089
-0.00898196 -0.01045298 -0.00620441
-18.24367000 29.42059301 1.18594797
0.00056374 -0.00009456 -0.00116351
-0.00209422 -0.00652070 -0.00711615
9.33035336 2.76856059 6.47140773
0.00066328 0.00040564 0.00110234
-0.00413450 0.01613248 0.01232818
9.09133896 5.52872769 7.97077909
0.00011083 -0.00064909 -0.00055611
0.00735965 -0.01850028 -0.00669519
8.19071158 17.44740484 -12.27983422
-0.00048644 0.00075750 -0.00040047
-0.00809112 -0.01050668 0.00621207
8.43950916 14.63929787 -11.90574086
0.00024592 0.00110657 -0.00075876
-0.01603249 0.00655968 0.00244113
12.08743146 5.98827577 -1.27861812
-0.00113424 0.00016268 0.00075416
0.02899546 -0.01431007 0.00181219
13.82624717 4.18826059 0.35288773
-0.00059923 -0.00015209 -0.00060693
-0.00403118 -0.00606727 0.01221357
-4.27536777 11.20422949 -1.98177526
-0.00027765 0.00016577 -0.00038092
0.01974366 -0.00944899 -0.00345253
-6.90593261 10.66515869 -0.80391304
-0.00169696 0.00056369 0.00026031
-0.00795342 -0.01268795 0.01899174
7.32679652 14.23838984 4.56309669
0.00039873 -0.00046418 0.00068664
-0.01033934 0.03140959 -0.01094426
9.07247622 12.04260650 3.93336705
0.00097513 -0.00018842 -0.00084291
-0.00472783 0.00144874 0.00975949
20.46340501 -13.01776494 -8.87380051
-0.00042019 -0.00111254 0.00077076
0.00580409 0.01078658 -0.00701124
23.25181406 -12.34452883 -8.63695520
-0.00053000 -0.00005875 -0.00048956
0.02879290 -0.01097445 0.01269554
19.94817965 -4.88592891 -2.73173134
0.00062055 0.00028181 0.00025654
-0.00640257 0.00231614 -0.00385013
18.34222953 -6.90116249 -1.37970134
-0.00076176 -0.00034985 0.00054848
-0.01427570 -0.00651835 -0.00251002
13.83987770 9.59067469 8.57280476
0.00033586 0.00039582 0.00042262
-0.00130377 -0.00388999 0.00466731
15.00486753 7.77356361 10.51626845
0.00028885 -0.00059678 -0.00046901
0.00338256 0.00111479 0.01902886
2.95980334 -15.25837327 17.29194305
0.00026925 -0.00007084 -0.00055758
0.01133085 0.03133529 -0.00467353
3.80711820 -12.16716236 17.24224306
-0.00084585 0.00028196 -0.00091364
-0.00548216 -0.00467537 0.01347002
-2.76095367 -3.92479704 -12.61778491
0.00023652 0.00016303 0.00032069
0.00688334 0.02141627 -0.01149385
-1.21333998 -1.36149550 -13.13776150
0.00088722 0.00004513 -0.00012664
0.01952041 -0.00174321 0.00383045
16.19545124 -7.78770022 -14.84609476
0.00042047 0.00035946 -0.00056354
-0.00677513 0.00342261 0.00474303
16.59491704 -8.19989633 -11.93510905
0.00078059 -0.00105872 -0.00040515
-0.00195189 0.00656394 0.00032783
7.83517004 -3.89698340 6.47511605
-0.00072200 0.00027166 -0.00066489
0.01160517 0.00169190 -0.01587005
10.57342343 -4.03550037 5.22354385
-0.00031588 -0.00076457 -0.00011390
0.00340314 -0.00640397 -0.01883136
-21.08041160 0.93774672 25.10120207
-0.00006871 -0.00072604 0.00014609
-0.04699719 -0.01486062 0.00853125
-19.11309365 2.96609484 25.84190466
0.00011719 -0.00032201 0.00004944
-0.01015891 -0.00977307 -0.00050474
25.35616332 -2.76718127 -7.25691760
0.00032996 -0.00039538 0.00046443
0.00191609 -0.00042261 -0.00023669
23.89071828 -1.05506256 -9.13948819
-0.00165414 0.00054249 0.00019549
0.00443329 0.00449378 -0.01008370
11.65509285 -9.92510421 -9.41872478
0.00018771 0.00017726 -0.00009247
0.00851454 -0.01086665 -0.01559329
12.85839485 -9.39417899 -12.07693196
0.00029511 -0.00050014 0.00030509
0.00375157 0.00931111 0.00028552
-7.43536854 -10.56746862 17.72751676
0.00110680 -0.00002087 -0.00021817
-0.02633357 -0.00893011 -0.02670869
-10.23517578 -11.23468881 17.65734822
-0.00000498 0.00111280 -0.00007788
-0.01042951 0.00381603 0.00234392
7.95345458 2.01776799 -29.28869512
0.00019146 -0.00058828 0.00041479
0.00566654 -0.00855337 -0.00138062
5.46174348 0.71288114 -28.67486407
-0.00000889 0.00003282 0.00115573
-0.01777103 -0.00754569 -0.00729623
14.35875632 19.25665070 13.49339888
0.00027571 0.00054224 0.00051322
-0.01957617 -0.00340885 0.00419429
13.07601009 17.78973908 11.43412734
0.00018297 -0.00031891 -0.00064251
-0.01412165 0.01608693 0.02903615
27.75235133 7.66731697 -11.65505345
0.00005623 0.00003778 0.00011078
0.02351241 0.00442007 -0.00859625
26.17919694 7.66384922 -9.20519305
-0.00072989 -0.00017791 0.00027563
0.00039025 -0.00015262 -0.01802614
-7.91549348 4.68351294 6.09328573
0.00012895 0.00011268 0.00006492
-0.00047342 -0.00747030 0.00309554
-10.46500446 9.18813405 2.92200159
0.00016890 -0.00007018 0.00012305
0.01365749 -0.00457222 0.01286034
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.07678519
0.29077250
387.43977369
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0601744186
ExchangeOperator: pair fraction: ispin=0: 0.1492915089
ExchangeOperator: bisection time: 1.512 s
total exchange = -52.3197536562 (a.u.)
total exchange computation time: 3.0205159187 s
-153.9757167839
-931.36645990
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0601744186
ExchangeOperator: pair fraction: ispin=0: 0.1492915089
ExchangeOperator: bisection time: 1.422 s
total exchange = -52.3199004554 (a.u.)
total exchange computation time: 3.0210771561 s
-153.9748839591
Anderson extrapolation: theta=1.3589007491 (1.3589007491)
-931.36667763
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0601744186
ExchangeOperator: pair fraction: ispin=0: 0.1492915089
ExchangeOperator: bisection time: 1.421 s
total exchange = -52.3200597596 (a.u.)
total exchange computation time: 3.0221879482 s
-153.9741310912
Anderson extrapolation: theta=0.0560763569 (0.0560763569)
-931.36680978
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0601744186
ExchangeOperator: pair fraction: ispin=0: 0.1492915089
ExchangeOperator: bisection time: 1.422 s
total exchange = -52.3200327437 (a.u.)
total exchange computation time: 3.0210769176 s
-153.9744632593
Anderson extrapolation: theta=2.0988237150 (2.0000000000)
-931.36681547
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0601744186
ExchangeOperator: pair fraction: ispin=0: 0.1492915089
ExchangeOperator: bisection time: 1.421 s
total exchange = -52.3199660758 (a.u.)
total exchange computation time: 3.0239541531 s
-153.9752189303
Anderson extrapolation: theta=0.2887264727 (0.2887264727)
-931.36682207
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0601744186
ExchangeOperator: pair fraction: ispin=0: 0.1492915089
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.3199458826 (a.u.)
total exchange computation time: 3.0245440006 s
-153.9754223221
Anderson extrapolation: theta=1.5372623110 (1.5372623110)
-931.36682353
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0601744186
ExchangeOperator: pair fraction: ispin=0: 0.1492915089
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3199278691 (a.u.)
total exchange computation time: 3.0213081837 s
-153.9755964211
Anderson extrapolation: theta=0.3556343501 (0.3556343501)
-931.36682498
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0601744186
ExchangeOperator: pair fraction: ispin=0: 0.1492915089
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3199347962 (a.u.)
total exchange computation time: 3.0239691734 s
-153.9755230131
Anderson extrapolation: theta=1.0712353699 (1.0712353699)
-931.36682536
19.001102 -16.251988 -167.627480
562.600982 1075.059921 -404.689410
581.602085 1058.807933 -572.316891
1336.743000
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0601744186
ExchangeOperator: pair fraction: ispin=0: 0.1492915089
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3199516679 (a.u.)
total exchange computation time: 3.0205698013 s
678.00382082
-1082.20957675
89.90534735
-390.09090080
-174.65556451
77.39576240
551.60419304
0.00000000
-931.36682555
4.58770277 -30.86330374 -3.54224314
-0.00007292 -0.00012513 0.00016100
-0.00092334 0.00616496 0.01641727
-11.89855285 2.06684411 -9.41396700
0.00019214 0.00005964 0.00016279
-0.01662387 0.00810544 -0.00803070
-36.20059717 1.28480620 3.13094276
-0.00008981 0.00025077 -0.00003492
0.01832091 0.04012483 -0.03201265
-7.48368958 -3.56539578 2.57707624
0.00000859 0.00015483 0.00011389
-0.01481441 -0.00219611 -0.01675255
2.25751026 0.11474251 8.96411133
0.00006721 -0.00006058 -0.00005851
0.00697131 -0.02169487 -0.01013791
-30.96427908 1.41477557 2.70483756
-0.00024150 0.00022827 -0.00014871
-0.04356327 -0.01780729 0.00039383
16.95013778 13.22759073 -17.98685375
-0.00033990 -0.00009216 -0.00058609
0.04286381 0.01179166 0.02292966
-3.42609823 5.20451974 5.55860195
0.00001028 -0.00015921 0.00006615
0.00025036 0.01434925 -0.00995624
5.80988042 17.14457853 -6.96446853
-0.00009899 -0.00020764 0.00012652
0.03557040 0.03850022 0.00547209
7.23001353 5.68184240 -20.97562369
0.00027991 0.00020867 -0.00013758
-0.01954123 -0.01543644 -0.01973560
18.60934053 19.64302749 -5.10315923
0.00003914 -0.00000756 -0.00020728
0.00736679 -0.00640574 -0.00769669
1.95512155 13.93140595 -21.16191029
0.00012568 0.00005098 -0.00017204
-0.02953615 -0.01677664 0.01663087
10.32430766 -5.35441602 0.37166360
0.00023597 0.00007058 0.00031964
0.00389453 0.02291448 -0.03062103
-18.26667672 -3.99776639 5.34155680
0.00041629 -0.00038057 0.00002661
0.00442152 -0.03258695 0.00746454
-14.22992015 -1.39305420 20.56520051
-0.00019151 0.00012806 0.00022938
0.01550097 -0.01807491 0.04485375
1.59731867 3.70202746 -3.93157840
-0.00001483 0.00019372 -0.00017096
0.00639627 -0.00001969 -0.01946429
21.25497487 -10.64022336 -4.44111436
-0.00026201 -0.00013508 -0.00005807
0.01784145 0.00842639 -0.04097683
3.06774546 -10.35450798 7.91644943
0.00010724 -0.00013252 -0.00026437
-0.02358071 0.01297581 -0.00554653
-1.85723071 -1.84032567 -19.51270720
-0.00007225 0.00010973 -0.00015099
-0.01920976 0.03117233 0.01681180
-0.25590031 3.53706444 -10.35098961
-0.00036498 0.00016556 -0.00039952
-0.05311584 0.01029075 0.04957475
-5.01821984 14.63255537 14.47189467
0.00007391 0.00009864 0.00008336
0.01920225 0.01376941 0.02039171
-5.45541090 2.66789156 -7.32820979
0.00018209 0.00024817 0.00018270
0.01675779 -0.00984125 -0.01288521
-9.18731488 0.75764401 -4.15550985
-0.00009319 0.00019599 0.00012065
-0.02406902 0.00455330 0.04929455
2.91694856 27.47422245 5.83723405
-0.00010172 -0.00007657 0.00000241
0.01815857 0.04281409 0.04256146
10.01793165 -10.72919344 -1.54968070
-0.00000373 -0.00035209 0.00015910
-0.01929876 0.01426594 -0.00680847
-6.77539145 0.98450528 9.23089613
-0.00005762 -0.00002276 0.00011323
-0.03890746 0.04343767 0.01109174
20.41060411 10.82897020 6.98165719
-0.00035960 -0.00005989 -0.00008278
-0.04985526 -0.01458397 -0.01037033
-3.07765018 1.10363732 -23.84039423
0.00016945 -0.00001888 -0.00000146
-0.03562691 -0.02097204 0.03933617
-13.81001645 8.80266279 8.56650546
0.00040073 0.00003601 0.00017783
-0.01566629 -0.01703505 -0.02448300
-13.47877595 6.07132395 -3.30969130
-0.00018545 -0.00012352 -0.00010237
-0.00677233 0.01140394 -0.01686517
-2.29804080 -15.37208592 20.57382738
-0.00028504 -0.00008935 -0.00011309
0.00509179 0.00218862 0.00731196
-5.99603942 7.61179293 -8.10461851
-0.00004919 0.00033577 0.00039139
-0.00606218 -0.01854014 0.01380345
-19.76502028 30.42444572 1.01961781
0.00025085 -0.00006687 -0.00021088
0.00881729 0.01627846 0.01372383
9.85856624 3.79318269 7.94027227
-0.00015084 0.00006458 -0.00005901
0.00217668 0.00648596 -0.00294646
7.17645903 15.99942305 -11.69352308
0.00010515 0.00011033 0.00022395
0.02227864 0.00521829 -0.00825383
13.76907392 5.12277361 -1.19787799
-0.00017044 -0.00037677 -0.00009276
-0.02844552 0.01990164 -0.02088451
-6.04751457 11.45187296 -2.14790315
-0.00008579 0.00008565 0.00029271
0.00471032 0.02129318 0.00530986
7.89210844 12.70142701 5.22352002
-0.00031149 -0.00023538 0.00028491
0.02093665 -0.03417357 -0.00849981
21.83215135 -12.02412473 -9.64899974
-0.00033747 0.00024162 0.00014794
-0.05313782 -0.00349962 -0.00522167
19.85980429 -5.95745766 -1.23911221
-0.00015903 0.00011553 0.00038418
0.01073855 0.00574476 0.01144698
14.69861471 8.00376578 8.75259810
0.00029815 0.00006702 0.00026139
0.00283496 0.00160745 -0.02269103
3.80017468 -13.78634853 16.40686217
0.00000028 0.00004981 0.00019418
-0.00309372 -0.03149291 -0.01496368
-2.55007466 -2.43442063 -13.71544039
-0.00011868 0.00008102 0.00008778
-0.02225322 -0.01589387 0.00846841
15.51082828 -7.35930918 -13.16002886
-0.00012433 0.00005938 -0.00001339
0.01011208 -0.01149964 0.00032957
9.65854584 -3.67001061 6.70694083
0.00043782 -0.00018257 -0.00005210
-0.02363183 0.00978952 0.02752860
-19.41358792 1.39133566 24.90124152
0.00004821 0.00011242 -0.00001879
0.05006067 0.01727048 -0.01042550
24.31786590 -1.24200405 -7.39440732
-0.00030402 0.00022764 -0.00012165
0.00196576 -0.00338221 0.01366595
11.65255644 -10.47689142 -11.21633336
-0.00005324 -0.00009887 -0.00037462
-0.01243383 0.01365248 0.02747345
-8.92226345 -10.80530210 16.47283380
0.00017337 0.00015859 0.00007228
0.01670771 0.00317200 0.00039621
6.81720606 1.58822900 -27.87787086
0.00026305 0.00000318 -0.00014401
0.01689079 0.01283325 0.00611173
12.62329746 18.77442511 13.00557608
-0.00007693 -0.00025718 -0.00025994
0.03914599 -0.01700376 -0.03270438
26.05351778 7.53101414 -11.08746287
-0.00011897 0.00008111 0.00002138
-0.01159448 -0.00454104 0.02560337
5.24218655 -29.59733668 -4.69865363
-0.00021464 -0.00065342 -0.00045916
0.00245087 0.00317745 -0.00596012
4.25869290 -29.90540916 -1.97641117
-0.00007883 0.00036868 -0.00066920
-0.00424865 -0.01596992 -0.01055328
-10.17106617 1.95717605 -8.93836262
0.00130998 0.00064620 0.00058421
0.01045811 -0.00102149 0.00211422
-11.97146840 2.71081180 -11.16549190
0.00052214 -0.00030636 -0.00005606
0.00020693 -0.00381744 0.00661247
-37.03818800 2.84054063 2.26325538
0.00021417 0.00046267 0.00098694
0.02348864 -0.01416217 0.01779889
-37.55518597 0.44375859 3.84404825
0.00064374 0.00021729 0.00022401
-0.03676631 -0.02897728 0.01791671
-8.71821420 -4.31996683 1.33843381
0.00075904 0.00065112 -0.00011264
0.01068414 0.00298209 0.01972093
-6.22885476 -4.81813072 2.97814954
-0.00008630 0.00002802 -0.00047737
-0.00217807 -0.00687890 -0.00026198
2.71469234 0.02519515 7.18252688
0.00034541 -0.00036951 0.00120561
-0.00378675 -0.00244030 0.00787558
1.62248373 1.76153842 9.26675537
-0.00014711 0.00049828 0.00043684
-0.00710054 0.01978962 0.00420692
-30.29934834 -0.28790617 2.41008733
0.00057211 -0.00008640 0.00019483
0.01080252 0.00319604 0.00521042
-32.83598499 0.91184192 2.88510774
0.00059385 -0.00054086 -0.00040880
0.03279984 0.02218150 -0.00095451
15.56134938 12.18584868 -18.28971322
0.00122326 -0.00025036 -0.00006840
-0.03033180 -0.02388893 -0.00638519
18.17922336 12.18696812 -16.90856588
0.00090041 -0.00034115 0.00012029
-0.01164745 0.01167278 -0.01766459
-3.04662851 6.87676903 6.29118696
-0.00002193 -0.00025938 0.00006861
-0.00057630 -0.01389335 -0.00725147
-3.03982494 5.36642908 3.76094156
0.00008472 -0.00057375 -0.00089954
0.00125428 0.00119194 0.01257967
5.77246420 16.51298530 -8.68073354
-0.00004736 0.00010148 -0.00112741
0.00575471 -0.00784932 -0.01353879
7.39317374 18.26167048 -7.06117390
-0.00051875 0.00008658 0.00003906
-0.03785252 -0.02857060 0.00682439
7.52381618 5.39856226 -22.86843288
-0.00068654 -0.00172720 0.00148368
0.00293899 0.01444120 0.02307828
8.55869468 6.77957815 -20.37324080
-0.00040821 0.00023807 0.00027543
0.00752600 0.00425122 0.00097240
19.19955212 21.05742875 -4.02827871
0.00022300 0.00050572 0.00092577
0.00001009 -0.00172785 -0.00528993
19.63221236 19.60274608 -6.62873627
-0.00121393 -0.00053432 -0.00035015
-0.00005092 0.00464631 0.01192107
1.69188226 12.21658637 -20.46417612
-0.00104998 0.00058568 -0.00004912
0.01644859 0.01258845 -0.01066684
0.16624819 14.37010682 -21.49852737
0.00019146 0.00060953 -0.00130122
0.01918896 0.00947719 -0.00460607
10.66981048 -6.71501161 -0.81764325
-0.00098698 -0.00052386 0.00070289
-0.00373314 -0.00295538 0.00517438
9.76097710 -3.90300989 -0.80228892
-0.00007980 0.00025206 -0.00102489
-0.00032878 -0.02374774 0.02442489
-18.33482499 -5.01894496 6.90536952
0.00063114 -0.00020306 -0.00026807
-0.00299424 0.01163597 -0.01423118
-18.73235273 -5.25434541 4.03554597
0.00022473 0.00016599 -0.00057039
0.00076156 0.01544640 0.00924679
-14.37854739 -0.23344905 19.23014854
0.00037469 0.00015465 -0.00064298
-0.00754588 0.02612572 -0.03007630
-14.06065558 -0.43347831 22.17390918
-0.00015668 -0.00018157 0.00049332
-0.00682142 -0.00782710 -0.01559007
1.35792361 3.36134361 -2.17839889
-0.00063101 -0.00115870 -0.00075065
0.00373737 -0.01246616 0.00864776
2.06261641 2.11344685 -4.78794034
0.00024255 -0.00005419 -0.00043883
-0.00780492 0.01333813 0.01073610
21.93759040 -10.58060015 -6.22946944
0.00063111 0.00008724 -0.00062678
-0.02898760 -0.00291552 0.03093621
22.63422356 -9.76891811 -3.65652882
0.00103237 0.00026134 0.00020229
0.00661744 0.00520906 0.01595844
4.60419427 -10.33669904 6.99611667
-0.00083986 -0.00010045 0.00021464
0.01932387 -0.00431848 -0.00420609
3.01368377 -11.80058580 9.01117922
0.00056818 -0.00023390 -0.00006860
0.00744349 -0.00704715 0.00859733
-2.01365577 -3.18738478 -20.68306277
-0.00036085 -0.00003426 -0.00059817
-0.00428433 -0.02203352 -0.01376576
-3.50180872 -1.66525573 -18.65168197
0.00030578 -0.00049898 -0.00021322
0.02102492 -0.00788334 -0.00647132
0.49487688 5.09436289 -9.74074288
-0.00054761 -0.00075127 0.00004885
0.00605886 -0.00394137 -0.01048782
-1.83798987 3.51832841 -9.16589922
0.00128454 0.00038312 0.00075508
0.04498906 -0.00355019 -0.03835932
-3.65531300 15.11500297 15.66474656
-0.00075104 0.00095708 -0.00057298
-0.01521287 -0.01100373 -0.01932413
-6.48970406 14.77772224 15.55101878
-0.00001278 0.00066615 -0.00108855
-0.00313981 -0.00355882 -0.00810228
-6.77536771 1.97367416 -6.29699787
0.00012527 0.00012981 -0.00041718
-0.00826228 -0.01066634 0.01123788
-4.87124580 1.27657747 -8.38759913
0.00017028 0.00028137 0.00061481
-0.01047465 0.01049442 0.00561039
-10.21331661 -0.61554319 -3.37710123
0.00027926 -0.00049560 -0.00034965
0.01634832 0.01440952 -0.02038344
-9.45813112 2.12017421 -2.81042520
-0.00079923 0.00007770 0.00079605
0.01373089 -0.01353204 -0.03078587
2.91290373 29.14319099 5.02801762
0.00092440 0.00008159 -0.00018904
-0.00580513 -0.01415857 -0.00482047
3.44005664 28.03846585 7.60812392
-0.00048563 -0.00073245 -0.00070534
-0.01407062 -0.02251386 -0.03265379
8.22353749 -10.42515959 -1.13458882
-0.00085334 -0.00086089 0.00100439
0.02074179 -0.00233132 -0.00448470
10.94944862 -11.08605633 0.03127942
-0.00047748 0.00042055 0.00010627
-0.01373158 -0.00444171 -0.00457046
-5.28996496 0.12025752 8.89194137
0.00036435 0.00007900 -0.00042082
0.03241797 -0.03539640 -0.01187061
-8.23124772 -0.09238018 9.26041346
-0.00000700 0.00075921 -0.00034539
0.00447755 -0.00942130 -0.00157435
20.41523272 11.06672853 8.75918732
-0.00053175 0.00012926 0.00080669
0.00401150 -0.00114053 0.01896438
22.03303954 11.27329637 6.45478074
0.00084790 -0.00070822 -0.00098791
0.04298410 0.01143457 -0.00549784
-2.84315450 0.32091835 -22.01820404
-0.00015743 -0.00091614 -0.00129316
-0.00385312 0.01614373 -0.04828536
-4.97197014 1.08587429 -24.15060766
-0.00109120 0.00029329 -0.00027611
0.03849772 0.00292671 0.00959225
-12.68992265 9.56154776 9.76184975
0.00048473 0.00076613 0.00039283
0.01499873 0.01223627 0.00819698
-13.59389663 9.77584831 6.99176133
0.00045725 -0.00060379 -0.00056876
-0.00444151 -0.00679448 0.02000101
-14.05867213 4.99474739 -4.69653429
-0.00104996 -0.00055735 0.00037315
-0.00106868 0.00304074 0.00810694
-14.15585870 7.76825899 -3.65730789
0.00069651 0.00086440 -0.00087635
0.00662947 -0.01555725 0.00090930
-4.03531257 -15.59989590 20.16021791
0.00015937 0.00010875 0.00031918
-0.01526424 0.00035891 0.00256492
-1.53090853 -16.63665957 19.52816665
0.00013304 -0.00048266 0.00004050
0.00482085 -0.00508847 -0.00721212
-5.87598100 5.86868586 -7.42114735
0.00130828 0.00042081 0.00009823
0.00457895 0.01326133 -0.01784386
-7.37355387 8.28693442 -7.07632959
-0.00019025 -0.00050761 0.00014428
0.00510750 0.01529019 -0.00616262
-21.15547748 29.52459853 0.30851092
-0.00015197 -0.00161336 0.00074021
-0.00483835 -0.00719215 -0.00391419
-18.23527808 29.41897483 1.16827726
0.00055311 -0.00011893 -0.00119173
-0.00310892 -0.00541016 -0.00669823
9.34017590 2.77513961 6.48832053
0.00064146 0.00046174 0.00113955
-0.00654748 0.01132658 0.00588962
9.09322694 5.51842436 7.96223230
0.00013743 -0.00071629 -0.00058211
0.00566194 -0.01439240 -0.00603483
8.18316699 17.45844537 -12.28565098
-0.00052201 0.00071106 -0.00037327
-0.00931955 -0.01222455 0.00710271
8.44270673 14.65609749 -11.91704752
0.00018505 0.00112703 -0.00074894
-0.01376613 0.00345331 0.00236769
12.07130641 5.99027739 -1.26725016
-0.00100507 0.00009928 0.00075994
0.03423200 -0.01672475 0.00101829
13.81713514 4.18579332 0.34415809
-0.00061413 -0.00018176 -0.00054888
-0.00326098 -0.00845589 0.01620150
-4.27892751 11.20642648 -1.98759486
-0.00019400 0.00012514 -0.00039213
0.02120492 -0.01043793 -0.00203349
-6.93163066 10.67322526 -0.79942646
-0.00172165 0.00051615 0.00033008
-0.00413507 -0.01058525 0.01516054
7.33246067 14.23238962 4.57306097
0.00035312 -0.00032642 0.00063830
-0.01198662 0.03602296 -0.01272088
9.08695833 12.03982461 3.92102244
0.00094355 -0.00017642 -0.00078883
-0.01072948 0.00442578 0.01671583
20.45727997 -13.03412257 -8.86245391
-0.00038748 -0.00106031 0.00073606
0.01020913 0.01478057 -0.00997702
23.24474638 -12.34574635 -8.64390953
-0.00040516 -0.00010497 -0.00043401
0.03231650 -0.01165207 0.01449542
19.95729170 -4.88163077 -2.72800119
0.00059256 0.00028801 0.00024311
-0.00729791 0.00071734 -0.00272466
18.33036564 -6.90660996 -1.37155113
-0.00080876 -0.00036883 0.00053785
-0.00873145 -0.00277107 -0.00269088
13.84487571 9.59649276 8.57928713
0.00033251 0.00037598 0.00044267
-0.00033637 -0.00582087 0.00514614
15.00930386 7.76464600 10.50981643
0.00030386 -0.00059277 -0.00038180
0.00396907 0.00084875 0.02365816
2.96418937 -15.25847568 17.28343607
0.00031301 0.00005509 -0.00057294
0.01008693 0.03031090 -0.00284226
3.79426242 -12.16307620 17.22895119
-0.00086865 0.00026596 -0.00085532
-0.00567663 -0.00315770 0.01507961
-2.75719492 -3.92169534 -12.61332674
0.00026409 0.00024991 0.00027362
0.00661393 0.02111338 -0.01154737
-1.19943350 -1.36087198 -13.13954365
0.00095898 0.00003195 -0.00011498
0.01560474 -0.00470597 0.00187568
16.20155073 -7.78220342 -14.85440256
0.00038891 0.00037516 -0.00053816
-0.00867737 0.00425998 0.00768160
16.60656603 -8.21557595 -11.94117629
0.00076522 -0.00102598 -0.00041038
-0.00556801 0.00946322 -0.00288790
7.82469562 -3.89285663 6.46465634
-0.00065943 0.00028052 -0.00072680
0.01902637 0.00264461 -0.01443541
10.56878956 -4.04716523 5.22125828
-0.00029933 -0.00079156 -0.00019388
0.00469576 -0.00680601 -0.02031963
-21.08288237 0.92640077 25.10365490
-0.00025149 -0.00078408 0.00018047
-0.04247724 -0.01355089 0.00829752
-19.11164706 2.96096519 25.84263078
0.00007536 -0.00035835 0.00004966
-0.01031866 -0.00801582 0.00061399
25.36117139 -2.77312486 -7.24995836
0.00033041 -0.00038692 0.00045994
-0.00169594 0.00456356 -0.00196198
23.86604200 -1.04678750 -9.13686479
-0.00163417 0.00055870 0.00015573
0.00534549 0.00343919 -0.00938049
11.65816936 -9.92277829 -9.42058971
0.00022172 0.00013087 -0.00015953
0.00813617 -0.01184110 -0.01723119
12.86293648 -9.40139578 -12.07234691
0.00031325 -0.00045944 0.00030289
0.00512795 0.01061214 -0.00136245
-7.41957344 -10.56805532 17.72342573
0.00099505 -0.00005784 -0.00032773
-0.02837235 -0.00916813 -0.02692091
-10.23557000 -11.21787990 17.65625179
-0.00004822 0.00112766 -0.00006603
-0.01073844 0.00346004 0.00345637
7.95650016 2.00868165 -29.28251560
0.00021819 -0.00062161 0.00040251
0.00741559 -0.00775953 -0.00462934
5.46106564 0.71314228 -28.65775177
-0.00008508 -0.00000045 0.00112226
-0.01952886 -0.00874278 -0.00908477
14.36229203 19.26467984 13.50122569
0.00018685 0.00052470 0.00052599
-0.02392147 -0.00517765 0.00205908
13.07832186 17.78544845 11.42537940
0.00012580 -0.00025074 -0.00052006
-0.01386139 0.01728252 0.03090569
27.75391520 7.66801916 -11.65365513
0.00014974 0.00005557 0.00007732
0.02226262 0.00428912 -0.00778171
26.16826059 7.66117585 -9.20161102
-0.00072702 -0.00017824 0.00019977
0.00101404 -0.00000745 -0.01910573
-7.91356052 4.68518316 6.09426784
0.00012878 0.00011003 0.00006602
-0.00046712 -0.00736720 0.00304731
-10.46244715 9.18707344 2.92386970
0.00017205 -0.00007124 0.00012603
0.01343369 -0.00456533 0.01286334
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.07642213
0.29040342
386.94800254
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0601744186
ExchangeOperator: pair fraction: ispin=0: 0.1492915089
ExchangeOperator: bisection time: 1.514 s
total exchange = -52.3117647170 (a.u.)
total exchange computation time: 3.0230040550 s
-153.9420241176
-931.36522423
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0601744186
ExchangeOperator: pair fraction: ispin=0: 0.1492915089
ExchangeOperator: bisection time: 1.512 s
total exchange = -52.3119887432 (a.u.)
total exchange computation time: 3.0220000744 s
-153.9403406301
Anderson extrapolation: theta=1.3563062776 (1.3563062776)
-931.36543970
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0601744186
ExchangeOperator: pair fraction: ispin=0: 0.1492915089
ExchangeOperator: bisection time: 1.511 s
total exchange = -52.3122294727 (a.u.)
total exchange computation time: 3.0207090378 s
-153.9384962404
Anderson extrapolation: theta=0.0549456179 (0.0549456179)
-931.36557026
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0601744186
ExchangeOperator: pair fraction: ispin=0: 0.1492915089
ExchangeOperator: bisection time: 1.512 s
total exchange = -52.3121858753 (a.u.)
total exchange computation time: 3.0203490257 s
-153.9388288255
Anderson extrapolation: theta=2.0808667647 (2.0000000000)
-931.36557590
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0601744186
ExchangeOperator: pair fraction: ispin=0: 0.1492915089
ExchangeOperator: bisection time: 1.513 s
total exchange = -52.3120715793 (a.u.)
total exchange computation time: 3.0193068981 s
-153.9396363414
Anderson extrapolation: theta=0.2757335682 (0.2757335682)
-931.36558263
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0601744186
ExchangeOperator: pair fraction: ispin=0: 0.1492915089
ExchangeOperator: bisection time: 1.513 s
total exchange = -52.3120277235 (a.u.)
total exchange computation time: 3.0202038288 s
-153.9398896648
Anderson extrapolation: theta=1.5736272032 (1.5736272032)
-931.36558417
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0601744186
ExchangeOperator: pair fraction: ispin=0: 0.1492915089
ExchangeOperator: bisection time: 1.516 s
total exchange = -52.3119662845 (a.u.)
total exchange computation time: 3.0191171169 s
-153.9401780996
Anderson extrapolation: theta=0.3310282255 (0.3310282255)
-931.36558588
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0601744186
ExchangeOperator: pair fraction: ispin=0: 0.1492915089
ExchangeOperator: bisection time: 1.512 s
total exchange = -52.3119560098 (a.u.)
total exchange computation time: 3.0201110840 s
-153.9401589393
Anderson extrapolation: theta=1.0871752220 (1.0871752220)
-931.36558636
19.075984 -16.270514 -167.609794
562.592073 1075.043205 -404.730274
581.668057 1058.772691 -572.340068
1336.753714
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0601744186
ExchangeOperator: pair fraction: ispin=0: 0.1492915089
ExchangeOperator: bisection time: 1.515 s
total exchange = -52.3119536743 (a.u.)
total exchange computation time: 3.0220208168 s
677.88826434
-1081.94899587
89.90986850
-390.26802416
-174.63474585
77.25012406
551.60419304
0.00000000
-931.36558671
4.58660543 -30.86515692 -3.53976485
-0.00007330 -0.00012233 0.00016868
-0.00055997 0.00473239 0.01346618
-11.89573494 2.06777003 -9.41155611
0.00018609 0.00006363 0.00015920
-0.00688169 0.00739536 -0.00592505
-36.20187371 1.28872257 3.13029552
-0.00007950 0.00027149 -0.00005150
0.02176704 0.04042457 -0.03248387
-7.48361783 -3.56308178 2.57871993
0.00000143 0.00015412 0.00010568
-0.01303893 -0.00057516 -0.01515150
2.25854531 0.11375018 8.96319454
0.00006964 -0.00007026 -0.00006117
0.00246339 -0.01595852 -0.00019948
-30.96806967 1.41813093 2.70260841
-0.00026267 0.00021832 -0.00014873
-0.03873736 -0.02089681 -0.00047968
16.94520469 13.22625383 -17.99555660
-0.00031466 -0.00008510 -0.00057295
0.05528272 0.01567139 0.02814909
-3.42594312 5.20218700 5.55955583
0.00001064 -0.00015207 0.00005943
0.00116146 0.01338282 -0.01617606
5.80853279 17.14161250 -6.96254968
-0.00008118 -0.00018862 0.00012744
0.03366719 0.03542682 -0.00186526
7.23413675 5.68491288 -20.97776355
0.00026887 0.00020034 -0.00014596
-0.02338935 -0.01694209 -0.01283260
18.60995600 19.64288933 -5.10629809
0.00004257 -0.00000982 -0.00020924
0.00597542 -0.00235844 0.00008254
1.95689284 13.93210587 -21.16442669
0.00011011 0.00004299 -0.00016380
-0.03102521 -0.01428169 0.01540490
10.32786226 -5.35326893 0.37634003
0.00023755 0.00008314 0.00030314
0.00224970 0.02592676 -0.03353981
-18.26041529 -4.00360060 5.34198479
0.00041863 -0.00039682 0.00002980
0.00466681 -0.03062635 0.00492573
-14.23273306 -1.39120304 20.56881425
-0.00018369 0.00011954 0.00025121
0.01490499 -0.01504553 0.04001764
1.59712084 3.70493323 -3.93421787
-0.00001129 0.00019302 -0.00018159
0.00738697 -0.00272275 -0.02189161
21.25111352 -10.64221703 -4.44214353
-0.00025038 -0.00012945 -0.00007890
0.02740372 0.01347649 -0.04002396
3.06926313 -10.35644576 7.91246252
0.00009311 -0.00012632 -0.00026578
-0.03136452 0.01113558 0.00003858
-1.85838862 -1.83855952 -19.51490724
-0.00008156 0.00012472 -0.00014346
-0.01698521 0.02712539 0.01248379
-0.26157991 3.53958760 -10.35679122
-0.00039212 0.00016993 -0.00037455
-0.05242117 0.00670216 0.04754713
-5.01703710 14.63408805 14.47322372
0.00008363 0.00010532 0.00009224
0.01859816 0.01219700 0.01414136
-5.45261497 2.67157613 -7.32551899
0.00019078 0.00024355 0.00017617
0.01704993 -0.00810825 -0.01252457
-9.18880556 0.76060141 -4.15351000
-0.00010567 0.00019848 0.00014634
-0.02446601 0.00512787 0.05062347
2.91549279 27.47323906 5.83743431
-0.00009271 -0.00005466 0.00002285
0.01689267 0.04239204 0.03695413
10.01780123 -10.73441977 -1.54732041
-0.00001552 -0.00034436 0.00015560
-0.02655547 0.01579788 -0.00683176
-6.77640578 0.98433142 9.23263740
-0.00007565 -0.00000029 0.00011873
-0.03121598 0.04396255 0.01028538
20.40501778 10.82801555 6.98037555
-0.00038270 -0.00006639 -0.00008729
-0.03996702 -0.01068106 -0.00719523
-3.07524581 1.10327330 -23.84026436
0.00014938 -0.00002949 0.00001741
-0.04241435 -0.02029336 0.03404424
-13.80406595 8.80313727 8.56907847
0.00039327 0.00002777 0.00016554
-0.01334540 -0.01501375 -0.02328814
-13.48158377 6.06951518 -3.31129186
-0.00018934 -0.00011680 -0.00011150
-0.00838559 0.01471338 -0.01865818
-2.30229671 -15.37341776 20.57215929
-0.00028089 -0.00008862 -0.00010945
0.01102267 0.00066792 0.00680936
-5.99680063 7.61675795 -8.09869444
-0.00005168 0.00032614 0.00039796
-0.00362120 -0.01892138 0.01175800
-19.76122345 30.42350548 1.01650755
0.00025449 -0.00005969 -0.00020448
0.00532044 0.01162244 0.01116345
9.85631209 3.79417644 7.93937583
-0.00014852 0.00006811 -0.00005858
0.00684260 0.00723165 0.00460555
7.17812222 16.00109815 -11.69019573
0.00011614 0.00011425 0.00021956
0.02045241 0.01000570 -0.00881185
13.76640759 5.11719884 -1.19934989
-0.00018632 -0.00036549 -0.00010413
-0.03330580 0.02397019 -0.02334475
-6.04878327 11.45323981 -2.14349205
-0.00008459 0.00009623 0.00029611
-0.00005363 0.01987258 0.00792561
7.88751686 12.69776445 5.22776089
-0.00029909 -0.00025441 0.00027929
0.02726492 -0.03982294 -0.01333975
21.82688429 -12.02051397 -9.64680072
-0.00036632 0.00023904 0.00014563
-0.05904217 -0.00651990 -0.00376480
19.85746031 -5.95570260 -1.23330531
-0.00015472 0.00011791 0.00038978
0.00600886 0.00352834 0.01030599
14.70309784 8.00477724 8.75643149
0.00029925 0.00006832 0.00024859
0.00145076 0.00346370 -0.02710776
3.80016700 -13.78572282 16.40971719
-0.00000086 0.00003372 0.00018563
-0.00135588 -0.03110347 -0.01829549
-2.55194065 -2.43326665 -13.71409100
-0.00012894 0.00007389 0.00009253
-0.01766307 -0.01184374 0.00999567
15.50900233 -7.35846281 -13.16022849
-0.00011784 0.00005255 -0.00001321
0.01513980 -0.01504925 0.00037418
9.66502193 -3.67271144 6.70626556
0.00042374 -0.00017770 -0.00003817
-0.03111350 0.00917398 0.02663169
-19.41267167 1.39308851 24.90091948
0.00007226 0.00012025 -0.00002440
0.04345573 0.01319628 -0.01138470
24.31331312 -1.23860256 -7.39617933
-0.00030228 0.00022496 -0.00011441
0.00483206 -0.00702266 0.01447265
11.65170984 -10.47832185 -11.22184673
-0.00005980 -0.00009188 -0.00035977
-0.01305693 0.01355494 0.03027756
-8.91959843 -10.80291095 16.47391948
0.00018234 0.00016035 0.00007224
0.01815324 0.00364814 -0.00052408
6.82121690 1.58832618 -27.88000741
0.00027150 0.00000976 -0.00013969
0.01600060 0.01276375 0.01070157
12.62229452 18.77050184 13.00155075
-0.00005600 -0.00026568 -0.00027653
0.04225770 -0.01607270 -0.03180833
26.05168852 7.53221329 -11.08704342
-0.00012453 0.00007881 0.00003441
-0.01002228 -0.00440363 0.02506424
5.23904212 -29.60704067 -4.70572369
-0.00020441 -0.00064030 -0.00048338
0.00255555 0.00324582 -0.00589635
4.25738024 -29.90036840 -1.98677257
-0.00009698 0.00030644 -0.00070655
-0.00463577 -0.01449630 -0.00772907
-10.15109598 1.96683777 -8.92953470
0.00133322 0.00064338 0.00058741
0.00091616 -0.00035896 -0.00054870
-11.96363001 2.70609943 -11.16613011
0.00052271 -0.00032176 -0.00002783
0.00007359 -0.00372397 0.00720423
-37.03425573 2.84704678 2.27860482
0.00030779 0.00040585 0.00105766
0.02233856 -0.01365324 0.01681975
-37.54665653 0.44612997 3.84795743
0.00048830 0.00009608 0.00030000
-0.03932372 -0.03035298 0.01927971
-8.70650121 -4.31010858 1.33734847
0.00079788 0.00066090 -0.00003621
0.00832965 0.00180234 0.01769108
-6.23021596 -4.81792124 2.97098094
-0.00009368 -0.00000091 -0.00047754
-0.00143534 -0.00728372 0.00018108
2.71975751 0.01957770 7.20085231
0.00033398 -0.00037927 0.00122049
-0.00180841 -0.00233766 -0.00059242
1.62005952 1.76961910 9.27343688
-0.00017138 0.00056724 0.00045098
-0.00477959 0.01396281 0.00271508
-30.29043567 -0.28910428 2.41316944
0.00061371 -0.00006681 0.00021720
0.00956015 0.00639700 0.00573966
-32.82607217 0.90440872 2.87894647
0.00072094 -0.00045084 -0.00041175
0.02940972 0.02188626 -0.00048692
15.57876879 12.18136125 -18.29093481
0.00108127 -0.00036159 -0.00009845
-0.03917447 -0.03055669 -0.00832497
18.19237254 12.18220862 -16.90730281
0.00084651 -0.00028758 0.00004283
-0.01473589 0.01454950 -0.02025329
-3.04697513 6.87245260 6.29199387
-0.00002365 -0.00031418 0.00003863
-0.00026797 -0.01293304 -0.00742353
-3.03851574 5.35785942 3.74783390
0.00008730 -0.00056886 -0.00083512
0.00001167 0.00119959 0.01895396
5.77193019 16.51426700 -8.69805956
-0.00002308 0.00007447 -0.00116813
0.00612677 -0.00537103 -0.00639611
7.38423264 18.26209369 -7.06037886
-0.00067045 -0.00002878 0.00006714
-0.03640578 -0.02789707 0.00692123
7.51360817 5.37309674 -22.84547057
-0.00067065 -0.00166641 0.00156530
0.00483688 0.01531533 0.01687859
8.55280218 6.78327942 -20.36907956
-0.00037330 0.00025825 0.00027839
0.00956080 0.00562793 0.00047636
19.20289738 21.06496168 -4.01455422
0.00021990 0.00048965 0.00089523
-0.00152480 -0.00613948 -0.00965965
19.61400182 19.59487372 -6.63362320
-0.00120830 -0.00051405 -0.00030787
0.00280618 0.00527430 0.00877650
1.67663667 12.22575739 -20.46523978
-0.00098255 0.00063301 -0.00009103
0.01655704 0.01057807 -0.00984722
0.16970809 14.37954021 -21.51818684
0.00027228 0.00064766 -0.00131912
0.02037121 0.00918464 -0.00415671
10.65489146 -6.72296001 -0.80694141
-0.00100152 -0.00053630 0.00072381
-0.00338567 -0.00313753 0.00506720
9.75976997 -3.89995668 -0.81691377
-0.00007907 0.00014996 -0.00091885
0.00068731 -0.02623334 0.02748083
-18.32544965 -5.02163437 6.90091239
0.00061818 -0.00015922 -0.00032253
-0.00334790 0.00982491 -0.01242802
-18.72895843 -5.25138223 4.02727341
0.00022823 0.00022886 -0.00053088
0.00095362 0.01532985 0.01009365
-14.37315831 -0.23032875 19.21958222
0.00034527 0.00025384 -0.00075525
-0.00685147 0.02243050 -0.02488304
-14.06321477 -0.43644174 22.18083122
-0.00018455 -0.00021240 0.00042862
-0.00682407 -0.00726238 -0.01608201
1.34857304 3.34358115 -2.18939362
-0.00061655 -0.00120894 -0.00071142
0.00334024 -0.01212638 0.01055622
2.06601553 2.11304269 -4.79419377
0.00020922 0.00000453 -0.00039417
-0.00851236 0.01540552 0.01112185
21.94616881 -10.57938087 -6.23792318
0.00050878 0.00007512 -0.00049328
-0.03089612 -0.00301912 0.03441568
22.64991193 -9.76483839 -3.65300542
0.00104348 0.00027252 0.00025863
-0.00117808 0.00026393 0.01161754
4.59218844 -10.33833819 6.99920732
-0.00074476 -0.00011734 0.00018745
0.02723285 -0.00394641 -0.00910056
3.02243451 -11.80431020 9.01041367
0.00059793 -0.00026000 -0.00003508
0.00712024 -0.00572990 0.00780921
-2.01919982 -3.18857383 -20.69245714
-0.00037689 -0.00011842 -0.00064899
-0.00356517 -0.01916607 -0.01111250
-3.49657773 -1.67298203 -18.65507857
0.00038596 -0.00052960 -0.00023624
0.01822109 -0.00710344 -0.00479658
0.48684834 5.08297300 -9.74033151
-0.00051574 -0.00075741 0.00000796
0.00954415 0.00093993 -0.00953000
-1.81734317 3.52396642 -9.15574850
0.00145989 0.00036570 0.00060044
0.04084626 -0.00497675 -0.03733723
-3.66704478 15.12902202 15.65555971
-0.00080498 0.00091465 -0.00064434
-0.01119297 -0.00976731 -0.01560838
-6.48999198 14.78760542 15.53444219
-0.00003257 0.00065219 -0.00111615
-0.00654747 -0.00327318 -0.00540788
-6.77374184 1.97529446 -6.30291121
0.00008870 0.00008607 -0.00036853
-0.00963837 -0.01074465 0.01257786
-4.86901257 1.28111963 -8.37820506
0.00012993 0.00032120 0.00063440
-0.00927833 0.00900130 0.00398029
-10.20862669 -0.62253561 -3.38297057
0.00034639 -0.00043562 -0.00043274
0.01651228 0.01495179 -0.02029171
-9.46969888 2.12092499 -2.79942783
-0.00074217 0.00002008 0.00066704
0.01420105 -0.01467368 -0.03236460
2.92659189 29.14398100 5.02503424
0.00090049 0.00002119 -0.00020771
-0.00590242 -0.01540804 -0.00431714
3.43234095 28.02678923 7.59654323
-0.00053994 -0.00082075 -0.00082848
-0.01251133 -0.02070992 -0.02762519
8.21137305 -10.43814439 -1.11966046
-0.00075793 -0.00087181 0.00098208
0.02596146 -0.00301355 -0.00643653
10.94186563 -11.07988426 0.03273337
-0.00052961 0.00040097 0.00009139
-0.01178730 -0.00514040 -0.00271377
-5.28350635 0.12035790 8.88526539
0.00048744 -0.00006098 -0.00046741
0.02783669 -0.03312504 -0.01093997
-8.23121550 -0.08128068 9.25518438
0.00000500 0.00071482 -0.00035190
0.00139644 -0.01230794 -0.00161167
20.40737944 11.06863252 8.77186873
-0.00051340 0.00012304 0.00086764
0.00497141 -0.00190654 0.01087511
22.04707520 11.26302343 6.43979355
0.00100125 -0.00066744 -0.00100054
0.03208197 0.00852718 -0.00068011
-2.84563404 0.30767090 -22.03908107
-0.00017224 -0.00085150 -0.00148201
-0.00339374 0.01549986 -0.04415591
-4.98715844 1.09036326 -24.15445533
-0.00092135 0.00030514 -0.00023506
0.04464383 0.00287725 0.01050096
-12.68219216 9.57341463 9.76799341
0.00054066 0.00081279 0.00041969
0.01238066 0.01060476 0.00495178
-13.58717392 9.76658320 6.98384279
0.00043902 -0.00063260 -0.00048316
-0.00448273 -0.00730740 0.02190110
-14.07445426 4.98648037 -4.69068864
-0.00105325 -0.00054264 0.00040730
-0.00054175 0.00415965 0.00860996
-14.14520784 7.78074834 -3.67042529
0.00072620 0.00079108 -0.00087036
0.00790131 -0.02033786 0.00202504
-4.03338974 -15.59825360 20.16508416
0.00008853 0.00010864 0.00032718
-0.01941129 -0.00041248 0.00135091
-1.52876514 -16.64405533 19.52855322
0.00014909 -0.00049867 0.00001456
0.00303381 -0.00275253 -0.00548630
-5.85621649 5.87540443 -7.42022062
0.00132554 0.00047397 0.00002660
0.00387079 0.01275943 -0.01722016
-7.37625118 8.27978884 -7.07435423
-0.00017300 -0.00044394 0.00012208
0.00334053 0.01587486 -0.00470536
-21.15790524 29.50017775 0.31949420
-0.00016274 -0.00163545 0.00072896
-0.00043744 -0.00362114 -0.00159345
-18.22707669 29.41702507 1.15019605
0.00053833 -0.00013870 -0.00121821
-0.00412594 -0.00426744 -0.00626117
9.34959718 2.78241279 6.50559429
0.00060914 0.00049629 0.00114754
-0.00927497 0.00558404 -0.00197927
9.09546192 5.50723897 7.95331566
0.00015657 -0.00076549 -0.00060551
0.00370379 -0.00969034 -0.00541896
8.17505125 17.46873670 -12.29103244
-0.00056202 0.00065841 -0.00034275
-0.01026537 -0.01354952 0.00784033
8.44506062 14.67310875 -11.92820908
0.00013406 0.00113426 -0.00073963
-0.01119074 0.00008597 0.00218885
12.05727932 5.99125402 -1.25581978
-0.00085679 0.00002717 0.00076227
0.03835457 -0.01856880 0.00012166
13.80782325 4.18280783 0.33642137
-0.00062596 -0.00022058 -0.00047569
-0.00253043 -0.01054790 0.01962731
-4.28118769 11.20798377 -1.99353909
-0.00010590 0.00008071 -0.00039771
0.02191734 -0.01131282 -0.00069875
-6.95758213 10.68064310 -0.79401075
-0.00172989 0.00047761 0.00038332
0.00010397 -0.00828061 0.01090166
7.33739021 14.22859711 4.58224563
0.00030206 -0.00017294 0.00058398
-0.01300879 0.03911097 -0.01386938
9.10078286 12.03731396 3.90970228
0.00088909 -0.00015334 -0.00070827
-0.01593313 0.00687354 0.02271814
20.45178061 -13.04957437 -8.85171877
-0.00033821 -0.00099266 0.00069004
0.01390702 0.01833621 -0.01254712
23.23965926 -12.34767798 -8.64997549
-0.00026866 -0.00015339 -0.00037295
0.03450203 -0.01204911 0.01539532
19.96595650 -4.87728867 -2.72443801
0.00056094 0.00028762 0.00023440
-0.00818014 -0.00090856 -0.00153784
18.31796663 -6.91222726 -1.36356582
-0.00083299 -0.00037252 0.00052654
-0.00312813 0.00096394 -0.00284534
13.84985310 9.60195410 8.58608489
0.00033292 0.00034864 0.00046457
0.00053452 -0.00756468 0.00557552
15.01398344 7.75578040 10.50481433
0.00032106 -0.00058978 -0.00027728
0.00444791 0.00061885 0.02750904
2.96919358 -15.25672044 17.27475490
0.00035102 0.00017554 -0.00058027
0.00851965 0.02864674 -0.00074674
3.78105874 -12.15918357 17.21658349
-0.00089223 0.00025561 -0.00079094
-0.00586505 -0.00190736 0.01643543
-2.75303083 -3.91729968 -12.60957626
0.00029033 0.00033427 0.00022721
0.00622620 0.02018269 -0.01117246
-1.18457066 -1.36053687 -13.14121084
0.00101431 0.00000658 -0.00011146
0.01148061 -0.00771662 -0.00015446
16.20711841 -7.77644554 -14.86223959
0.00034992 0.00039397 -0.00050146
-0.01040770 0.00494987 0.01028163
16.61787379 -8.23067560 -11.94742052
0.00073562 -0.00098173 -0.00042807
-0.00892381 0.01219437 -0.00577037
7.81538724 -3.88856779 6.45331193
-0.00056849 0.00029293 -0.00078283
0.02548906 0.00342885 -0.01298870
10.56444347 -4.05924719 5.21772739
-0.00027847 -0.00081975 -0.00027820
0.00551503 -0.00699396 -0.02095350
-21.08795640 0.91422433 25.10661626
-0.00041181 -0.00083557 0.00021336
-0.03599744 -0.01165276 0.00779984
-19.11083287 2.95534428 25.84339454
0.00003308 -0.00038692 0.00005480
-0.01037584 -0.00596990 0.00190093
25.36607552 -2.77878876 -7.24311935
0.00031659 -0.00035893 0.00044848
-0.00506960 0.00913390 -0.00364700
23.84169332 -1.03830167 -9.13481628
-0.00161026 0.00057054 0.00011968
0.00635554 0.00235688 -0.00826865
11.66174450 -9.92117806 -9.42351068
0.00025409 0.00008089 -0.00023203
0.00771016 -0.01262673 -0.01825986
12.86779237 -9.40796219 -12.06784535
0.00033661 -0.00041387 0.00029423
0.00630760 0.01169325 -0.00287488
-7.40551716 -10.56920390 17.71768481
0.00087600 -0.00009552 -0.00043728
-0.02990375 -0.00927717 -0.02670591
-10.23662234 -11.20085895 17.65536719
-0.00009215 0.00114127 -0.00005015
-0.01076700 0.00320143 0.00432058
7.96000022 1.99911975 -29.27661979
0.00025204 -0.00065175 0.00037699
0.00915309 -0.00699356 -0.00786180
5.45919095 0.71286761 -28.64119625
-0.00016700 -0.00003768 0.00108241
-0.02056822 -0.00947972 -0.01042099
14.36436168 19.27239166 13.50917870
0.00008180 0.00050031 0.00053041
-0.02749829 -0.00675997 0.00010137
13.07978411 17.78221701 11.41852555
0.00007013 -0.00017872 -0.00039166
-0.01338923 0.01796823 0.03194861
27.75684347 7.66898422 -11.65273373
0.00023645 0.00007270 0.00004768
0.02018111 0.00409239 -0.00672894
26.15738639 7.65850202 -9.19919990
-0.00072151 -0.00017793 0.00012048
0.00168123 0.00015676 -0.01970825
-7.91163007 4.68681383 6.09526632
0.00012861 0.00010741 0.00006710
-0.00046566 -0.00726668 0.00299447
-10.45984308 9.18599694 2.92578259
0.00017514 -0.00007230 0.00012902
0.01320200 -0.00457601 0.01286362
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.07639528
0.28919143
385.33307940
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0601744186
ExchangeOperator: pair fraction: ispin=0: 0.1492915089
ExchangeOperator: bisection time: 1.514 s
total exchange = -52.3050827982 (a.u.)
total exchange computation time: 2.9790129662 s
-153.9162155889
-931.36323734
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0601744186
ExchangeOperator: pair fraction: ispin=0: 0.1492915089
ExchangeOperator: bisection time: 1.514 s
total exchange = -52.3054186052 (a.u.)
total exchange computation time: 2.9783859253 s
-153.9137977199
Anderson extrapolation: theta=1.3430918473 (1.3430918473)
-931.36344991
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0601744186
ExchangeOperator: pair fraction: ispin=0: 0.1492915089
ExchangeOperator: bisection time: 1.516 s
total exchange = -52.3058289930 (a.u.)
total exchange computation time: 2.9788341522 s
-153.9108972208
Anderson extrapolation: theta=0.0492314796 (0.0492314796)
-931.36357587
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0601744186
ExchangeOperator: pair fraction: ispin=0: 0.1492915089
ExchangeOperator: bisection time: 1.512 s
total exchange = -52.3058109764 (a.u.)
total exchange computation time: 2.9792079926 s
-153.9111073379
Anderson extrapolation: theta=1.9126849666 (1.9126849666)
-931.36358040
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0601744186
ExchangeOperator: pair fraction: ispin=0: 0.1492915089
ExchangeOperator: bisection time: 1.513 s
total exchange = -52.3057583290 (a.u.)
total exchange computation time: 2.9799358845 s
-153.9116137571
Anderson extrapolation: theta=0.2186705612 (0.2186705612)
-931.36358513
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0601744186
ExchangeOperator: pair fraction: ispin=0: 0.1492915089
ExchangeOperator: bisection time: 1.513 s
total exchange = -52.3057386985 (a.u.)
total exchange computation time: 2.9773869514 s
-153.9117448842
Anderson extrapolation: theta=1.9372611495 (1.9372611495)
-931.36358604
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0601744186
ExchangeOperator: pair fraction: ispin=0: 0.1492915089
ExchangeOperator: bisection time: 1.514 s
total exchange = -52.3057085408 (a.u.)
total exchange computation time: 2.9812650681 s
-153.9118919903
Anderson extrapolation: theta=0.2875870542 (0.2875870542)
-931.36358722
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0601744186
ExchangeOperator: pair fraction: ispin=0: 0.1492915089
ExchangeOperator: bisection time: 1.517 s
total exchange = -52.3057084829 (a.u.)
total exchange computation time: 2.9794199467 s
-153.9118305908
Anderson extrapolation: theta=1.3083117279 (1.3083117279)
-931.36358750
19.156305 -16.292923 -167.597274
562.584268 1075.024720 -404.773123
581.740573 1058.731797 -572.370397
1336.765867
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0601744186
ExchangeOperator: pair fraction: ispin=0: 0.1492915089
ExchangeOperator: bisection time: 1.515 s
total exchange = -52.3057147248 (a.u.)
total exchange computation time: 2.9784240723 s
677.80064237
-1081.74864079
89.91244328
-390.40372595
-174.61859189
77.13785362
551.60419304
0.00000000
-931.36358771
4.58550377 -30.86697359 -3.53718268
-0.00007345 -0.00012030 0.00017470
-0.00002932 0.00315624 0.00995403
-11.89297013 2.06875299 -9.40919094
0.00018493 0.00006727 0.00015671
0.00237463 0.00675423 -0.00376341
-36.20298232 1.29295079 3.12939768
-0.00006784 0.00029192 -0.00006797
0.02358728 0.03905181 -0.03155006
-7.48364667 -3.56077222 2.58024674
-0.00000469 0.00015425 0.00009842
-0.01077976 0.00107428 -0.01310696
2.25959936 0.11263475 8.96227621
0.00006966 -0.00007690 -0.00005856
-0.00238571 -0.00986553 0.01034095
-30.97215910 1.42132507 2.70037556
-0.00028110 0.00020691 -0.00014921
-0.03295994 -0.02345980 -0.00136720
16.94069809 13.22503782 -18.00404229
-0.00028363 -0.00007615 -0.00055739
0.06538640 0.01913089 0.03237228
-3.42577905 5.19995751 5.56038492
0.00001141 -0.00014556 0.00004967
0.00182531 0.01194923 -0.02177579
5.80744489 17.13891978 -6.96064523
-0.00006459 -0.00017134 0.00012465
0.03085423 0.03179628 -0.00899259
7.23807953 5.68785266 -20.98000241
0.00025593 0.00019143 -0.00015052
-0.02691519 -0.01769507 -0.00491470
18.61061757 19.64273298 -5.10943632
0.00004522 -0.00001009 -0.00020721
0.00433971 0.00128083 0.00780278
1.95842479 13.93269561 -21.16682426
0.00009393 0.00003638 -0.00015624
-0.03188242 -0.01140407 0.01399025
10.33143422 -5.35192182 0.38075771
0.00023834 0.00009704 0.00028527
0.00082880 0.02812932 -0.03593158
-18.25411786 -4.00967108 5.34245079
0.00042113 -0.00041190 0.00003164
0.00505099 -0.02800378 0.00223915
-14.23543099 -1.38946795 20.57273671
-0.00017621 0.00011270 0.00027019
0.01420845 -0.01155323 0.03379578
1.59698000 3.70781799 -3.93702623
-0.00000730 0.00019102 -0.00019322
0.00811137 -0.00505489 -0.02330243
21.24746359 -10.64410673 -4.44348147
-0.00023405 -0.00012131 -0.00009902
0.03607914 0.01815199 -0.03821297
3.07053883 -10.35829763 7.90847590
0.00007515 -0.00012113 -0.00026438
-0.03846877 0.00905244 0.00543183
-1.85967756 -1.83658411 -19.51701098
-0.00008958 0.00013746 -0.00013836
-0.01421135 0.02243057 0.00735750
-0.26766393 3.54216247 -10.36222602
-0.00041865 0.00017244 -0.00035086
-0.05075393 0.00303765 0.04454805
-5.01571089 14.63571484 14.47466187
0.00009287 0.00011108 0.00009778
0.01733539 0.01023134 0.00739452
-5.44968750 2.67519815 -7.32292480
0.00019945 0.00023986 0.00016999
0.01666335 -0.00626622 -0.01149740
-9.19048498 0.76359838 -4.15111960
-0.00011820 0.00020127 0.00017247
-0.02427759 0.00571866 0.05098179
2.91416734 27.47258271 5.83791965
-0.00008444 -0.00003316 0.00004014
0.01527181 0.04122130 0.03025081
10.01746594 -10.73952423 -1.54501283
-0.00003082 -0.00033590 0.00015200
-0.03292674 0.01710422 -0.00714009
-6.77766094 0.98449671 9.23445801
-0.00008936 0.00002220 0.00012372
-0.02211715 0.04348234 0.00912663
20.39912311 10.82697850 6.97903840
-0.00040058 -0.00007089 -0.00009024
-0.02957191 -0.00683444 -0.00425777
-3.07316866 1.10275272 -23.83987184
0.00012616 -0.00003962 0.00003338
-0.04790710 -0.01910336 0.02803252
-13.79821840 8.80349593 8.57147180
0.00038706 0.00002056 0.00015410
-0.01078695 -0.01303978 -0.02122378
-13.48445628 6.06781993 -3.31303636
-0.00019397 -0.00010850 -0.00012149
-0.00960453 0.01756881 -0.02018955
-2.30646759 -15.37474444 20.57054374
-0.00027383 -0.00008871 -0.00010613
0.01644487 -0.00102013 0.00610134
-5.99758978 7.62157699 -8.09267966
-0.00005289 0.00031644 0.00040343
-0.00107975 -0.01876951 0.00950487
-19.75738557 30.42265491 1.01348342
0.00025631 -0.00005496 -0.00019938
0.00176438 0.00678530 0.00866340
9.85411072 3.79522598 7.93851491
-0.00014371 0.00007204 -0.00005416
0.01185074 0.00806480 0.01258326
7.17994318 16.00285044 -11.68693637
0.00012604 0.00012056 0.00021495
0.01806975 0.01455339 -0.00909167
13.76348432 5.11180899 -1.20100188
-0.00020440 -0.00035237 -0.00011655
-0.03700763 0.02704793 -0.02495495
-6.05005238 11.45475997 -2.13901982
-0.00008570 0.00010604 0.00030093
-0.00425502 0.01825922 0.01082054
7.88313562 12.69379466 5.23189885
-0.00028384 -0.00027575 0.00027126
0.03206958 -0.04316880 -0.01791227
21.82116174 -12.01695351 -9.64463074
-0.00039762 0.00023495 0.00014422
-0.06268454 -0.00937903 -0.00172085
19.85516268 -5.95392031 -1.22741891
-0.00015281 0.00011919 0.00039477
0.00143520 0.00145104 0.00911695
14.70759216 8.00581542 8.76005576
0.00029971 0.00007049 0.00023379
0.00035805 0.00498678 -0.03043767
3.80014887 -13.78533707 16.41243106
-0.00000103 0.00001809 0.00017537
0.00068256 -0.02966119 -0.02159067
-2.55394291 -2.43220403 -13.71266449
-0.00013680 0.00006898 0.00009795
-0.01290924 -0.00724848 0.01109258
15.50729318 -7.35773254 -13.16042524
-0.00010890 0.00004400 -0.00001301
0.01961681 -0.01821739 0.00040915
9.67125798 -3.67534149 6.70579575
0.00040621 -0.00017316 -0.00002494
-0.03703499 0.00848123 0.02482562
-19.41142017 1.39494316 24.90050962
0.00009251 0.00012580 -0.00003048
0.03528793 0.00839138 -0.01225800
24.30879762 -1.23525524 -7.39783970
-0.00029916 0.00022055 -0.00010687
0.00728844 -0.01014145 0.01484451
11.65076251 -10.47964770 -11.22712651
-0.00006659 -0.00008491 -0.00034369
-0.01337165 0.01352510 0.03224148
-8.91679337 -10.80049166 16.47500110
0.00019184 0.00016229 0.00007171
0.01879498 0.00392003 -0.00154767
6.82535118 1.58852182 -27.88206141
0.00027933 0.00001618 -0.00013316
0.01442342 0.01220609 0.01468342
12.62161759 18.76645458 12.99728004
-0.00003373 -0.00027363 -0.00029250
0.04432851 -0.01483288 -0.03027781
26.04978195 7.53337847 -11.08643060
-0.00012910 0.00007659 0.00004697
-0.00775342 -0.00423660 0.02379585
5.23605430 -29.61654573 -4.71315512
-0.00019397 -0.00062723 -0.00050694
0.00255261 0.00315443 -0.00563491
4.25578348 -29.89621605 -1.99760766
-0.00011685 0.00025086 -0.00073163
-0.00508824 -0.01270712 -0.00454956
-10.13106964 1.97647749 -8.92074041
0.00131848 0.00064301 0.00057995
-0.00812822 0.00017730 -0.00310079
-11.95578710 2.70115885 -11.16632680
0.00052273 -0.00033662 0.00000239
-0.00006582 -0.00354838 0.00758863
-37.02895442 2.85271617 2.29498508
0.00039602 0.00035191 0.00112393
0.02085032 -0.01275167 0.01562290
-37.54053710 0.44664114 3.85304819
0.00032636 -0.00002814 0.00037931
-0.03994269 -0.03045434 0.01954522
-8.69427773 -4.30013987 1.33734736
0.00082642 0.00066552 0.00003107
0.00564057 0.00045888 0.01524399
-6.23166512 -4.81815816 2.96382343
-0.00009827 -0.00003120 -0.00047594
-0.00081164 -0.00754175 0.00060253
2.72471184 0.01381699 7.21914144
0.00033107 -0.00038873 0.00119975
0.00038280 -0.00229342 -0.00955785
1.61734239 1.77855551 9.28028479
-0.00018596 0.00061178 0.00045885
-0.00235718 0.00783917 0.00113591
-30.28093710 -0.28991035 2.41660331
0.00065016 -0.00003448 0.00024162
0.00828556 0.00942559 0.00621199
-32.81435693 0.89831684 2.87275536
0.00083238 -0.00036277 -0.00041269
0.02514430 0.02122394 0.00002603
15.59378735 12.17500111 -18.29266660
0.00090651 -0.00049800 -0.00013563
-0.04636767 -0.03621961 -0.00987677
18.20461862 12.17834081 -16.90728099
0.00078119 -0.00022341 -0.00004402
-0.01723918 0.01686049 -0.02226180
-3.04733816 6.86734356 6.29234582
-0.00002396 -0.00036425 0.00000839
0.00011989 -0.01157663 -0.00737964
-3.03720582 5.34936329 3.73588786
0.00008517 -0.00056379 -0.00074634
-0.00105671 0.00128188 0.02450751
5.77177167 16.51521953 -8.71577757
0.00000267 0.00005727 -0.00118004
0.00647789 -0.00305122 0.00056607
7.37306037 18.26080719 -7.05915964
-0.00081435 -0.00013998 0.00009556
-0.03403799 -0.02653856 0.00698755
7.50369659 5.34856984 -22.82147383
-0.00064691 -0.00160306 0.00161979
0.00678644 0.01569888 0.00979525
8.54749562 6.78732560 -20.36488913
-0.00033079 0.00028349 0.00027905
0.01124705 0.00672668 -0.00015174
19.20614920 21.07211834 -4.00142173
0.00021088 0.00045656 0.00084753
-0.00289281 -0.01005768 -0.01369008
19.59596325 19.58732460 -6.63797225
-0.00119086 -0.00049138 -0.00027903
0.00573110 0.00582317 0.00533672
1.66240579 12.23557669 -20.46690694
-0.00091510 0.00067131 -0.00012921
0.01646019 0.00816998 -0.00884358
0.17441646 14.38953649 -21.53810107
0.00035705 0.00068458 -0.00133520
0.02112440 0.00889128 -0.00371086
10.63976494 -6.73110070 -0.79592901
-0.00101469 -0.00054933 0.00074437
-0.00306180 -0.00323899 0.00499810
9.75860496 -3.89851120 -0.82985443
-0.00007462 0.00003909 -0.00080142
0.00149228 -0.02803462 0.03000097
-18.31627950 -5.02372165 6.89569360
0.00060377 -0.00012340 -0.00036865
-0.00370717 0.00770869 -0.01014671
-18.72550569 -5.24747953 4.01961944
0.00023227 0.00029060 -0.00048861
0.00101994 0.01489316 0.01059840
-14.36818914 -0.22583377 19.20749091
0.00031869 0.00033655 -0.00084457
-0.00616282 0.01805616 -0.01883796
-14.06619218 -0.43985026 22.18676764
-0.00021230 -0.00024040 0.00036281
-0.00675660 -0.00644358 -0.01613204
1.33942719 3.32507550 -2.19974140
-0.00060356 -0.00125750 -0.00066573
0.00301474 -0.01164343 0.01180765
2.06889296 2.11358267 -4.79976559
0.00017336 0.00007062 -0.00034860
-0.00903955 0.01694905 0.01118758
21.95285371 -10.57834662 -6.24426771
0.00037960 0.00006264 -0.00034774
-0.03233710 -0.00308762 0.03682582
22.66552809 -9.76074249 -3.64877003
0.00102362 0.00026415 0.00029768
-0.00854634 -0.00436125 0.00749990
4.58185161 -10.34021920 7.00174024
-0.00061862 -0.00013267 0.00014096
0.03451360 -0.00355923 -0.01365546
3.03162163 -11.80838576 9.01012672
0.00062628 -0.00028027 -0.00000514
0.00675568 -0.00419241 0.00684892
-2.02496236 -3.19093750 -20.70253255
-0.00038979 -0.00018975 -0.00068800
-0.00275201 -0.01574635 -0.00798009
-3.49023004 -1.68114368 -18.65876912
0.00045343 -0.00055693 -0.00025174
0.01480817 -0.00627349 -0.00279161
0.47940473 5.07164071 -9.74050420
-0.00046946 -0.00074339 -0.00002892
0.01310867 0.00592022 -0.00852031
-1.79419315 3.52929943 -9.14788603
0.00161626 0.00034239 0.00045178
0.03569699 -0.00643544 -0.03543427
-3.67946254 15.14244248 15.64541628
-0.00084127 0.00087797 -0.00069937
-0.00656854 -0.00819007 -0.01132934
-6.49068117 14.79728800 15.51753417
-0.00006620 0.00063949 -0.00113290
-0.00991565 -0.00294217 -0.00279173
-6.77270667 1.97625627 -6.30805369
0.00004748 0.00004255 -0.00031520
-0.01053937 -0.01055823 0.01352614
-4.86734797 1.28621344 -8.36856706
0.00009482 0.00035419 0.00064678
-0.00790628 0.00714897 0.00207872
-10.20292479 -0.62861170 -3.39008351
0.00041331 -0.00037452 -0.00051475
0.01624240 0.01495544 -0.01984973
-9.48039631 2.12077649 -2.79041397
-0.00068352 -0.00004119 0.00053278
0.01450872 -0.01531584 -0.03335679
2.93991833 29.14382671 5.02178628
0.00087617 -0.00004363 -0.00022452
-0.00600211 -0.01632048 -0.00390874
3.42385849 28.01384338 7.58326951
-0.00058717 -0.00090087 -0.00092870
-0.01060959 -0.01851228 -0.02143407
8.20079969 -10.45131388 -1.10512656
-0.00064317 -0.00088512 0.00095209
0.03021180 -0.00350004 -0.00823953
10.93356024 -11.07402722 0.03402099
-0.00057355 0.00037854 0.00008438
-0.00972200 -0.00584123 -0.00071659
-5.27534173 0.11842817 8.87791894
0.00058896 -0.00018998 -0.00050942
0.02185871 -0.03002260 -0.00962182
-8.23109769 -0.07093547 9.24985653
0.00000446 0.00065890 -0.00035862
-0.00166179 -0.01506606 -0.00168044
20.39983083 11.07041966 8.78521662
-0.00049120 0.00011361 0.00089567
0.00589286 -0.00270943 0.00284385
22.06307705 11.25327308 6.42476468
0.00110923 -0.00063837 -0.00099306
0.02077576 0.00570202 0.00433712
-2.84832158 0.29537339 -22.06266425
-0.00018497 -0.00079044 -0.00165209
-0.00283958 0.01438977 -0.03910074
-4.99961068 1.09502857 -24.15765943
-0.00072920 0.00031675 -0.00019078
0.04941314 0.00280449 0.01117369
-12.67370291 9.58593143 9.77444055
0.00058534 0.00085226 0.00043275
0.00949235 0.00871799 0.00143730
-13.58072593 9.75687025 6.97726649
0.00042073 -0.00066289 -0.00039094
-0.00447186 -0.00751704 0.02324254
-14.09026959 4.97846828 -4.68431532
-0.00105452 -0.00052363 0.00044316
-0.00008266 0.00514224 0.00894555
-14.13407274 7.79199126 -3.68341859
0.00076043 0.00069952 -0.00086005
0.00885618 -0.02448078 0.00301870
-4.03265656 -15.59663658 20.17003321
0.00000197 0.00010551 0.00033050
-0.02296056 -0.00112362 0.00027568
-1.52643582 -16.65161979 19.52860356
0.00015764 -0.00050493 -0.00000422
0.00114908 -0.00031032 -0.00370971
-5.83621474 5.88290498 -7.42034924
0.00133988 0.00052429 -0.00004204
0.00314692 0.01187240 -0.01638274
-7.37874375 8.27361617 -7.07266725
-0.00016295 -0.00037814 0.00010589
0.00157786 0.01633567 -0.00321876
-21.16035980 29.47553504 0.33037983
-0.00015547 -0.00164261 0.00072702
0.00399957 0.00011644 0.00064173
-18.21912816 29.41481378 1.13173111
0.00051945 -0.00015378 -0.00124286
-0.00511603 -0.00311263 -0.00580591
9.35845003 2.79002819 6.52274674
0.00056552 0.00050641 0.00112223
-0.01207602 -0.00062618 -0.01041160
9.09792390 5.49545971 7.94406692
0.00016731 -0.00079451 -0.00062639
0.00155392 -0.00451556 -0.00480134
8.16630638 17.47819763 -12.29593340
-0.00060531 0.00060119 -0.00030954
-0.01092423 -0.01445780 0.00841473
8.44672867 14.69012528 -11.93923650
0.00009409 0.00112737 -0.00073126
-0.00837798 -0.00345821 0.00190959
12.04560283 5.99109264 -1.24438196
-0.00069386 -0.00005132 0.00076079
0.04139762 -0.01985413 -0.00084936
13.79835629 4.17917589 0.32988753
-0.00063488 -0.00026712 -0.00039004
-0.00183639 -0.01223498 0.02229727
-4.28210463 11.20884775 -1.99952614
-0.00001656 0.00003297 -0.00039803
0.02181506 -0.01205709 0.00054115
-6.98352724 10.68755345 -0.78792691
-0.00172029 0.00044860 0.00041880
0.00459505 -0.00591852 0.00646509
7.34152249 14.22720157 4.59058030
0.00024820 -0.00001043 0.00052644
-0.01335711 0.04043740 -0.01429443
9.11363092 12.03522456 3.89977442
0.00081502 -0.00012129 -0.00060516
-0.02032519 0.00881407 0.02775571
20.44713356 -13.06390240 -8.84175259
-0.00027532 -0.00091148 0.00063438
0.01687904 0.02140248 -0.01469926
23.23668663 -12.35034806 -8.65509793
-0.00012626 -0.00020275 -0.00031022
0.03520105 -0.01211095 0.01531022
19.97411996 -4.87300225 -2.72096909
0.00052577 0.00028061 0.00023058
-0.00903916 -0.00252007 -0.00033457
18.30537591 -6.91778549 -1.35575490
-0.00083467 -0.00036127 0.00051463
0.00230568 0.00454217 -0.00298286
13.85486325 9.60695182 8.59322435
0.00033662 0.00031467 0.00048812
0.00127537 -0.00906139 0.00594930
15.01893561 7.74695273 10.50149815
0.00033991 -0.00058755 -0.00015904
0.00477837 0.00046872 0.03036766
2.97471994 -15.25320956 17.26602797
0.00038198 0.00028786 -0.00057853
0.00663421 0.02633615 0.00159953
3.76749561 -12.15540783 17.20522305
-0.00091654 0.00024969 -0.00072158
-0.00603458 -0.00099198 0.01751490
-2.74848515 -3.91166710 -12.60651050
0.00031475 0.00041361 0.00018317
0.00573139 0.01865384 -0.01038224
-1.16900422 -1.36067469 -13.14288750
0.00105269 -0.00003091 -0.00011624
0.00730921 -0.01063561 -0.00218212
16.21204825 -7.77038431 -14.86944649
0.00030426 0.00041529 -0.00045492
-0.01194299 0.00548698 0.01250125
16.62863464 -8.24502791 -11.95401839
0.00069301 -0.00092682 -0.00045671
-0.01193474 0.01468393 -0.00824763
7.80764100 -3.88406881 6.44117150
-0.00045327 0.00030821 -0.00083295
0.03090834 0.00404970 -0.01154504
10.56043538 -4.07175779 5.21291234
-0.00025527 -0.00084822 -0.00036324
0.00584385 -0.00694004 -0.02067465
-21.09523659 0.90133373 25.11005565
-0.00054270 -0.00087833 0.00024377
-0.02807579 -0.00927780 0.00708499
-19.11065458 2.94935750 25.84427480
-0.00000925 -0.00040666 0.00006548
-0.01034512 -0.00369107 0.00332632
25.37066895 -2.78389288 -7.23650386
0.00028961 -0.00031333 0.00043028
-0.00813435 0.01318915 -0.00526485
23.81773415 -1.02967140 -9.13327453
-0.00158204 0.00057793 0.00008888
0.00745713 0.00126137 -0.00680730
11.66579217 -9.92035168 -9.42755073
0.00028464 0.00002810 -0.00030747
0.00724093 -0.01321526 -0.01866912
12.87303484 -9.41381197 -12.06351999
0.00036426 -0.00036444 0.00027976
0.00722430 0.01250455 -0.00421019
-7.39329358 -10.57092105 17.71030719
0.00075171 -0.00013340 -0.00054516
-0.03093591 -0.00926487 -0.02609872
-10.23833455 -11.18364178 17.65474739
-0.00013557 0.00115402 -0.00003130
-0.01048594 0.00304174 0.00490749
7.96406123 1.98912924 -29.27120581
0.00029281 -0.00067888 0.00033850
0.01080498 -0.00628883 -0.01098032
5.45605571 0.71201197 -28.62527938
-0.00025150 -0.00007686 0.00103807
-0.02079630 -0.00970290 -0.01128589
14.36474607 19.27968918 13.51713791
-0.00003622 0.00046990 0.00052724
-0.03027402 -0.00812812 -0.00165226
13.08042578 17.78008676 11.41362972
0.00001681 -0.00010494 -0.00026066
-0.01270931 0.01815018 0.03217285
27.76100856 7.67020008 -11.65222471
0.00031321 0.00008890 0.00002273
0.01739628 0.00383804 -0.00548216
26.14661523 7.65583780 -9.19799663
-0.00071321 -0.00017693 0.00003972
0.00238232 0.00033467 -0.01982563
-7.90970211 4.68840548 6.09628087
0.00012845 0.00010483 0.00006817
-0.00045673 -0.00716422 0.00295298
-10.45719303 9.18490451 2.92774027
0.00017818 -0.00007336 0.00013200
0.01298366 -0.00453634 0.01284596
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.07636553
0.28722217
382.70914609
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0601017442
ExchangeOperator: pair fraction: ispin=0: 0.1488155760
ExchangeOperator: bisection time: 1.512 s
total exchange = -52.3008474911 (a.u.)
total exchange computation time: 2.8709928989 s
-153.8970815159
-931.36089698
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0601017442
ExchangeOperator: pair fraction: ispin=0: 0.1488155760
ExchangeOperator: bisection time: 1.515 s
total exchange = -52.3012248132 (a.u.)
total exchange computation time: 2.8682410717 s
-153.8943233544
Anderson extrapolation: theta=1.3566095967 (1.3566095967)
-931.36111561
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0601017442
ExchangeOperator: pair fraction: ispin=0: 0.1488155760
ExchangeOperator: bisection time: 1.513 s
total exchange = -52.3016863013 (a.u.)
total exchange computation time: 2.8681161404 s
-153.8909780942
Anderson extrapolation: theta=0.0542417441 (0.0542417441)
-931.36124795
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0601017442
ExchangeOperator: pair fraction: ispin=0: 0.1488155760
ExchangeOperator: bisection time: 1.513 s
total exchange = -52.3016644417 (a.u.)
total exchange computation time: 2.8688941002 s
-153.8911965286
Anderson extrapolation: theta=2.0661995025 (2.0000000000)
-931.36125355
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0601017442
ExchangeOperator: pair fraction: ispin=0: 0.1488155760
ExchangeOperator: bisection time: 1.513 s
total exchange = -52.3015981710 (a.u.)
total exchange computation time: 2.8686218262 s
-153.8917565436
Anderson extrapolation: theta=0.2698798518 (0.2698798518)
-931.36126013
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0601017442
ExchangeOperator: pair fraction: ispin=0: 0.1488155760
ExchangeOperator: bisection time: 1.513 s
total exchange = -52.3015705529 (a.u.)
total exchange computation time: 2.8714768887 s
-153.8919277896
Anderson extrapolation: theta=1.6499882645 (1.6499882645)
-931.36126159
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0601017442
ExchangeOperator: pair fraction: ispin=0: 0.1488155760
ExchangeOperator: bisection time: 1.513 s
total exchange = -52.3015328356 (a.u.)
total exchange computation time: 2.8713760376 s
-153.8920987959
Anderson extrapolation: theta=0.3268564785 (0.3268564785)
-931.36126321
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0601017442
ExchangeOperator: pair fraction: ispin=0: 0.1488155760
ExchangeOperator: bisection time: 1.515 s
total exchange = -52.3015300251 (a.u.)
total exchange computation time: 2.8709869385 s
-153.8920431515
Anderson extrapolation: theta=1.1159592941 (1.1159592941)
-931.36126363
19.239482 -16.319507 -167.590984
562.577204 1075.004383 -404.817733
581.816686 1058.684876 -572.408717
1336.778240
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0601017442
ExchangeOperator: pair fraction: ispin=0: 0.1488155760
ExchangeOperator: bisection time: 1.515 s
total exchange = -52.3015345879 (a.u.)
total exchange computation time: 2.8702671528 s
677.74213394
-1081.61224085
89.91275016
-390.49508210
-174.60729044
77.06190581
551.60419304
0.00000000
-931.36126388
4.58440188 -30.86876590 -3.53452371
-0.00007329 -0.00011911 0.00017880
0.00065160 0.00146886 0.00598129
-11.89018699 2.06978807 -9.40685480
0.00018833 0.00007059 0.00015533
0.01085036 0.00617415 -0.00159144
-36.20390896 1.29748029 3.12825644
-0.00005566 0.00031121 -0.00008361
0.02378721 0.03593532 -0.02928015
-7.48375867 -3.55845438 2.58167243
-0.00000954 0.00015522 0.00009230
-0.00807424 0.00271585 -0.01066178
2.26063501 0.11144320 8.96143765
0.00006715 -0.00008040 -0.00005048
-0.00737286 -0.00374828 0.02107888
-30.97650281 1.42433823 2.69813216
-0.00029635 0.00019434 -0.00015014
-0.02630738 -0.02542352 -0.00225482
16.93669592 13.22396940 -18.01227824
-0.00024811 -0.00006567 -0.00053992
0.07271407 0.02160043 0.03556115
-3.42560090 5.19782020 5.56104602
0.00001245 -0.00013988 0.00003721
0.00223493 0.01011919 -0.02669467
5.80659501 17.13647236 -6.95881015
-0.00004966 -0.00015603 0.00011830
0.02719778 0.02771621 -0.01569332
7.24181467 5.69065593 -20.98227918
0.00024127 0.00018235 -0.00015076
-0.03008622 -0.01764159 0.00397005
18.61131261 19.64258651 -5.11251435
0.00004699 -0.00000862 -0.00020127
0.00254563 0.00445689 0.01528168
1.95971077 13.93319737 -21.16911389
0.00007746 0.00003134 -0.00014944
-0.03216482 -0.00821409 0.01244477
10.33501256 -5.35035771 0.38489819
0.00023846 0.00011189 0.00026629
-0.00037145 0.02961363 -0.03788613
-18.24778145 -4.01595760 5.34293405
0.00042386 -0.00042548 0.00003208
0.00558058 -0.02481868 -0.00054816
-14.23801930 -1.38782199 20.57691990
-0.00016909 0.00010770 0.00028572
0.01348196 -0.00790922 0.02661992
1.59690173 3.71066375 -3.94001436
-0.00000302 0.00018791 -0.00020530
0.00855437 -0.00703747 -0.02367401
21.24409199 -10.64585640 -4.44511421
-0.00021353 -0.00011089 -0.00011805
0.04371818 0.02235877 -0.03577371
3.07151775 -10.36007967 7.90453118
0.00005382 -0.00011705 -0.00026033
-0.04448426 0.00683364 0.01029772
-1.86107614 -1.83443565 -19.51905795
-0.00009602 0.00014776 -0.00013605
-0.01082971 0.01761083 0.00160311
-0.27413949 3.54476077 -10.36731714
-0.00044407 0.00017309 -0.00032896
-0.04808974 -0.00051206 0.04063611
-5.01425093 14.63742056 14.47615706
0.00010128 0.00011575 0.00009977
0.01534335 0.00792788 0.00037142
-5.44663147 2.67877183 -7.32041932
0.00020775 0.00023711 0.00016450
0.01562218 -0.00439927 -0.00984926
-9.19235169 0.76663946 -4.14833590
-0.00013050 0.00020437 0.00019856
-0.02354827 0.00635311 0.05048096
2.91295971 27.47224436 5.83863836
-0.00007708 -0.00001243 0.00005370
0.01332448 0.03936121 0.02249447
10.01687663 -10.74449673 -1.54276033
-0.00004916 -0.00032682 0.00014819
-0.03839123 0.01821626 -0.00769685
-6.77908673 0.98499745 9.23634904
-0.00009820 0.00004424 0.00012805
-0.01225796 0.04221550 0.00770081
20.39300030 10.82588872 6.97766840
-0.00041315 -0.00007349 -0.00009175
-0.01931644 -0.00326123 -0.00160665
-3.07146110 1.10208476 -23.83926307
0.00010039 -0.00004900 0.00004606
-0.05228942 -0.01737793 0.02130708
-13.79245407 8.80375398 8.57370141
0.00038219 0.00001433 0.00014389
-0.00816010 -0.01119255 -0.01846747
-13.48740289 6.06626021 -3.31493662
-0.00019913 -0.00009885 -0.00013220
-0.01044552 0.01994632 -0.02144610
-2.31051160 -15.37607899 20.56897525
-0.00026417 -0.00008969 -0.00010322
0.02110685 -0.00279817 0.00523446
-5.99838726 7.62625122 -8.08659155
-0.00005280 0.00030697 0.00040773
0.00140501 -0.01806478 0.00720080
-19.75353408 30.42185668 1.01052613
0.00025633 -0.00005272 -0.00019552
-0.00167913 0.00193546 0.00633383
9.85200077 3.79633774 7.93775106
-0.00013628 0.00007637 -0.00004557
0.01705351 0.00877197 0.02083035
7.18190356 16.00471500 -11.68374714
0.00013462 0.00012913 0.00021027
0.01526090 0.01876202 -0.00911264
13.76027555 5.10662781 -1.20284640
-0.00022412 -0.00033792 -0.00012956
-0.03965828 0.02911704 -0.02563069
-6.05135431 11.45642100 -2.13446410
-0.00008878 0.00011500 0.00030727
-0.00771148 0.01660077 0.01381160
7.87900179 12.68949185 5.23589861
-0.00026648 -0.00029822 0.00026091
0.03543034 -0.04420231 -0.02232969
21.81495560 -12.01346540 -9.64247404
-0.00043024 0.00022943 0.00014401
-0.06413538 -0.01208546 0.00091069
19.85287613 -5.95212684 -1.22146217
-0.00015316 0.00011946 0.00039916
-0.00280324 -0.00039520 0.00794799
14.71208925 8.00689207 8.76344521
0.00029971 0.00007334 0.00021759
-0.00038055 0.00609432 -0.03256305
3.80013600 -13.78518014 16.41497837
-0.00000009 0.00000347 0.00016343
0.00299626 -0.02718076 -0.02485832
-2.55604475 -2.43119734 -13.71115241
-0.00014223 0.00006653 0.00010382
-0.00817494 -0.00228348 0.01173564
15.50573537 -7.35714281 -13.16061883
-0.00009781 0.00003392 -0.00001280
0.02349850 -0.02097817 0.00041489
9.67720833 -3.67790612 6.70551746
0.00038603 -0.00016899 -0.00001286
-0.04144940 0.00770196 0.02215463
-19.40989643 1.39686254 24.90000519
0.00010838 0.00012875 -0.00003700
0.02643612 0.00307032 -0.01309759
24.30433834 -1.23198616 -7.39938554
-0.00029489 0.00021467 -0.00009924
0.00930779 -0.01271153 0.01485529
11.64971202 -10.48086922 -11.23215756
-0.00007347 -0.00007793 -0.00032682
-0.01335347 0.01362402 0.03338913
-8.91384331 -10.79804212 16.47607079
0.00020147 0.00016433 0.00007063
0.01865074 0.00400407 -0.00264077
6.82959673 1.58881163 -27.88400214
0.00028619 0.00002220 -0.00012476
0.01224416 0.01119814 0.01798832
12.62128265 18.76229289 12.99277574
-0.00001065 -0.00028088 -0.00030754
0.04543157 -0.01334282 -0.02819341
26.04781557 7.53451096 -11.08563421
-0.00013236 0.00007446 0.00005872
-0.00494293 -0.00405830 0.02189068
5.23322293 -29.62585747 -4.72093190
-0.00018376 -0.00061483 -0.00052903
0.00244607 0.00291496 -0.00517863
4.25387487 -29.89284248 -2.00872157
-0.00013868 0.00020316 -0.00074315
-0.00559784 -0.01064319 -0.00108959
-10.11154145 1.98612808 -8.91213616
0.00126840 0.00064456 0.00056248
-0.01638850 0.00058094 -0.00544987
-11.94794823 2.69600079 -11.16605840
0.00052215 -0.00035062 0.00003376
-0.00021722 -0.00330179 0.00776697
-37.02237527 2.85760406 2.31232281
0.00047747 0.00030256 0.00118485
0.01901983 -0.01140651 0.01419867
-37.53686560 0.44528587 3.85933681
0.00016588 -0.00015008 0.00045745
-0.03861365 -0.02923767 0.01870390
-8.68170856 -4.29014304 1.33828049
0.00084335 0.00066435 0.00008755
0.00264596 -0.00103042 0.01240597
-6.23316403 -4.81885728 2.95670285
-0.00010060 -0.00006223 -0.00047266
-0.00033019 -0.00764630 0.00099918
2.72968964 0.00791573 7.23684481
0.00033737 -0.00039811 0.00114205
0.00269858 -0.00229839 -0.01868421
1.61448080 1.78797235 9.28720231
-0.00019066 0.00063127 0.00046019
0.00005578 0.00170468 -0.00048013
-30.27093074 -0.29013876 2.42041790
0.00068140 0.00000973 0.00026782
0.00700358 0.01221749 0.00661340
-32.80110069 0.89352570 2.86656585
0.00092454 -0.00027819 -0.00041143
0.01996599 0.02017508 0.00059164
15.60596420 12.16642122 -18.29500371
0.00070697 -0.00065440 -0.00017811
-0.05131068 -0.04034052 -0.01091941
18.21580817 12.17550631 -16.90862350
0.00070672 -0.00015085 -0.00013801
-0.01921382 0.01865967 -0.02374645
-3.04769385 6.86152503 6.29224550
-0.00002253 -0.00040806 -0.00002126
0.00057838 -0.00986552 -0.00713268
-3.03596067 5.34094571 3.72544379
0.00007906 -0.00055825 -0.00063670
-0.00193519 0.00142879 0.02916068
5.77201015 16.51598507 -8.73346090
0.00002978 0.00004908 -0.00116433
0.00679634 -0.00095829 0.00712841
7.35980204 18.25789424 -7.05751218
-0.00094669 -0.00024420 0.00012417
-0.03074328 -0.02447690 0.00702112
7.49420093 5.32500506 -22.79687678
-0.00061513 -0.00153919 0.00164365
0.00876961 0.01556396 0.00188530
8.54287835 6.79178404 -20.36070800
-0.00028220 0.00031255 0.00027684
0.01254182 0.00750082 -0.00092869
19.20922372 21.07865860 -3.98912826
0.00019665 0.00040856 0.00078414
-0.00407030 -0.01343875 -0.01733877
19.57827593 19.58013235 -6.64199424
-0.00116152 -0.00046662 -0.00026458
0.00863100 0.00629770 0.00173771
1.64918370 12.24589670 -20.46911609
-0.00084847 0.00069904 -0.00016295
0.01615758 0.00540607 -0.00767422
0.18041947 14.40007769 -21.55824272
0.00044403 0.00072031 -0.00134947
0.02145387 0.00859921 -0.00327645
10.62445078 -6.73943990 -0.78461030
-0.00102659 -0.00056259 0.00076475
-0.00276274 -0.00325219 0.00497673
9.75753141 -3.89878386 -0.84095644
-0.00006727 -0.00007785 -0.00067475
0.00210642 -0.02921024 0.03200444
-18.30733654 -5.02533649 6.88985296
0.00058789 -0.00009678 -0.00040458
-0.00406620 0.00532533 -0.00744095
-18.72199044 -5.24266410 4.01261502
0.00023631 0.00034994 -0.00044499
0.00096175 0.01415247 0.01075737
-14.36359766 -0.22023219 19.19424509
0.00029481 0.00040062 -0.00090815
-0.00552504 0.01330433 -0.01228303
-14.06958367 -0.44365368 22.19171540
-0.00023963 -0.00026456 0.00029768
-0.00662470 -0.00538624 -0.01574932
1.33046610 3.30585628 -2.20936553
-0.00059173 -0.00130373 -0.00061638
0.00277884 -0.01098618 0.01234893
2.07121640 2.11516139 -4.80465176
0.00013574 0.00014193 -0.00030342
-0.00937618 0.01795518 0.01092788
21.95755679 -10.57750160 -6.24835533
0.00024548 0.00004995 -0.00019446
-0.03331635 -0.00312495 0.03820678
22.68062049 -9.75691387 -3.64407500
0.00097495 0.00023779 0.00032060
-0.01527539 -0.00854260 0.00372020
4.57362998 -10.34231834 7.00343626
-0.00046496 -0.00014643 0.00007715
0.04070061 -0.00317421 -0.01758087
3.04122278 -11.81271826 9.01025951
0.00065304 -0.00029395 0.00002063
0.00634814 -0.00250350 0.00576284
-2.03089357 -3.19426621 -20.71309703
-0.00039915 -0.00024640 -0.00071358
-0.00182939 -0.01198607 -0.00454421
-3.48297481 -1.68968981 -18.66263076
0.00050596 -0.00058067 -0.00025838
0.01090600 -0.00534888 -0.00045736
0.47276451 5.06067126 -9.74119906
-0.00040866 -0.00070921 -0.00006172
0.01665475 0.01081031 -0.00753423
-1.76885540 3.53423804 -9.14219520
0.00174949 0.00031307 0.00031289
0.02951883 -0.00791335 -0.03255256
-3.69228285 15.15536100 15.63457852
-0.00085762 0.00084840 -0.00073594
-0.00143683 -0.00628113 -0.00657048
-6.49197805 14.80679026 15.50045505
-0.00011316 0.00062821 -0.00113944
-0.01306929 -0.00257966 -0.00040799
-6.77231741 1.97657100 -6.31236721
0.00000363 0.00000036 -0.00025884
-0.01092636 -0.01009344 0.01406213
-4.86616791 1.29174538 -8.35880166
0.00006562 0.00037898 0.00065093
-0.00638969 0.00498712 -0.00004858
-10.19622746 -0.63377122 -3.39841297
0.00047826 -0.00031451 -0.00059426
0.01555152 0.01441906 -0.01907408
-9.49020456 2.11968934 -2.78344441
-0.00062397 -0.00010409 0.00039567
0.01464508 -0.01547420 -0.03376175
2.95287691 29.14267220 5.01829877
0.00085146 -0.00011144 -0.00023985
-0.00609338 -0.01687291 -0.00359984
3.41472580 27.99976299 7.56868217
-0.00062595 -0.00097125 -0.00100122
-0.00837264 -0.01593721 -0.01406187
8.19207790 -10.46469788 -1.09109763
-0.00051309 -0.00090004 0.00091510
0.03346487 -0.00380283 -0.00987151
10.92465902 -11.06852817 0.03526470
-0.00060889 0.00035326 0.00008569
-0.00757740 -0.00653267 0.00135832
-5.26583747 0.11465847 8.86998281
0.00066409 -0.00030510 -0.00054541
0.01491576 -0.02632894 -0.00799632
-8.23108174 -0.06151362 9.24442570
-0.00000821 0.00059220 -0.00036569
-0.00454109 -0.01758410 -0.00178083
20.39264338 11.07204075 8.79873881
-0.00046537 0.00010090 0.00089159
0.00675122 -0.00351349 -0.00483914
22.08035215 11.24387219 6.41000162
0.00117144 -0.00062038 -0.00096519
0.00967722 0.00310720 0.00930789
-2.85118314 0.28395776 -22.08864377
-0.00019521 -0.00073499 -0.00179951
-0.00217117 0.01275301 -0.03306382
-5.00903459 1.09986575 -24.16017873
-0.00052020 0.00032804 -0.00014420
0.05289789 0.00272081 0.01162578
-12.66463191 9.59898251 9.78097577
0.00061795 0.00088368 0.00043120
0.00646878 0.00666141 -0.00219273
-13.57455201 9.74669662 6.97211464
0.00040259 -0.00069342 -0.00029443
-0.00440698 -0.00742855 0.02399979
-14.10608999 4.97077133 -4.67739377
-0.00105408 -0.00050093 0.00048003
0.00029773 0.00597080 0.00910379
-14.12239487 7.80173385 -3.69622688
0.00079791 0.00059247 -0.00084597
0.00949129 -0.02792031 0.00387303
-4.03333054 -15.59508842 20.17499915
-0.00009745 0.00009964 0.00032981
-0.02570830 -0.00174871 -0.00061436
-1.52403607 -16.65920326 19.52842654
0.00015841 -0.00050119 -0.00001580
-0.00076920 0.00213917 -0.00195797
-5.81602013 5.89113315 -7.42148191
0.00135125 0.00057024 -0.00010686
0.00242178 0.01061810 -0.01534476
-7.38113963 8.26844465 -7.07117754
-0.00015998 -0.00031075 0.00009575
-0.00012342 0.01665279 -0.00174624
-21.16256924 29.45089947 0.34130478
-0.00013037 -0.00163443 0.00073385
0.00828485 0.00388613 0.00270256
-18.21149318 29.41241173 1.11291035
0.00049664 -0.00016415 -0.00126561
-0.00605088 -0.00196484 -0.00533021
9.36656279 2.79760522 6.53926111
0.00051041 0.00049054 0.00106191
-0.01489888 -0.00714335 -0.01911328
9.10048111 5.48340370 7.93452391
0.00016893 -0.00080159 -0.00064481
-0.00075983 0.00104773 -0.00421650
8.15689200 17.48677250 -12.30031865
-0.00065070 0.00054115 -0.00027434
-0.01129475 -0.01493252 0.00881567
8.44788326 14.70692987 -11.95014688
0.00006591 0.00110584 -0.00072421
-0.00541571 -0.00707956 0.00154091
12.03646344 5.98971447 -1.23299618
-0.00052063 -0.00013396 0.00075525
0.04340065 -0.02059790 -0.00186323
13.78877677 4.17479412 0.32472021
-0.00064104 -0.00031955 -0.00029532
-0.00117686 -0.01342741 0.02406632
-4.28168462 11.20897278 -2.00548003
0.00007064 -0.00001753 -0.00039349
0.02087023 -0.01266087 0.00168284
-7.00919073 10.69410108 -0.78144685
-0.00169215 0.00042910 0.00043624
0.00917669 -0.00362603 0.00207238
7.34483617 14.22828428 4.59803891
0.00019430 0.00015367 0.00046872
-0.01302731 0.03989019 -0.01396315
9.12523333 12.03367534 3.89154761
0.00072459 -0.00008226 -0.00048336
-0.02393661 0.01028924 0.03186414
20.44352096 -13.07691877 -8.83268727
-0.00020176 -0.00081883 0.00057080
0.01912805 0.02394909 -0.01642748
23.23587135 -12.35376038 -8.65928207
0.00001586 -0.00025161 -0.00024986
0.03436719 -0.01180619 0.01423580
19.98172945 -4.86887027 -2.71752067
0.00048716 0.00026713 0.00023163
-0.00986002 -0.00408162 0.00084828
18.29292649 -6.92306534 -1.34812678
-0.00081486 -0.00033596 0.00050219
0.00739273 0.00784687 -0.00310890
13.85995156 9.61139421 8.60072842
0.00034302 0.00027520 0.00051306
0.00186146 -0.01026182 0.00626057
15.02418064 7.73815379 10.50004310
0.00035974 -0.00058570 -0.00003150
0.00492951 0.00044044 0.03206513
2.98065287 -15.24808463 17.25739906
0.00040460 0.00038942 -0.00056672
0.00443890 0.02337977 0.00418270
3.75356265 -12.15169288 17.19493604
-0.00094147 0.00024673 -0.00064840
-0.00617129 -0.00045884 0.01830769
-2.74358822 -3.90489130 -12.60408103
0.00033697 0.00048556 0.00014318
0.00514278 0.01656624 -0.00919753
-1.15298983 -1.36146432 -13.14469790
0.00107423 -0.00007991 -0.00012916
0.00323258 -0.01334597 -0.00414552
16.21624615 -7.76398680 -14.87588724
0.00025275 0.00043850 -0.00040014
-0.01326838 0.00587130 0.01431600
16.63866405 -8.25848029 -11.96112173
0.00063892 -0.00086235 -0.00049455
-0.01454007 0.01687721 -0.01027637
7.80178901 -3.87932163 6.42832351
-0.00031808 0.00032572 -0.00087719
0.03527100 0.00452391 -0.01011233
10.55678544 -4.08469372 5.20683023
-0.00023168 -0.00087593 -0.00044526
0.00570017 -0.00662548 -0.01947613
-21.10423743 0.88787454 25.11392924
-0.00064035 -0.00091146 0.00027100
-0.01972188 -0.00694282 0.00624840
-19.11111030 2.94314451 25.84535891
-0.00005134 -0.00041672 0.00008221
-0.01026143 -0.00123527 0.00486457
25.37476386 -2.78818869 -7.23021102
0.00025083 -0.00025232 0.00040564
-0.01084966 0.01667429 -0.00679477
23.79423201 -1.02096382 -9.13214998
-0.00154916 0.00058085 0.00006461
0.00863800 0.00016636 -0.00506998
11.67028361 -9.92033521 -9.43273493
0.00031319 -0.00002669 -0.00038332
0.00673426 -0.01360132 -0.01845864
12.87872006 -9.41889540 -12.05945265
0.00039500 -0.00031232 0.00026025
0.00782468 0.01301006 -0.00533726
-7.38296594 -10.57320600 17.70133008
0.00062423 -0.00017101 -0.00064978
-0.03146631 -0.00914433 -0.02511327
-10.24068940 -11.16623820 17.65442834
-0.00017716 0.00116632 -0.00001065
-0.00987217 0.00297663 0.00519962
7.96878444 1.97875332 -29.26646476
0.00033998 -0.00070332 0.00028772
0.01228807 -0.00567582 -0.01387677
5.45164594 0.71056167 -28.61005419
-0.00033520 -0.00011587 0.00099113
-0.02017324 -0.00939197 -0.01169138
14.36327508 19.28648857 13.52499587
-0.00016392 0.00043437 0.00051736
-0.03223534 -0.00926346 -0.00318390
13.08028856 17.77906887 11.41070563
-0.00003330 -0.00003143 -0.00013043
-0.01182230 0.01783082 0.03157943
27.76623981 7.67165116 -11.65205168
0.00037745 0.00010397 0.00000318
0.01405120 0.00353816 -0.00409003
26.13599007 7.65319410 -9.19800840
-0.00070200 -0.00017518 -0.00004052
0.00310537 0.00052135 -0.01945249
-7.90777661 4.68995867 6.09731127
0.00012829 0.00010228 0.00006922
-0.00044660 -0.00706295 0.00292812
-10.45449779 9.18379629 2.92974267
0.00018117 -0.00007440 0.00013498
0.01278283 -0.00448800 0.01281357
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.07659215
0.28467173
379.31081155
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0601017442
ExchangeOperator: pair fraction: ispin=0: 0.1488155760
ExchangeOperator: bisection time: 1.516 s
total exchange = -52.2982202619 (a.u.)
total exchange computation time: 2.8687479496 s
-153.8864796995
-931.35794611
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0601017442
ExchangeOperator: pair fraction: ispin=0: 0.1488155760
ExchangeOperator: bisection time: 1.513 s
total exchange = -52.2986660235 (a.u.)
total exchange computation time: 2.8734118938 s
-153.8833587011
Anderson extrapolation: theta=1.3523568317 (1.3523568317)
-931.35816672
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0601017442
ExchangeOperator: pair fraction: ispin=0: 0.1488155760
ExchangeOperator: bisection time: 1.513 s
total exchange = -52.2992452932 (a.u.)
total exchange computation time: 2.8711280823 s
-153.8793872986
Anderson extrapolation: theta=0.0528631855 (0.0528631855)
-931.35829941
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0601017442
ExchangeOperator: pair fraction: ispin=0: 0.1488155760
ExchangeOperator: bisection time: 1.515 s
total exchange = -52.2992502707 (a.u.)
total exchange computation time: 2.8703410625 s
-153.8794619399
Anderson extrapolation: theta=2.0344138638 (2.0000000000)
-931.35830482
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0601017442
ExchangeOperator: pair fraction: ispin=0: 0.1488155760
ExchangeOperator: bisection time: 1.514 s
total exchange = -52.2992463270 (a.u.)
total exchange computation time: 2.8705990314 s
-153.8796906450
Anderson extrapolation: theta=0.2511606327 (0.2511606327)
-931.35831102
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0601017442
ExchangeOperator: pair fraction: ispin=0: 0.1488155760
ExchangeOperator: bisection time: 1.515 s
total exchange = -52.2992401874 (a.u.)
total exchange computation time: 2.8700389862 s
-153.8797495439
Anderson extrapolation: theta=1.7557522464 (1.7557522464)
-931.35831230
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0601017442
ExchangeOperator: pair fraction: ispin=0: 0.1488155760
ExchangeOperator: bisection time: 1.514 s
total exchange = -52.2992365286 (a.u.)
total exchange computation time: 2.8685190678 s
-153.8797516873
Anderson extrapolation: theta=0.3004070569 (0.3004070569)
-931.35831376
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0601017442
ExchangeOperator: pair fraction: ispin=0: 0.1488155760
ExchangeOperator: bisection time: 1.514 s
total exchange = -52.2992428909 (a.u.)
total exchange computation time: 2.8679199219 s
-153.8796578096
Anderson extrapolation: theta=1.1841690968 (1.1841690968)
-931.35831409
19.326631 -16.348108 -167.590194
562.570506 1074.982150 -404.863858
581.897137 1058.634042 -572.454052
1336.792413
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0601017442
ExchangeOperator: pair fraction: ispin=0: 0.1488155760
ExchangeOperator: bisection time: 1.514 s
total exchange = -52.2992553615 (a.u.)
total exchange computation time: 2.8700859547 s
677.71650033
-1081.54531598
89.91064636
-390.53931260
-174.60157702
77.02365104
551.60419304
0.00000000
-931.35831427
4.58330502 -30.87054689 -3.53181859
-0.00007275 -0.00011881 0.00018076
0.00146613 -0.00030082 0.00162586
-11.88732015 2.07087077 -9.40453094
0.00019585 0.00007363 0.00015506
0.01837963 0.00564470 0.00054003
-36.20465209 1.30228702 3.12688931
-0.00004375 0.00032843 -0.00009773
0.02250836 0.03103765 -0.02563159
-7.48393296 -3.55611558 2.58301587
-0.00001288 0.00015703 0.00008755
-0.00491981 0.00431944 -0.00782985
2.26161378 0.11022273 8.96076172
0.00006209 -0.00008081 -0.00003696
-0.01228195 0.00215414 0.03151766
-30.98104947 1.42715526 2.69587137
-0.00030793 0.00018094 -0.00015152
-0.01872360 -0.02666685 -0.00312975
16.93325472 13.22306762 -18.02023984
-0.00020968 -0.00005432 -0.00052110
0.07674190 0.02254127 0.03760760
-3.42540551 5.19576096 5.56150118
0.00001364 -0.00013525 0.00002242
0.00238389 0.00792027 -0.03082571
5.80595497 17.13423876 -6.95709614
-0.00003685 -0.00014296 0.00010866
0.02262362 0.02312463 -0.02179199
7.24531770 5.69332310 -20.98452533
0.00022510 0.00017351 -0.00014622
-0.03278494 -0.01671784 0.01369146
18.61202730 19.64247443 -5.11547449
0.00004782 -0.00000564 -0.00019160
0.00066731 0.00714001 0.02231995
1.96074861 13.93363577 -21.17130751
0.00006101 0.00002801 -0.00014347
-0.03181117 -0.00474180 0.01076287
10.33858805 -5.34856514 0.38874639
0.00023802 0.00012731 0.00024643
-0.00135847 0.03036113 -0.03933743
-18.24140200 -4.02243559 5.34341309
0.00042690 -0.00043728 0.00003107
0.00623471 -0.02107045 -0.00335903
-14.24050361 -1.38623705 20.58130845
-0.00016235 0.00010455 0.00029739
0.01272868 -0.00433868 0.01874762
1.59688946 3.71345523 -3.94318512
0.00000141 0.00018387 -0.00021728
0.00867983 -0.00867289 -0.02293875
21.24105767 -10.64743357 -4.44702293
-0.00018940 -0.00009846 -0.00013566
0.05011414 0.02598473 -0.03270739
3.07215350 -10.36180898 7.90066591
0.00002981 -0.00011412 -0.00025400
-0.04887705 0.00453944 0.01431114
-1.86255827 -1.83215133 -19.52109256
-0.00010064 0.00015546 -0.00013677
-0.00712272 0.01234134 -0.00441162
-0.28098606 3.54735513 -10.37209477
-0.00046780 0.00017199 -0.00030933
-0.04418444 -0.00376177 0.03569781
-5.01267261 14.63918743 14.47765512
0.00010848 0.00011915 0.00009812
0.01266000 0.00528984 -0.00678772
-5.44345493 2.68231157 -7.31798982
0.00021535 0.00023533 0.00016001
0.01391655 -0.00255430 -0.00761356
-9.19440007 0.76972956 -4.14516275
-0.00014228 0.00020781 0.00022415
-0.02223586 0.00701224 0.04900690
2.91185487 27.47220968 5.83953062
-0.00007082 0.00000714 0.00006299
0.01101901 0.03673938 0.01364613
10.01599115 -10.74932870 -1.54056721
-0.00007005 -0.00031722 0.00014404
-0.04282950 0.01909510 -0.00843296
-6.78060709 0.98582388 9.23829947
-0.00010192 0.00006543 0.00013159
-0.00218194 0.04017850 0.00607376
20.38672847 10.82477379 6.97628601
-0.00042058 -0.00007434 -0.00009197
-0.00954329 -0.00005413 0.00075352
-3.07015693 1.10128274 -23.83848991
0.00007266 -0.00005733 0.00005508
-0.05552966 -0.01500996 0.01376456
-13.78675269 8.80392570 8.57578854
0.00037866 0.00000900 0.00013526
-0.00555374 -0.00951393 -0.01509944
-13.49043008 6.06485438 -3.31700233
-0.00020461 -0.00008813 -0.00014346
-0.01089040 0.02175834 -0.02235243
-2.31439278 -15.37743513 20.56744715
-0.00025238 -0.00009159 -0.00010079
0.02474532 -0.00459772 0.00422615
-5.99917391 7.63078610 -8.08044789
-0.00005149 0.00029801 0.00041082
0.00371623 -0.01679622 0.00483754
-19.74969554 30.42107339 1.00761770
0.00025464 -0.00005294 -0.00019281
-0.00489200 -0.00281271 0.00420589
9.85002239 3.79751717 7.93714792
-0.00012617 0.00008099 -0.00003277
0.02223751 0.00918214 0.02893010
7.18398166 16.00672431 -11.68062822
0.00014165 0.00013973 0.00020565
0.01209603 0.02248062 -0.00886587
13.75676082 5.10167126 -1.20488865
-0.00024491 -0.00032270 -0.00014264
-0.04121096 0.03007161 -0.02524349
-6.05271574 11.45821010 -2.12980184
-0.00009340 0.00012311 0.00031511
-0.01027657 0.01492744 0.01668722
7.87514129 12.68484802 5.23972612
-0.00024776 -0.00032062 0.00024833
0.03737181 -0.04290145 -0.02658121
21.80825467 -12.01007053 -9.64031031
-0.00046302 0.00022257 0.00014530
-0.06333470 -0.01461086 0.00406910
19.85056795 -5.95033641 -1.21544412
-0.00015558 0.00011886 0.00040296
-0.00659830 -0.00195396 0.00681756
14.71658340 8.00801573 8.76658344
0.00029942 0.00007664 0.00020065
-0.00073243 0.00670665 -0.03330651
3.80014624 -13.78523290 16.41733391
0.00000211 -0.00000958 0.00014983
0.00555569 -0.02359372 -0.02803024
-2.55820966 -2.43020826 -13.70954980
-0.00014524 0.00006669 0.00010989
-0.00355841 0.00292531 0.01187348
15.50435884 -7.35671492 -13.16080921
-0.00008490 0.00002255 -0.00001259
0.02669569 -0.02325228 0.00039170
9.68283890 -3.68041133 6.70541009
0.00036397 -0.00016527 -0.00000237
-0.04433766 0.00679004 0.01862077
-19.40816874 1.39880562 24.89939972
0.00011953 0.00012890 -0.00004392
0.01691944 -0.00248403 -0.01383876
24.29995087 -1.22881515 -7.40081678
-0.00028971 0.00020762 -0.00009168
0.01085572 -0.01469386 0.01453349
11.64855852 -10.48198562 -11.23693103
-0.00008023 -0.00007087 -0.00030958
-0.01293332 0.01383930 0.03363068
-8.91074936 -10.79556169 16.47712010
0.00021080 0.00016637 0.00006898
0.01766238 0.00392052 -0.00379715
6.83393674 1.58918783 -27.88580408
0.00029178 0.00002759 -0.00011485
0.00951946 0.00975963 0.02051921
12.62129819 18.75802827 12.98805394
0.00001272 -0.00028729 -0.00032134
0.04545389 -0.01158131 -0.02548921
26.04581105 7.53561214 -11.08466893
-0.00013408 0.00007242 0.00006933
-0.00171879 -0.00386680 0.01934552
5.23054146 -29.63499057 -4.72902605
-0.00017418 -0.00060368 -0.00054887
0.00224334 0.00254359 -0.00453469
4.25162320 -29.89012118 -2.01990225
-0.00016268 0.00016434 -0.00074016
-0.00615116 -0.00835878 0.00255680
-10.09301764 1.99581427 -8.90386591
0.00118656 0.00064750 0.00053596
-0.02367421 0.00085763 -0.00753419
-11.94012267 2.69064038 -11.16531400
0.00052092 -0.00036346 0.00006543
-0.00038549 -0.00298428 0.00773442
-37.01463046 2.86179289 2.33053072
0.00055074 0.00025972 0.00123949
0.01684763 -0.00956408 0.01254770
-37.53556058 0.44213874 3.86677171
0.00001456 -0.00026446 0.00052992
-0.03545900 -0.02675029 0.01677218
-8.66897723 -4.28020936 1.33997394
0.00084753 0.00065686 0.00013174
-0.00059888 -0.00263377 0.00922422
-6.23468318 -4.82002501 2.94964351
-0.00010125 -0.00009333 -0.00046783
0.00001307 -0.00757765 0.00136542
2.73483282 0.00187360 7.25340309
0.00035315 -0.00040757 0.00104771
0.00502590 -0.00233008 -0.02750031
1.61162263 1.79749366 9.29409041
-0.00018572 0.00062620 0.00045496
0.00236372 -0.00418898 -0.00207728
-30.26049516 -0.28961841 2.42463779
0.00070745 0.00006473 0.00029549
0.00574724 0.01470305 0.00693184
-32.78662082 0.88997102 2.86041260
0.00099367 -0.00019874 -0.00040776
0.01387312 0.01871969 0.00120268
15.61499643 12.15536901 -18.29801002
0.00049275 -0.00082355 -0.00022364
-0.05354979 -0.04245810 -0.01136647
18.22582018 12.17381539 -16.91142135
0.00062514 -0.00007186 -0.00023712
-0.02072025 0.02000404 -0.02476629
-3.04801409 6.85510187 6.29170804
-0.00001911 -0.00044423 -0.00004951
0.00109701 -0.00783984 -0.00669608
-3.03483411 5.33261570 3.71678687
0.00006975 -0.00055199 -0.00051000
-0.00262071 0.00163559 0.03285859
5.77266516 16.51669187 -8.75070735
0.00005811 0.00004889 -0.00112293
0.00707028 0.00086558 0.01313487
7.34465958 18.25348120 -7.05543442
-0.00106364 -0.00033850 0.00015286
-0.02650266 -0.02168486 0.00701856
7.48524272 5.30239414 -22.77216418
-0.00057523 -0.00147695 0.00163380
0.01075881 0.01490334 -0.00671091
8.53902972 6.79670218 -20.35658378
-0.00022917 0.00034405 0.00027113
0.01341455 0.00791605 -0.00186693
19.21204880 21.08437526 -3.97789742
0.00017803 0.00034787 0.00070668
-0.00504782 -0.01627076 -0.02058238
19.56111756 19.57332607 -6.64590973
-0.00112060 -0.00044006 -0.00026483
0.01140223 0.00670419 -0.00185868
1.63695184 12.25654803 -20.47179556
-0.00078349 0.00071487 -0.00019163
0.01564947 0.00234263 -0.00636208
0.18773730 14.41114590 -21.57858517
0.00053149 0.00075486 -0.00136200
0.02136077 0.00831292 -0.00285948
10.60896729 -6.74797840 -0.77298659
-0.00103731 -0.00057571 0.00078514
-0.00248527 -0.00316994 0.00500754
9.75658696 -3.90084671 -0.85009702
-0.00005775 -0.00019842 -0.00054093
0.00255074 -0.02980809 0.03350186
-18.29864279 -5.02662496 6.88355629
0.00057055 -0.00008034 -0.00042873
-0.00442031 0.00271956 -0.00438447
-18.71841624 -5.23698131 4.00626987
0.00023986 0.00040564 -0.00040141
0.00077248 0.01311401 0.01057540
-14.35934479 -0.21381524 19.18024650
0.00027338 0.00044505 -0.00094456
-0.00496722 0.00844681 -0.00553979
-14.07338117 -0.44778721 22.19569794
-0.00026630 -0.00028396 0.00023495
-0.00642872 -0.00410919 -0.01495471
1.32167531 3.28596375 -2.21823284
-0.00058065 -0.00134684 -0.00056632
0.00264639 -0.01012046 0.01215575
2.07296520 2.11784052 -4.80886820
0.00009715 0.00021623 -0.00025998
-0.00951361 0.01841534 0.01033882
21.96021804 -10.57684809 -6.25010140
0.00010831 0.00003717 -0.00003760
-0.03383002 -0.00313092 0.03857753
22.69477672 -9.75360880 -3.63915197
0.00090038 0.00019541 0.00032891
-0.02122941 -0.01220188 0.00034766
4.56790274 -10.34461202 7.00405482
-0.00028920 -0.00015864 -0.00000083
0.04533512 -0.00280563 -0.02059399
3.05121298 -11.81720419 9.01074549
0.00067806 -0.00030055 0.00004178
0.00589559 -0.00072703 0.00459459
-2.03693689 -3.19832949 -20.72394000
-0.00040472 -0.00028729 -0.00072479
-0.00089457 -0.00802899 -0.00094350
-3.47505119 -1.69856375 -18.66652044
0.00054163 -0.00060079 -0.00025509
0.00655534 -0.00449847 0.00206710
0.46714499 5.05036432 -9.74235567
-0.00033365 -0.00065567 -0.00009070
0.02006291 0.01539905 -0.00665397
-1.74170856 3.53869166 -9.13849938
0.00185533 0.00027772 0.00018800
0.02229194 -0.00939235 -0.02858175
-3.70519123 15.16789457 15.62333808
-0.00085221 0.00082726 -0.00075223
0.00408515 -0.00406996 -0.00140509
-6.49407590 14.81613443 15.48335094
-0.00017235 0.00061842 -0.00113666
-0.01590595 -0.00221324 0.00177062
-6.77259779 1.97626715 -6.31581892
-0.00004072 -0.00003935 -0.00020114
-0.01078333 -0.00934734 0.01418233
-4.86537946 1.29758297 -8.34903924
0.00004283 0.00039444 0.00064604
-0.00476622 0.00258087 -0.00234343
-10.18857704 -0.63804706 -3.40791140
0.00053956 -0.00025781 -0.00066996
0.01445412 0.01333896 -0.01797871
-9.49911527 2.11765383 -2.77854399
-0.00056422 -0.00016666 0.00025812
0.01459888 -0.01515521 -0.03356659
2.96546206 29.14048361 5.01459063
0.00082642 -0.00018072 -0.00025414
-0.00616326 -0.01703995 -0.00339327
3.40507999 27.98470586 7.55323303
-0.00065494 -0.00103039 -0.00104124
-0.00581840 -0.01301044 -0.00552944
8.18540704 -10.47831494 -1.07767369
-0.00037178 -0.00091584 0.00087181
0.03570413 -0.00393609 -0.01131489
10.91529341 -11.06342948 0.03659166
-0.00063540 0.00032520 0.00009549
-0.00539577 -0.00720231 0.00344008
-5.25541909 0.10927517 8.86155661
0.00070977 -0.00040440 -0.00057432
0.00744778 -0.02228021 -0.00615410
-8.23134408 -0.05316942 9.23888572
-0.00003193 0.00051594 -0.00037323
-0.00707082 -0.01974469 -0.00190889
20.38586968 11.07344651 8.81196443
-0.00043620 0.00008496 0.00085728
0.00752692 -0.00428680 -0.01195518
22.09822034 11.23466173 6.39580900
0.00118965 -0.00061232 -0.00091750
-0.00076460 0.00083547 0.01403615
-2.85417777 0.27332372 -22.11664964
-0.00020248 -0.00068750 -0.00192017
-0.00139038 0.01049417 -0.02599738
-5.01521658 1.10486968 -24.16198554
-0.00029944 0.00033897 -0.00009621
0.05516512 0.00263295 0.01186869
-12.65516446 9.61244185 9.78737661
0.00063818 0.00090651 0.00041488
0.00343404 0.00451533 -0.00579489
-13.56864818 9.73606771 6.96843364
0.00038484 -0.00072300 -0.00019606
-0.00428480 -0.00705226 0.02415444
-14.12189214 4.96344032 -4.66991428
-0.00105227 -0.00047519 0.00051717
0.00059143 0.00662966 0.00907507
-14.11013532 7.80976530 -3.70879780
0.00083735 0.00047291 -0.00082872
0.00981077 -0.03060331 0.00457232
-4.03558008 -15.59364744 20.17992744
-0.00020610 0.00009144 0.00032593
-0.02747503 -0.00226654 -0.00128421
-1.52168347 -16.66665563 19.52812953
0.00015140 -0.00048762 -0.00002041
-0.00266115 0.00450651 -0.00029904
-5.79567711 5.90001205 -7.42355499
0.00135969 0.00061036 -0.00016706
0.00170924 0.00902156 -0.01412202
-7.38354307 8.26429372 -7.06979484
-0.00016371 -0.00024240 0.00009150
-0.00170300 0.01680463 -0.00033299
-21.16427094 29.42650206 0.35239536
-0.00008839 -0.00161103 0.00074861
0.01226351 0.00757027 0.00452203
-18.20422903 29.40988926 1.09376292
0.00047018 -0.00016988 -0.00128637
-0.00690213 -0.00084082 -0.00483340
9.37376245 2.80474445 6.55460409
0.00044403 0.00044807 0.00096639
-0.01759639 -0.01364698 -0.02764710
9.10299175 5.47141190 7.92472250
0.00016089 -0.00078545 -0.00066091
-0.00317640 0.00685584 -0.00366211
8.14678541 17.49443221 -12.30416363
-0.00069701 0.00048008 -0.00023788
-0.01137728 -0.01496255 0.00903439
8.44870595 14.72330058 -11.96096283
0.00004993 0.00106960 -0.00071881
-0.00240668 -0.01066204 0.00110054
12.02998392 5.98707394 -1.22172460
-0.00034129 -0.00021855 0.00074553
0.04438835 -0.02081052 -0.00289236
13.77912514 4.16958944 0.32102782
-0.00064456 -0.00037571 -0.00019544
-0.00054523 -0.01406272 0.02482812
-4.27998555 11.20832189 -2.01133078
0.00015229 -0.00007018 -0.00038449
0.01909997 -0.01311019 0.00272339
-7.03429181 10.70042648 -0.77483979
-0.00164545 0.00041863 0.00043619
0.01368614 -0.00149878 -0.00209340
7.34735145 14.23181170 4.60464177
0.00014304 0.00031175 0.00041384
-0.01206443 0.03749011 -0.01289894
9.13536875 12.03275671 3.88527362
0.00062093 -0.00003807 -0.00034658
-0.02680910 0.01134427 0.03509190
20.44108065 -13.08846738 -8.82462873
-0.00012046 -0.00071689 0.00050102
0.02066864 0.02595417 -0.01773037
23.23716229 -12.35789624 -8.66259374
0.00015154 -0.00029845 -0.00019577
0.03205209 -0.01112400 0.01224162
19.98873466 -4.86498844 -2.71402027
0.00044529 0.00024743 0.00023740
-0.01063275 -0.00556004 0.00197695
18.28093015 -6.92786428 -1.34068920
-0.00077526 -0.00029788 0.00048925
0.01199266 0.01079466 -0.00322724
13.86515395 9.61520768 8.60861618
0.00035147 0.00023150 0.00053914
0.00227506 -0.01112748 0.00650436
15.02972777 7.72938184 10.50055319
0.00037978 -0.00058363 0.00010038
0.00487997 0.00057017 0.03249286
2.98685785 -15.24152685 17.24902650
0.00041765 0.00047762 -0.00054391
0.00195147 0.01979519 0.00697992
3.73925147 -12.14800606 17.18577103
-0.00096687 0.00024511 -0.00057258
-0.00625914 -0.00033336 0.01880944
-2.73837611 -3.89710022 -12.60221524
0.00035661 0.00054793 0.00010877
0.00447375 0.01396355 -0.00764492
-1.13677732 -1.36307187 -13.14676236
0.00107952 -0.00013937 -0.00014986
-0.00064370 -0.01576206 -0.00598812
16.21963087 -7.75722946 -14.88145062
0.00019630 0.00046296 -0.00033881
-0.01436783 0.00610647 0.01570304
16.64780236 -8.27089833 -11.96885486
0.00057512 -0.00078961 -0.00053971
-0.01669230 0.01872819 -0.01183115
7.79809864 -3.87429720 6.41485578
-0.00016720 0.00034490 -0.00091561
0.03858648 0.00486390 -0.00869367
10.55348484 -4.09803569 5.19955449
-0.00020954 -0.00090182 -0.00052061
0.00513772 -0.00604676 -0.01740698
-21.11444695 0.87398984 25.11818578
-0.00070214 -0.00093381 0.00029452
-0.01052945 -0.00399684 0.00526130
-19.11219490 2.93685581 25.84674116
-0.00009291 -0.00041661 0.00010531
-0.01008383 0.00129030 0.00644031
25.37819383 -2.79146260 -7.22433462
0.00020172 -0.00017831 0.00037497
-0.01319121 0.01955717 -0.00821873
23.77125925 -1.01224604 -9.13133614
-0.00151134 0.00057931 0.00004786
0.00987745 -0.00091657 -0.00313223
11.67518777 -9.92115231 -9.43905039
0.00033960 -0.00008262 -0.00045704
0.00619734 -0.01377961 -0.01762899
12.88488482 -9.42318149 -12.05571241
0.00042746 -0.00025881 0.00023661
0.00806734 0.01318294 -0.00623421
-7.37456675 -10.57605137 17.69081387
0.00049565 -0.00020787 -0.00074966
-0.03147137 -0.00889950 -0.02377963
-10.24364928 -11.14865220 17.65442796
-0.00021557 0.00117852 0.00001060
-0.00893299 0.00299461 0.00520316
7.97426074 1.96802954 -29.26257417
0.00039269 -0.00072550 0.00022580
0.01351194 -0.00518040 -0.01643561
5.44599983 0.70853578 -28.59554552
-0.00041461 -0.00015254 0.00094340
-0.01870263 -0.00855643 -0.01167194
14.35982851 19.29272023 13.53265870
-0.00029794 0.00039472 0.00050171
-0.03336919 -0.01014705 -0.00447439
13.07942678 17.77914377 11.40971692
-0.00007936 0.00003973 -0.00000431
-0.01072439 0.01700441 0.03015591
27.77233219 7.67331908 -11.65212931
0.00042721 0.00011774 -0.00001050
0.01030682 0.00320500 -0.00260447
26.12555522 7.65058234 -9.19921234
-0.00068781 -0.00017266 -0.00011823
0.00383898 0.00071302 -0.01858315
-7.90585351 4.69147394 6.09835740
0.00012813 0.00009977 0.00007026
-0.00043661 -0.00696077 0.00291620
-10.45175804 9.18267244 2.93178968
0.00018411 -0.00007544 0.00013795
0.01259300 -0.00442971 0.01277200
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.07656072
0.28175355
375.42247798
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0601017442
ExchangeOperator: pair fraction: ispin=0: 0.1485992428
ExchangeOperator: bisection time: 1.513 s
total exchange = -52.2975346739 (a.u.)
total exchange computation time: 2.9081110954 s
-153.8812786359
-931.35429689
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0601017442
ExchangeOperator: pair fraction: ispin=0: 0.1485992428
ExchangeOperator: bisection time: 1.516 s
total exchange = -52.2980052213 (a.u.)
total exchange computation time: 2.9067718983 s
-153.8781745468
Anderson extrapolation: theta=1.3714326261 (1.3714326261)
-931.35452564
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0601017442
ExchangeOperator: pair fraction: ispin=0: 0.1485992428
ExchangeOperator: bisection time: 1.513 s
total exchange = -52.2986379712 (a.u.)
total exchange computation time: 2.9076259136 s
-153.8741477198
Anderson extrapolation: theta=0.0600853299 (0.0600853299)
-931.35466762
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0601017442
ExchangeOperator: pair fraction: ispin=0: 0.1485992428
ExchangeOperator: bisection time: 1.515 s
total exchange = -52.2986584876 (a.u.)
total exchange computation time: 2.9066419601 s
-153.8741846975
Anderson extrapolation: theta=2.2279128716 (2.0000000000)
-931.35467477
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0600290698
ExchangeOperator: pair fraction: ispin=0: 0.1484694429
ExchangeOperator: bisection time: 1.513 s
total exchange = -52.2986881806 (a.u.)
total exchange computation time: 2.9283239841 s
-153.8743415037
Anderson extrapolation: theta=0.3597613987 (0.3597613987)
-931.35468354
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0600290698
ExchangeOperator: pair fraction: ispin=0: 0.1484694429
ExchangeOperator: bisection time: 1.514 s
total exchange = -52.2986964178 (a.u.)
total exchange computation time: 2.9296061993 s
-153.8743886330
Anderson extrapolation: theta=1.2364617304 (1.2364617304)
-931.35468602
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0600290698
ExchangeOperator: pair fraction: ispin=0: 0.1484694429
ExchangeOperator: bisection time: 1.512 s
total exchange = -52.2987119795 (a.u.)
total exchange computation time: 2.9289591312 s
-153.8743549945
Anderson extrapolation: theta=0.4396596385 (0.4396596385)
-931.35468819
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0600290698
ExchangeOperator: pair fraction: ispin=0: 0.1484694429
ExchangeOperator: bisection time: 1.512 s
total exchange = -52.2987248165 (a.u.)
total exchange computation time: 2.9285330772 s
-153.8742496542
Anderson extrapolation: theta=0.8616335584 (0.8616335584)
-931.35468890
19.418974 -16.377896 -167.593252
562.563838 1074.958034 -404.911226
581.982812 1058.580138 -572.504479
1336.808618
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0600290698
ExchangeOperator: pair fraction: ispin=0: 0.1484694429
ExchangeOperator: bisection time: 1.516 s
total exchange = -52.2987395739 (a.u.)
total exchange computation time: 2.9284241199 s
677.72380772
-1081.54820639
89.90630010
-390.53619994
-174.60165118
77.02307913
551.60419304
0.00000000
-931.35468927
4.58221947 -30.87233020 -3.52910094
-0.00007176 -0.00011943 0.00018041
0.00238419 -0.00210797 -0.00296793
-11.88431151 2.07199702 -9.40220291
0.00020697 0.00007641 0.00015587
0.02486624 0.00517266 0.00258114
-36.20522157 1.30733319 3.12532445
-0.00003280 0.00034273 -0.00010967
0.02006872 0.02455889 -0.02080406
-7.48414521 -3.55374346 2.58429891
-0.00001452 0.00015964 0.00008433
-0.00144823 0.00583662 -0.00469942
2.26249780 0.10901889 8.96032893
0.00005459 -0.00007830 -0.00001828
-0.01689725 0.00760072 0.04112655
-30.98574058 1.42976656 2.69358643
-0.00031540 0.00016709 -0.00015335
-0.01035906 -0.02719583 -0.00398334
16.93040556 13.22233974 -18.02791132
-0.00017001 -0.00004295 -0.00050150
0.07752109 0.02167202 0.03862285
-3.42519173 5.19376282 5.56171852
0.00001484 -0.00013181 0.00000570
0.00230373 0.00544423 -0.03419491
5.80548945 17.13218356 -6.95555024
-0.00002661 -0.00013236 0.00009606
0.01721251 0.01810293 -0.02723019
7.24856780 5.69586129 -20.98666585
0.00020766 0.00016536 -0.00013652
-0.03506314 -0.01499803 0.02402627
18.61274713 19.64241742 -5.11826244
0.00004769 -0.00000140 -0.00017847
-0.00117937 0.00933901 0.02875919
1.96154104 13.93403758 -21.17341811
0.00004488 0.00002651 -0.00013839
-0.03092419 -0.00108180 0.00902576
10.34215305 -5.34653834 0.39229112
0.00023711 0.00014296 0.00022593
-0.00215422 0.03049433 -0.04039794
-18.23497444 -4.02907613 5.34386622
0.00043031 -0.00044705 0.00002863
0.00702186 -0.01691861 -0.00612254
-14.24288971 -1.38468558 20.58584164
-0.00015599 0.00010316 0.00030493
0.01199869 -0.00106096 0.01058185
1.59694415 3.71617979 -3.94653285
0.00000586 0.00017905 -0.00022865
0.00859590 -0.01006093 -0.02124858
21.23840995 -10.64881029 -4.44918398
-0.00016229 -0.00008431 -0.00015157
0.05531729 0.02904881 -0.02915717
3.07241217 -10.36350328 7.89691104
0.00000403 -0.00011237 -0.00024589
-0.05139000 0.00226710 0.01722654
-1.86409534 -1.82977179 -19.52316120
-0.00010330 0.00016047 -0.00014065
-0.00321600 0.00713255 -0.01066546
-0.28817349 3.54992046 -10.37659701
-0.00048921 0.00016935 -0.00029248
-0.03906331 -0.00650592 0.02983969
-5.01099662 14.64099512 14.47910081
0.00011412 0.00012114 0.00009282
0.00930128 0.00244980 -0.01384593
-5.44017102 2.68583160 -7.31561906
0.00022192 0.00023446 0.00015679
0.01164789 -0.00081917 -0.00490282
-9.19662000 0.77287375 -4.14161153
-0.00015325 0.00021159 0.00024876
-0.02043321 0.00770212 0.04671201
2.91083504 27.47245843 5.84052815
-0.00006582 0.00002519 0.00006749
0.00841982 0.03348085 0.00386051
10.01477525 -10.75401336 -1.53843915
-0.00009296 -0.00030722 0.00013948
-0.04629009 0.01979888 -0.00930213
-6.78214427 0.98696027 9.24029676
-0.00010055 0.00008543 0.00013427
0.00749348 0.03760788 0.00434852
20.38038302 10.82365844 6.97490943
-0.00042318 -0.00007366 -0.00009105
-0.00058499 0.00269066 0.00280779
-3.06928116 1.10036493 -23.83761057
0.00004351 -0.00006427 0.00006002
-0.05783872 -0.01197949 0.00544213
-13.78109416 8.80402401 8.57775919
0.00037644 0.00000447 0.00012847
-0.00310970 -0.00810767 -0.01129313
-13.49354128 6.06361640 -3.31924048
-0.00021024 -0.00007661 -0.00015511
-0.01098594 0.02302290 -0.02294088
-2.31808305 -15.37882675 20.56595165
-0.00023922 -0.00009441 -0.00009901
0.02644693 -0.00636272 0.00268834
-5.99993188 7.63519140 -8.07426691
-0.00004905 0.00028981 0.00041269
0.00574338 -0.01507734 0.00241874
-19.74589474 30.42026839 1.00474171
0.00025135 -0.00005560 -0.00019115
-0.00792384 -0.00751554 0.00227931
9.84821556 3.79876743 7.93676796
-0.00011346 0.00008570 -0.00001595
0.02721565 0.00912263 0.03646087
7.18615308 16.00890705 -11.67757769
0.00014701 0.00015211 0.00020121
0.00874957 0.02562603 -0.00840020
13.75292817 5.09694670 -1.20712564
-0.00026626 -0.00030726 -0.00015527
-0.04180529 0.02997922 -0.02385005
-6.05415645 11.46011435 -2.12501084
-0.00009911 0.00013040 0.00032437
-0.01190342 0.01339655 0.01933159
7.87156910 12.67987322 5.24334855
-0.00022834 -0.00034183 0.00023360
0.03813141 -0.03959236 -0.03070478
21.80106513 -12.00678838 -9.63811519
-0.00049490 0.00021445 0.00014830
-0.06063514 -0.01694979 0.00762580
19.84820887 -5.94856105 -1.20937347
-0.00015981 0.00011753 0.00040619
-0.00986404 -0.00322133 0.00574383
14.72107190 8.00919114 8.76946473
0.00029906 0.00008011 0.00018367
-0.00067759 0.00679146 -0.03273291
3.80019934 -13.78546768 16.41947320
0.00000568 -0.00002055 0.00013461
0.00831866 -0.01903316 -0.03114773
-2.56040203 -2.42919661 -13.70785558
-0.00014595 0.00006956 0.00011592
0.00081444 0.00824838 0.01155258
15.50318826 -7.35646641 -13.16099658
-0.00007052 0.00001012 -0.00001240
0.02922702 -0.02506911 0.00033467
9.68812742 -3.68286415 6.70544637
0.00034076 -0.00016204 0.00000612
-0.04592137 0.00575700 0.01438497
-19.40631053 1.40072953 24.89868749
0.00012579 0.00012617 -0.00005122
0.00744028 -0.00813531 -0.01453565
24.29564715 -1.22575749 -7.40213590
-0.00028384 0.00019970 -0.00008434
0.01197146 -0.01612761 0.01398692
11.64730524 -10.48299526 -11.24144504
-0.00008668 -0.00006365 -0.00029244
-0.01214548 0.01422215 0.03305079
-8.90751916 -10.79305101 16.47814013
0.00021943 0.00016832 0.00006671
0.01587012 0.00367342 -0.00503636
6.83835019 1.58963933 -27.88744773
0.00029588 0.00003216 -0.00010384
0.00641716 0.00799846 0.02229447
12.62166439 18.75367430 12.98313550
0.00003586 -0.00029273 -0.00033362
0.04452546 -0.00959807 -0.02226058
26.04379327 7.53668350 -11.08355441
-0.00013407 0.00007047 0.00007849
0.00175180 -0.00368937 0.01628181
5.22799748 -29.64396777 -4.73739812
-0.00016560 -0.00059426 -0.00056574
0.00195723 0.00206715 -0.00372288
4.24899454 -29.88791217 -2.03092624
-0.00018899 0.00013516 -0.00072211
-0.00673046 -0.00592744 0.00627471
-10.07594474 2.00555302 -8.89605740
0.00107716 0.00065133 0.00050154
-0.02987846 0.00101918 -0.00931327
-11.93232073 2.68509708 -11.16409559
0.00051895 -0.00037487 0.00009654
-0.00057571 -0.00260221 0.00749628
-37.00585313 2.86539557 2.34950763
0.00061447 0.00022550 0.00128694
0.01435040 -0.00718713 0.01067943
-37.53642871 0.43735218 3.87523452
-0.00012080 -0.00036646 0.00059260
-0.03079992 -0.02318300 0.01390963
-8.65628260 -4.27043709 1.34223270
0.00083807 0.00064267 0.00016237
-0.00403354 -0.00431648 0.00577123
-6.23620152 -4.82165715 2.94266784
-0.00010081 -0.00012381 -0.00046157
0.00020128 -0.00734188 0.00170015
2.74028402 -0.00431132 7.26827598
0.00037815 -0.00041715 0.00091896
0.00721587 -0.00236059 -0.03552116
1.60890932 1.80675825 9.30085120
-0.00017171 0.00059794 0.00044334
0.00449004 -0.00964523 -0.00361398
-30.24970735 -0.28819696 2.42928251
0.00072845 0.00012919 0.00032428
0.00453278 0.01684991 0.00716309
-32.77129071 0.88756359 2.85433305
0.00103611 -0.00012606 -0.00040151
0.00690545 0.01685841 0.00185729
15.62074679 12.14171470 -18.30171295
0.00027525 -0.00099674 -0.00026974
-0.05291951 -0.04231764 -0.01119758
18.23456233 12.17335044 -16.91573703
0.00053823 0.00001180 -0.00033957
-0.02182258 0.02094862 -0.02538452
-3.04826710 6.84819825 6.29076020
-0.00001347 -0.00047161 -0.00007564
0.00166206 -0.00556646 -0.00609417
-3.03386817 5.32438593 3.71014372
0.00005803 -0.00054480 -0.00037019
-0.00311473 0.00188533 0.03557969
5.77375347 16.51745173 -8.76714881
0.00008745 0.00005556 -0.00105833
0.00729217 0.00240159 0.01848946
7.32789286 18.24773918 -7.05292652
-0.00116134 -0.00041989 0.00018145
-0.02132437 -0.01815422 0.00698008
7.47694388 5.28069658 -22.74786287
-0.00052727 -0.00141841 0.00158791
0.01272083 0.01375220 -0.01575238
8.53600322 6.80210546 -20.35257398
-0.00017344 0.00037648 0.00026127
0.01386650 0.00796237 -0.00296234
19.21456451 21.08909474 -3.96792799
0.00015582 0.00027673 0.00061680
-0.00582335 -0.01855278 -0.02341194
19.54465800 19.56693067 -6.64993913
-0.00106882 -0.00041194 -0.00027940
0.01394202 0.00705717 -0.00527457
1.62567908 12.26734293 -20.47486494
-0.00072097 0.00071774 -0.00021471
0.01495247 -0.00094132 -0.00493702
0.19636426 14.42272357 -21.59910287
0.00061776 0.00078826 -0.00137289
0.02086917 0.00803548 -0.00246803
10.59333150 -6.75671119 -0.76105599
-0.00104694 -0.00058831 0.00080578
-0.00222900 -0.00299640 0.00509635
9.75579883 -3.90473638 -0.85718440
-0.00004675 -0.00032034 -0.00040199
0.00283506 -0.02987520 0.03451363
-18.29021993 -5.02774676 6.87699091
0.00055179 -0.00007488 -0.00043987
-0.00476541 -0.00004516 -0.00106741
-18.71479471 -5.23049481 4.00057284
0.00024237 0.00045655 -0.00035926
0.00045496 0.01180420 0.01005762
-14.35539634 -0.20688063 19.16590839
0.00025402 0.00046990 -0.00095362
-0.00450954 0.00371874 0.00110556
-14.07757266 -0.45217257 22.19876397
-0.00029206 -0.00029775 0.00017626
-0.00617965 -0.00263792 -0.01377636
1.31304671 3.26545098 -2.22635517
-0.00056985 -0.00138603 -0.00051849
0.00263813 -0.00906151 0.01125769
2.07413095 2.12164825 -4.81245101
0.00005841 0.00029132 -0.00021955
-0.00944987 0.01834366 0.00944779
21.96080597 -10.57638647 -6.24948320
-0.00003002 0.00002443 0.00011876
-0.03388381 -0.00310508 0.03795732
22.70763187 -9.75105154 -3.63420763
0.00080320 0.00013923 0.00032434
-0.02633995 -0.01529878 -0.00258668
4.56495392 -10.34707765 7.00341125
-0.00009841 -0.00016941 -0.00008882
0.04805999 -0.00246468 -0.02247362
3.06156449 -11.82173467 9.01151305
0.00070113 -0.00029984 0.00005810
0.00540001 0.00107247 0.00339086
-2.04303503 -3.20288484 -20.73484080
-0.00040645 -0.00031203 -0.00072134
0.00004336 -0.00408486 0.00263534
-3.46672582 -1.70771338 -18.67028342
0.00055889 -0.00061746 -0.00024110
0.00189458 -0.00366555 0.00478152
0.46275504 5.04100114 -9.74392008
-0.00024525 -0.00058445 -0.00011650
0.02320710 0.01946591 -0.00597297
-1.71319552 3.54256967 -9.13655524
0.00192957 0.00023636 0.00008171
0.01404915 -0.01085444 -0.02344806
-3.71784924 15.18017871 15.61201153
-0.00082385 0.00081564 -0.00074697
0.00979724 -0.00161437 0.00398206
-6.49714857 14.82534295 15.46635533
-0.00024214 0.00061011 -0.00112569
-0.01825550 -0.00185798 0.00359643
-6.77353904 1.97539043 -6.31840144
-0.00008344 -0.00007548 -0.00014375
-0.01012862 -0.00833567 0.01391309
-4.86488311 1.30357872 -8.33942044
0.00002679 0.00039975 0.00063158
-0.00308571 0.00001365 -0.00473570
-10.18004077 -0.64150540 -3.41851169
0.00059560 -0.00020658 -0.00074059
0.01298022 0.01173659 -0.01659483
-9.50713126 2.11468952 -2.77570073
-0.00050505 -0.00022696 0.00012261
0.01436844 -0.01436148 -0.03276913
2.97766948 29.13725071 5.01067454
0.00080116 -0.00024989 -0.00026779
-0.00619964 -0.01681884 -0.00328668
3.39507759 27.96885137 7.53744502
-0.00067295 -0.00107698 -0.00104427
-0.00299549 -0.00979851 0.00404609
8.18092435 -10.49217322 -1.06494319
-0.00022338 -0.00093189 0.00082305
0.03694192 -0.00391589 -0.01255730
10.90559712 -11.05877219 0.03812945
-0.00065301 0.00029447 0.00011365
-0.00322624 -0.00784032 0.00544978
-5.24454425 0.10252640 8.85275325
0.00072474 -0.00048689 -0.00059545
-0.00012384 -0.01809722 -0.00418914
-8.23203977 -0.04603530 9.23322876
-0.00006496 0.00043180 -0.00038133
-0.00909513 -0.02144297 -0.00205631
20.37955728 11.07458955 8.82445735
-0.00040406 0.00006597 0.00079538
0.00820744 -0.00500829 -0.01834625
22.11604167 11.22550247 6.38247661
0.00116716 -0.00061281 -0.00085127
-0.01024655 -0.00107139 0.01838330
-2.85725760 0.26333283 -22.14624879
-0.00020629 -0.00065060 -0.00200983
-0.00047356 0.00756958 -0.01789188
-5.01801771 1.11003498 -24.16306496
-0.00007174 0.00034959 -0.00004763
0.05629350 0.00256301 0.01191225
-12.64548655 9.62617792 9.79342230
0.00064621 0.00092055 0.00038416
0.00049830 0.00235536 -0.00924353
-13.56300695 9.72500660 6.96623298
0.00036769 -0.00075049 -0.00009828
-0.00410716 -0.00640470 0.02370640
-14.13765805 4.95651561 -4.66187861
-0.00104944 -0.00044712 0.00055381
0.00079356 0.00710907 0.00885827
-14.09727451 7.81592120 -3.72108851
0.00087747 0.00034399 -0.00080895
0.00983158 -0.03250354 0.00510470
-4.03951346 -15.59234536 20.18477702
-0.00031956 0.00008131 0.00031986
-0.02806509 -0.00268902 -0.00168802
-1.51949396 -16.67383181 19.52781419
0.00013643 -0.00046440 -0.00001834
-0.00466807 0.00685908 0.00131412
-5.77522933 5.90944385 -7.42649356
0.00136527 0.00064334 -0.00022192
0.00102099 0.00712285 -0.01273556
-7.38605088 8.26117268 -7.06843255
-0.00017352 -0.00017380 0.00009282
-0.00309959 0.01677480 0.00097967
-21.16522105 29.40256861 0.36376308
-0.00002974 -0.00157261 0.00077122
0.01644828 0.01123481 0.00654671
-18.19738789 29.40731526 1.07431927
0.00044047 -0.00017105 -0.00130500
-0.00763858 0.00026993 -0.00428649
9.37988369 2.81104732 6.56825269
0.00036719 0.00037979 0.00083731
-0.02001791 -0.01977434 -0.03553596
9.10530772 5.45984027 7.91469665
0.00014291 -0.00074542 -0.00067483
-0.00562337 0.01273988 -0.00315435
8.13598155 17.50117492 -12.30745492
-0.00074310 0.00041979 -0.00020089
-0.01118144 -0.01455195 0.00907018
8.44938115 14.73901785 -11.97171132
0.00004609 0.00101905 -0.00071531
0.00052596 -0.01408006 0.00061419
12.02622478 5.98315801 -1.21063027
-0.00015991 -0.00030296 0.00073163
0.04439869 -0.02050818 -0.00390989
13.76944008 4.16352290 0.31885705
-0.00064553 -0.00043326 -0.00009458
0.00006916 -0.01411183 0.02454342
-4.27711591 11.20686752 -2.01701463
0.00022515 -0.00012437 -0.00037143
0.01656457 -0.01342062 0.00367014
-7.05855412 10.70666003 -0.76836102
-0.00158072 0.00041636 0.00041988
0.01799804 0.00038484 -0.00589277
7.34912735 14.23763676 4.61045411
0.00009681 0.00045662 0.00036462
-0.01056534 0.03342566 -0.01119465
9.14386114 12.03253333 3.88115029
0.00050692 0.00000968 -0.00019827
-0.02899772 0.01203003 0.03750502
20.43990703 -13.09842536 -8.81765681
-0.00003427 -0.00060787 0.00042676
0.02152362 0.02740912 -0.01861659
23.24041759 -12.36271386 -8.66515518
0.00027509 -0.00034178 -0.00015141
0.02842709 -0.01008809 0.00947078
19.99508822 -4.86144736 -2.71039870
0.00040039 0.00022192 0.00024760
-0.01134617 -0.00692549 0.00301456
18.26966880 -6.93200166 -1.33344940
-0.00071806 -0.00024861 0.00047582
0.01600710 0.01332055 -0.00334379
13.87049577 9.61833920 8.61690256
0.00036124 0.00018500 0.00056607
0.00250372 -0.01163671 0.00667978
15.03557398 7.72064483 10.50305464
0.00039920 -0.00058067 0.00023140
0.00462616 0.00088058 0.03164046
2.99318243 -15.23375589 17.24108171
0.00042006 0.00054999 -0.00050936
-0.00077273 0.01562732 0.00993280
3.72455670 -12.14433966 17.17775879
-0.00099248 0.00024317 -0.00049528
-0.00628007 -0.00061260 0.01902750
-2.73288982 -3.88845337 -12.60081797
0.00037340 0.00059876 0.00008137
0.00374182 0.01091605 -0.00576662
-1.12060426 -1.36564542 -13.14919380
0.00106958 -0.00020796 -0.00017777
-0.00422255 -0.01781463 -0.00767227
16.22213505 -7.75009788 -14.88605162
0.00013581 0.00048811 -0.00027270
-0.01524062 0.00620021 0.01666031
16.65591766 -8.28216859 -11.97731309
0.00050350 -0.00071007 -0.00059024
-0.01836387 0.02020829 -0.01290204
7.79677309 -3.86897468 6.40085525
-0.00000484 0.00036522 -0.00094832
0.04089012 0.00508591 -0.00731963
10.55049910 -4.11174825 5.19121195
-0.00019037 -0.00092486 -0.00058603
0.00424618 -0.00523070 -0.01461804
-21.12530178 0.85986020 25.12276476
-0.00072672 -0.00094417 0.00031388
-0.00150174 -0.00107301 0.00421855
-19.11389750 2.93064619 25.84851810
-0.00013369 -0.00040623 0.00013484
-0.00988163 0.00379342 0.00801781
25.38081537 -2.79353792 -7.21896190
0.00014382 -0.00009375 0.00033872
-0.01515170 0.02183510 -0.00952575
23.74889184 -1.00358444 -9.13071426
-0.00146837 0.00057341 0.00003924
0.01115378 -0.00197274 -0.00108359
11.68047173 -9.92281391 -9.44644627
0.00036379 -0.00013887 -0.00052615
0.00564143 -0.01375468 -0.01619641
12.89154400 -9.42665964 -12.05235425
0.00046015 -0.00020528 0.00020980
0.00792989 0.01301807 -0.00689289
-7.36809632 -10.57944216 17.67884031
0.00036816 -0.00024352 -0.00084337
-0.03093737 -0.00855244 -0.02209062
-10.24715663 -11.13088266 17.65474647
-0.00024951 0.00119092 0.00003130
-0.00767939 0.00307823 0.00492941
7.98056513 1.95698828 -29.25969085
0.00044970 -0.00074594 0.00015432
0.01439628 -0.00482483 -0.01855412
5.43920751 0.70598549 -28.58175217
-0.00048643 -0.00018482 0.00089649
-0.01645398 -0.00724580 -0.01129188
14.35433687 19.29833002 13.54004731
-0.00043493 0.00035199 0.00048132
-0.03368762 -0.01076741 -0.00550902
13.07790775 17.78026080 11.41057636
-0.00012051 0.00010649 0.00011430
-0.00941682 0.01567345 0.02790548
27.77905625 7.67518343 -11.65236656
0.00046121 0.00013012 -0.00001802
0.00633578 0.00285179 -0.00108059
26.11535565 7.64801428 -9.20155517
-0.00067063 -0.00016935 -0.00019139
0.00457274 0.00090550 -0.01723093
-7.90393275 4.69295184 6.09941918
0.00012797 0.00009730 0.00007131
-0.00042922 -0.00686162 0.00291904
-10.44897445 9.18153316 2.93388116
0.00018702 -0.00007646 0.00014091
0.01242998 -0.00437039 0.01272294
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.07600646
0.27868281
371.33087484
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0601017442
ExchangeOperator: pair fraction: ispin=0: 0.1485992428
ExchangeOperator: bisection time: 1.516 s
total exchange = -52.2998696039 (a.u.)
total exchange computation time: 2.9070079327 s
-153.8833707578
-931.35125297
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0601017442
ExchangeOperator: pair fraction: ispin=0: 0.1485992428
ExchangeOperator: bisection time: 1.514 s
total exchange = -52.3002392801 (a.u.)
total exchange computation time: 2.9060859680 s
-153.8807448404
Anderson extrapolation: theta=1.3693656941 (1.3693656941)
-931.35148282
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0601017442
ExchangeOperator: pair fraction: ispin=0: 0.1485992428
ExchangeOperator: bisection time: 1.513 s
total exchange = -52.3006841786 (a.u.)
total exchange computation time: 2.9049680233 s
-153.8775265458
Anderson extrapolation: theta=0.0598023173 (0.0598023173)
-931.35162483
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0601017442
ExchangeOperator: pair fraction: ispin=0: 0.1485992428
ExchangeOperator: bisection time: 1.513 s
total exchange = -52.3006536977 (a.u.)
total exchange computation time: 2.9064300060 s
-153.8777315214
Anderson extrapolation: theta=2.2131421511 (2.0000000000)
-931.35163181
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0601017442
ExchangeOperator: pair fraction: ispin=0: 0.1485992428
ExchangeOperator: bisection time: 1.514 s
total exchange = -52.3005635104 (a.u.)
total exchange computation time: 2.9076278210 s
-153.8782742560
Anderson extrapolation: theta=0.3485640080 (0.3485640080)
-931.35164064
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0601017442
ExchangeOperator: pair fraction: ispin=0: 0.1485992428
ExchangeOperator: bisection time: 1.514 s
total exchange = -52.3005197966 (a.u.)
total exchange computation time: 2.9059929848 s
-153.8784751496
Anderson extrapolation: theta=1.2164067943 (1.2164067943)
-931.35164286
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0601017442
ExchangeOperator: pair fraction: ispin=0: 0.1485992428
ExchangeOperator: bisection time: 1.513 s
total exchange = -52.3004725997 (a.u.)
total exchange computation time: 2.9058921337 s
-153.8786151718
Anderson extrapolation: theta=0.4249793753 (0.4249793753)
-931.35164472
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0601017442
ExchangeOperator: pair fraction: ispin=0: 0.1485992428
ExchangeOperator: bisection time: 1.514 s
total exchange = -52.3004624893 (a.u.)
total exchange computation time: 2.9056589603 s
-153.8785613998
Anderson extrapolation: theta=0.8569873388 (0.8569873388)
-931.35164530
19.509249 -16.410214 -167.601025
562.556860 1074.932106 -404.959527
582.066109 1058.521892 -572.560553
1336.822777
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0601017442
ExchangeOperator: pair fraction: ispin=0: 0.1485992428
ExchangeOperator: bisection time: 1.513 s
total exchange = -52.3004632585 (a.u.)
total exchange computation time: 2.8266530037 s
677.75933372
-1081.61455429
89.89993369
-390.48944829
-174.60644714
77.05896152
551.60419304
0.00000000
-931.35164557
4.58115232 -30.87412977 -3.52640618
-0.00007028 -0.00012097 0.00017768
0.00336834 -0.00389628 -0.00765391
-11.88111103 2.07316318 -9.39985497
0.00022114 0.00007896 0.00015769
0.03022364 0.00473252 0.00450438
-36.20563624 1.31256883 3.12359908
-0.00002333 0.00035332 -0.00011888
0.01675791 0.01664738 -0.01497655
-7.48436863 -3.55132631 2.58554569
-0.00001430 0.00016300 0.00008277
0.00231379 0.00721915 -0.00133683
2.26325147 0.10787368 8.96021343
0.00004486 -0.00007316 0.00000497
-0.02095608 0.01240523 0.04925441
-30.99051160 1.43216805 2.69127077
-0.00031839 0.00015318 -0.00015561
-0.00124775 -0.02691392 -0.00479233
16.92815445 13.22177905 -18.03528483
-0.00013080 -0.00003253 -0.00048165
0.07494722 0.01884112 0.03855435
-3.42496018 5.19180669 5.56167206
0.00001595 -0.00012970 -0.00001252
0.00198284 0.00274363 -0.03664732
5.80515672 17.13026801 -6.95421442
-0.00001938 -0.00012447 0.00008086
0.01090682 0.01256326 -0.03188017
7.25154741 5.69828378 -20.98862102
0.00018918 0.00015828 -0.00012146
-0.03678931 -0.01250259 0.03455989
18.61345786 19.64243247 -5.12082852
0.00004663 0.00000383 -0.00016224
-0.00290778 0.01100527 0.03433268
1.96209490 13.93443105 -21.17545907
0.00002935 0.00002692 -0.00013420
-0.02943371 0.00268656 0.00723849
10.34570144 -5.34427629 0.39552418
0.00023585 0.00015850 0.00020501
-0.00274651 0.02991947 -0.04093633
-18.22849272 -4.03584720 5.34427211
0.00043415 -0.00045459 0.00002481
0.00790573 -0.01237199 -0.00873514
-14.24518325 -1.38314229 20.59045646
-0.00015000 0.00010334 0.00030825
0.01127021 0.00178142 0.00230222
1.59706515 3.71882674 -3.95004451
0.00001015 0.00017362 -0.00023886
0.00810877 -0.01103846 -0.01848051
21.23618900 -10.64996289 -4.45156997
-0.00013286 -0.00006875 -0.00016550
0.05913609 0.03144604 -0.02500454
3.07227438 -10.36518009 7.89328908
-0.00002246 -0.00011177 -0.00023662
-0.05162821 0.00005549 0.01882759
-1.86565723 -1.82733724 -19.52531212
-0.00010391 0.00016284 -0.00014772
0.00085256 0.00209950 -0.01683339
-0.29566228 3.55243560 -10.38086904
-0.00050761 0.00016548 -0.00027889
-0.03251101 -0.00854362 0.02298361
-5.00924887 14.64282171 14.48043969
0.00011789 0.00012163 0.00008399
0.00532333 -0.00053667 -0.02050568
-5.43679726 2.68934531 -7.31328612
0.00022720 0.00023444 0.00015506
0.00885949 0.00075180 -0.00181610
-9.19899756 0.77607736 -4.13769994
-0.00016316 0.00021572 0.00027194
-0.01809746 0.00836014 0.04343154
2.90988017 27.47296548 5.84155546
-0.00006223 0.00004141 0.00006677
0.00555769 0.02957237 -0.00669580
10.01320223 -10.75854527 -1.53638285
-0.00011736 -0.00029692 0.00013446
-0.04859710 0.02026114 -0.01020001
-6.78362365 0.98838679 9.24232760
-0.00009443 0.00010396 0.00013605
0.01630924 0.03443683 0.00257547
20.37403306 10.82256384 6.97355451
-0.00042142 -0.00007169 -0.00008916
0.00744834 0.00497608 0.00454621
-3.06885159 1.09935469 -23.83668924
0.00001345 -0.00006947 0.00006048
-0.05906147 -0.00824251 -0.00366490
-13.77545962 8.80405978 8.57964271
0.00037541 0.00000059 0.00012374
-0.00088446 -0.00698250 -0.00709655
-13.49673724 6.06255604 -3.32165561
-0.00021582 -0.00006461 -0.00016696
-0.01070514 0.02363804 -0.02312770
-2.32156930 -15.38026744 20.56447689
-0.00022534 -0.00009812 -0.00009790
0.02753240 -0.00806230 0.00162396
-6.00064554 7.63948038 -8.06806727
-0.00004567 0.00028261 0.00041329
0.00742595 -0.01290893 -0.00005787
-19.74215508 30.41940542 1.00188331
0.00024662 -0.00006054 -0.00019039
-0.01044938 -0.01171107 0.00066678
9.84661870 3.80008808 7.93666929
-0.00009832 0.00009020 0.00000443
0.03166242 0.00837929 0.04279264
7.18839200 16.01128748 -11.67459197
0.00015063 0.00016590 0.00019706
0.00532150 0.02799786 -0.00771532
13.74877300 5.09245342 -1.20954663
-0.00028764 -0.00029216 -0.00016690
-0.04133929 0.02873672 -0.02140223
-6.05568899 11.46212196 -2.12007070
-0.00010540 0.00013692 0.00033489
-0.01257521 0.01196861 0.02158103
7.86829108 12.67459299 5.24673411
-0.00020883 -0.00036088 0.00021682
0.03774955 -0.03445810 -0.03452896
21.79340781 -12.00363699 -9.63586123
-0.00052491 0.00020521 0.00015319
-0.05608043 -0.01900276 0.01138373
19.84577370 -5.94681055 -1.20325852
-0.00016557 0.00011563 0.00040889
-0.01252634 -0.00416673 0.00475995
14.72555517 8.01041894 8.77209349
0.00029883 0.00008348 0.00016733
-0.00022254 0.00630970 -0.03078622
3.80031662 -13.78584930 16.42137220
0.00001070 -0.00002892 0.00011784
0.01120542 -0.01352300 -0.03408285
-2.56258811 -2.42812133 -13.70607224
-0.00014449 0.00007517 0.00012165
0.00487284 0.01353950 0.01074551
15.50224316 -7.35641131 -13.16118136
-0.00005504 -0.00000310 -0.00001225
0.03099202 -0.02633153 0.00025469
9.69306168 -3.68527257 6.70559363
0.00031708 -0.00015938 0.00001227
-0.04616217 0.00459782 0.00953269
-19.40439492 1.40259067 24.89786312
0.00012730 0.00012059 -0.00005884
-0.00159466 -0.01356654 -0.01509841
24.29143578 -1.22282426 -7.40334711
-0.00027751 0.00019118 -0.00007734
0.01262797 -0.01697416 0.01323613
11.64595826 -10.48389518 -11.24570408
-0.00009261 -0.00005621 -0.00027582
-0.01093970 0.01471593 0.03155547
-8.90416652 -10.79051200 16.47912129
0.00022690 0.00017011 0.00006377
0.01320463 0.00328034 -0.00638638
6.84281315 1.59015253 -27.88891939
0.00029832 0.00003575 -0.00009214
0.00305567 0.00597462 0.02322775
12.62237409 18.74924628 12.97804533
0.00005824 -0.00029709 -0.00034408
0.04248056 -0.00735960 -0.01841595
26.04178900 7.53772639 -11.08231428
-0.00013225 0.00006862 0.00008594
0.00532837 -0.00351719 0.01269986
5.22557345 -29.65281829 -4.74599834
-0.00015834 -0.00058695 -0.00057899
0.00159886 0.00150768 -0.00275920
4.24595340 -29.88606642 -2.04156568
-0.00021768 0.00011603 -0.00068901
-0.00731208 -0.00343822 0.00993083
-10.06070298 2.01535423 -8.88881967
0.00094474 0.00065562 0.00046053
-0.03494075 0.00107888 -0.01076379
-11.92455408 2.67939429 -11.16241776
0.00051616 -0.00038460 0.00012626
-0.00079080 -0.00215892 0.00705319
-36.99619632 2.86855778 2.36913904
0.00066738 0.00020211 0.00132636
0.01154852 -0.00426003 0.00861494
-37.53918445 0.43114483 3.88454979
-0.00023479 -0.00045210 0.00064201
-0.02499880 -0.01873471 0.01027707
-8.64383518 -4.26092936 1.34484516
0.00081436 0.00062153 0.00017851
-0.00757111 -0.00602867 0.00212920
-6.23770753 -4.82373924 2.93579638
-0.00009990 -0.00015300 -0.00045400
0.00024467 -0.00694601 0.00200378
2.74617746 -0.01064092 7.28097191
0.00041149 -0.00042678 0.00076020
0.00910053 -0.00235077 -0.04219165
1.60647119 1.81543172 9.30739051
-0.00014952 0.00054859 0.00042563
0.00637642 -0.01451127 -0.00505120
-30.23864174 -0.28574284 2.43436622
0.00074461 0.00020164 0.00035383
0.00337963 0.01861943 0.00729996
-32.75553740 0.88618935 2.84836733
0.00104846 -0.00006177 -0.00039252
-0.00085989 0.01460783 0.00254320
15.62325391 12.12546691 -18.30610212
0.00006602 -0.00116461 -0.00031394
-0.04950014 -0.03985733 -0.01043951
18.24196705 12.17416935 -16.92160842
0.00044756 0.00009858 -0.00044382
-0.02255897 0.02153198 -0.02564518
-3.04841824 6.84095348 6.28943888
-0.00000546 -0.00048933 -0.00009902
0.00226179 -0.00310589 -0.00535115
-3.03309311 5.31627171 3.70568112
0.00004473 -0.00053651 -0.00022131
-0.00339738 0.00217116 0.03729794
5.77528869 16.51835876 -8.78245712
0.00011757 0.00006792 -0.00097329
0.00745130 0.00364544 0.02313689
7.30981926 18.24088455 -7.04999084
-0.00123600 -0.00048533 0.00020982
-0.01522039 -0.01387810 0.00690548
7.46942465 5.25984185 -22.72452696
-0.00047146 -0.00136542 0.00150489
0.01459901 0.01218625 -0.02488519
8.53382654 6.80799672 -20.34874573
-0.00011671 0.00040836 0.00024662
0.01390159 0.00764239 -0.00420576
19.21672332 21.09267719 -3.95939338
0.00013085 0.00019735 0.00051621
-0.00639697 -0.02030243 -0.02582562
19.52905288 19.56096777 -6.65429179
-0.00100736 -0.00038248 -0.00030718
0.01614628 0.00736741 -0.00832493
1.61532270 12.27808013 -20.47823689
-0.00066168 0.00070688 -0.00023184
0.01407140 -0.00437199 -0.00344557
0.20627020 14.43479371 -21.61977182
0.00070125 0.00082053 -0.00138223
0.01999716 0.00775867 -0.00210638
10.57755910 -6.76562761 -0.74881304
-0.00105556 -0.00059998 0.00082690
-0.00199280 -0.00271948 0.00523870
9.75518444 -3.91045699 -0.86215657
-0.00003490 -0.00044151 -0.00025992
0.00296619 -0.02943653 0.03502576
-18.28208914 -5.02887132 6.87036011
0.00053164 -0.00008089 -0.00043714
-0.00509632 -0.00289592 0.00240281
-18.71114529 -5.22328488 3.99549221
0.00024331 0.00050158 -0.00031989
0.00000825 0.01023956 0.00921295
-14.35172426 -0.19971810 19.15163804
0.00023631 0.00047605 -0.00093618
-0.00415848 -0.00070894 0.00743085
-14.08214288 -0.45671960 22.20098569
-0.00031670 -0.00030517 0.00012310
-0.00588517 -0.00099426 -0.01224418
1.30457979 3.24438286 -2.23378757
-0.00055893 -0.00142035 -0.00047558
0.00270987 -0.00773866 0.00974824
2.07471755 2.12658020 -4.81545481
0.00002035 0.00036501 -0.00018347
-0.00918341 0.01772613 0.00821466
21.95931730 -10.57611514 -6.24653874
-0.00016760 0.00001186 0.00027052
-0.03345824 -0.00305031 0.03633067
22.71887276 -9.74943188 -3.62942182
0.00068694 0.00007153 0.00030871
-0.03056883 -0.01783904 -0.00506137
4.56495051 -10.34969432 7.00139036
0.00009909 -0.00017885 -0.00018185
0.04861891 -0.00215753 -0.02306857
3.07224696 -11.82619943 9.01248843
0.00072209 -0.00029185 0.00006949
0.00486024 0.00284129 0.00218812
-2.04913052 -3.20769054 -20.74558009
-0.00040437 -0.00032096 -0.00070353
0.00097760 -0.00028380 0.00607851
-3.45828434 -1.71708766 -18.67375337
0.00055689 -0.00063085 -0.00021587
-0.00287717 -0.00288910 0.00756988
0.45978738 5.03283094 -9.74585054
-0.00014484 -0.00049812 -0.00014008
0.02594428 0.02279332 -0.00557026
-1.68382147 3.54578245 -9.13604813
0.00196821 0.00018911 -0.00000112
0.00486669 -0.01227352 -0.01709601
-3.72990681 15.19236391 15.60092902
-0.00077224 0.00081438 -0.00071962
0.01546647 0.00099671 0.00940389
-6.50134004 14.83443761 15.44958014
-0.00032021 0.00060317 -0.00110812
-0.01996097 -0.00153770 0.00500342
-6.77510104 1.97400285 -6.32013129
-0.00012252 -0.00010698 -0.00008819
-0.00900000 -0.00708457 0.01328198
-4.86457587 1.30957532 -8.33009187
0.00001763 0.00039443 0.00060730
-0.00139668 -0.00261664 -0.00714813
-10.17070900 -0.64424445 -3.43012900
0.00064490 -0.00016295 -0.00080502
0.01115119 0.00962282 -0.01494446
-9.51426667 2.11084504 -2.77486577
-0.00044723 -0.00028304 -0.00000838
0.01393536 -0.01309127 -0.03134840
2.98949695 29.13298705 5.00655701
0.00077584 -0.00031734 -0.00028120
-0.00619527 -0.01619933 -0.00327734
3.38489161 27.95239637 7.52190497
-0.00067902 -0.00111005 -0.00100649
0.00002129 -0.00638597 0.01444442
8.17870569 -10.50627150 -1.05298229
-0.00007199 -0.00094756 0.00076965
0.03716240 -0.00375682 -0.01358103
10.89570310 -11.05459540 0.04000123
-0.00066189 0.00026123 0.00013970
-0.00112098 -0.00843146 0.00730157
-5.23367701 0.09466852 8.84369316
0.00070926 -0.00055236 -0.00060847
-0.00745244 -0.01395121 -0.00218326
-8.23329287 -0.04021534 9.22744577
-0.00010493 0.00034187 -0.00039005
-0.01046964 -0.02257932 -0.00221024
20.37374788 11.07542565 8.83582591
-0.00036935 0.00004418 0.00070906
0.00878494 -0.00565787 -0.02391075
22.13323503 11.21627755 6.37027086
0.00110821 -0.00062032 -0.00076826
-0.01860691 -0.00260838 0.02225251
-2.86036646 0.25380585 -22.17694446
-0.00020607 -0.00062709 -0.00206434
0.00058274 0.00393650 -0.00879459
-5.01736883 1.11535735 -24.16341433
0.00015825 0.00035994 0.00000072
0.05628726 0.00250186 0.01175491
-12.63577811 9.64005834 9.79890149
0.00064262 0.00092586 0.00033988
-0.00225472 0.00024324 -0.01243508
-13.55761743 9.71355296 6.96548519
0.00035139 -0.00077481 -0.00000358
-0.00387366 -0.00549983 0.02265101
-14.15337532 4.95002659 -4.65330005
-0.00104599 -0.00041748 0.00058917
0.00089589 0.00740191 0.00845093
-14.08381115 7.82008508 -3.73306637
0.00091708 0.00020899 -0.00078737
0.00955522 -0.03358249 0.00545765
-4.04516685 -15.59120809 20.18952316
-0.00043330 0.00006973 0.00031259
-0.02761303 -0.00298244 -0.00186782
-1.51759054 -16.68058763 19.52757938
0.00011401 -0.00043248 -0.00001037
-0.00630616 0.00876510 0.00258808
-5.75471897 5.91931219 -7.43021264
0.00136810 0.00066803 -0.00027086
0.00036489 0.00496421 -0.01122139
-7.38874865 8.25907970 -7.06701022
-0.00018855 -0.00010573 0.00009920
-0.00425985 0.01654588 0.00214224
-21.16516311 29.37932370 0.37553202
0.00004344 -0.00152023 0.00080035
0.01937389 0.01440448 0.00771341
-18.19101488 29.40475780 1.05461292
0.00040799 -0.00016786 -0.00132144
-0.00826002 0.00129105 -0.00375934
9.38477812 2.81613830 6.57972343
0.00028137 0.00028812 0.00067844
-0.02198922 -0.02510170 -0.04223106
9.10727906 5.44904942 7.90447748
0.00011507 -0.00068164 -0.00068680
-0.00800685 0.01847994 -0.00270088
8.12449243 17.50702580 -12.31019033
-0.00078783 0.00036208 -0.00016415
-0.01071266 -0.01369661 0.00891298
8.45008858 14.75387221 -11.98242218
0.00005380 0.00095517 -0.00071382
0.00324994 -0.01719414 0.00011542
12.02518667 5.97798521 -1.19977557
0.00001946 -0.00038506 0.00071365
0.04340457 -0.01967914 -0.00489225
13.75975927 4.15659151 0.31819046
-0.00064402 -0.00048985 0.00000303
0.00066895 -0.01358954 0.02323584
-4.27323109 11.20459065 -2.02247355
0.00028630 -0.00017950 -0.00035467
0.01336833 -0.01356456 0.00453262
-7.08171341 10.71291716 -0.76224340
-0.00149902 0.00042120 0.00038901
0.02199382 0.00198628 -0.00921938
7.35025574 14.24551034 4.61558037
0.00005754 0.00058203 0.00032341
-0.00865521 0.02796415 -0.00897600
9.15057637 12.03304722 3.87932550
0.00038529 0.00005955 -0.00004168
-0.03054132 0.01238167 0.03914516
20.44005252 -13.10670354 -8.81182584
0.00005407 -0.00049407 0.00034974
0.02171742 0.02829803 -0.01908711
23.24541508 -12.36814974 -8.66713618
0.00038162 -0.00038024 -0.00011957
0.02372020 -0.00873875 0.00611566
20.00074642 -4.85833072 -2.70659238
0.00035273 0.00019112 0.00026180
-0.01198540 -0.00815375 0.00393849
18.25938845 -6.93532268 -1.32641453
-0.00064577 -0.00018997 0.00046193
0.01937599 0.01538717 -0.00345469
13.87599104 9.62075755 8.62559833
0.00037154 0.00013717 0.00059358
0.00254142 -0.01177406 0.00678600
15.04170371 7.71196179 10.50749522
0.00041718 -0.00057605 0.00035641
0.00417398 0.00138225 0.02955141
2.99945965 -15.22502720 17.23374566
0.00041086 0.00060432 -0.00046243
-0.00372964 0.01097016 0.01304151
3.70947704 -12.14071081 17.17091266
-0.00101803 0.00023929 -0.00041763
-0.00622794 -0.00128701 0.01898290
-2.72717421 -3.87913751 -12.59977412
0.00038710 0.00063637 0.00006221
0.00296394 0.00749656 -0.00361369
-1.10468999 -1.36931076 -13.15209546
0.00104576 -0.00028410 -0.00021217
-0.00743587 -0.01945566 -0.00916920
16.22370519 -7.74258631 -14.88963158
0.00007225 0.00051335 -0.00020357
-0.01587404 0.00615833 0.01717634
16.66290751 -8.29220037 -11.98656203
0.00042611 -0.00062530 -0.00064414
-0.01952356 0.02128610 -0.01348143
7.79795354 -3.86334047 6.38640612
0.00016491 0.00038626 -0.00097545
0.04220030 0.00521119 -0.00595826
10.54777360 -4.12578138 5.18197352
-0.00017537 -0.00094409 -0.00063869
0.00310018 -0.00418209 -0.01115697
-21.13624864 0.84566479 25.12760228
-0.00071534 -0.00094263 0.00032895
0.00707375 0.00182390 0.00315860
-19.11620571 2.92466906 25.85078643
-0.00017360 -0.00038587 0.00017066
-0.00965048 0.00617204 0.00951456
25.38250831 -2.79427505 -7.21417299
0.00007870 -0.00000112 0.00029739
-0.01672501 0.02350583 -0.01070403
23.72720800 -0.99504374 -9.13015880
-0.00142018 0.00056328 0.00003905
0.01243775 -0.00298803 0.00098985
11.68610144 -9.92531848 -9.45483476
0.00038568 -0.00019460 -0.00058819
0.00507409 -0.01352591 -0.01417645
12.89868917 -9.42933997 -12.04941852
0.00049147 -0.00015312 0.00018078
0.00740500 0.01251794 -0.00731243
-7.36352192 -10.58335709 17.66551289
0.00024403 -0.00027753 -0.00092945
-0.02982507 -0.00809511 -0.02004840
-10.25113462 -11.11292448 17.65536707
-0.00027774 0.00120377 0.00005037
-0.00613962 0.00321139 0.00440344
7.98775182 1.94565132 -29.25794465
0.00050946 -0.00076523 0.00007529
0.01485597 -0.00461933 -0.02013043
5.43140679 0.70299114 -28.56865087
-0.00054768 -0.00021092 0.00085172
-0.01352514 -0.00552771 -0.01062209
14.34678064 19.30327992 13.54709829
-0.00057153 0.00030730 0.00045726
-0.03318108 -0.01110762 -0.00626950
13.07581160 17.78233839 11.41314602
-0.00015587 0.00016676 0.00022200
-0.00789569 0.01382926 0.02481103
27.78616860 7.67722255 -11.65267003
0.00047884 0.00014103 -0.00001934
0.00229011 0.00248884 0.00043501
26.10543633 7.64550172 -9.20495401
-0.00065047 -0.00016526 -0.00025803
0.00529367 0.00109772 -0.01539221
-7.90201430 4.69439290 6.10049664
0.00012782 0.00009486 0.00007236
-0.00042505 -0.00675952 0.00293609
-10.44614758 9.18037867 2.93601694
0.00018988 -0.00007747 0.00014386
0.01226204 -0.00430065 0.01267335
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.07597994
0.27566563
367.31063713
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0605377907
ExchangeOperator: pair fraction: ispin=0: 0.1501135749
ExchangeOperator: bisection time: 1.514 s
total exchange = -52.3037066647 (a.u.)
total exchange computation time: 2.9588718414 s
-153.8957670035
-931.34888458
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0605377907
ExchangeOperator: pair fraction: ispin=0: 0.1501135749
ExchangeOperator: bisection time: 1.514 s
total exchange = -52.3040600395 (a.u.)
total exchange computation time: 2.9547829628 s
-153.8935020797
Anderson extrapolation: theta=1.3624650550 (1.3624650550)
-931.34911492
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0605377907
ExchangeOperator: pair fraction: ispin=0: 0.1501135749
ExchangeOperator: bisection time: 1.514 s
total exchange = -52.3044971456 (a.u.)
total exchange computation time: 2.9526760578 s
-153.8907204014
Anderson extrapolation: theta=0.0571382879 (0.0571382879)
-931.34925703
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0605377907
ExchangeOperator: pair fraction: ispin=0: 0.1501135749
ExchangeOperator: bisection time: 1.515 s
total exchange = -52.3044779986 (a.u.)
total exchange computation time: 2.9539339542 s
-153.8909032779
Anderson extrapolation: theta=2.1943285176 (2.0000000000)
-931.34926416
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0605377907
ExchangeOperator: pair fraction: ispin=0: 0.1501135749
ExchangeOperator: bisection time: 1.515 s
total exchange = -52.3044139307 (a.u.)
total exchange computation time: 2.9541859627 s
-153.8913939013
Anderson extrapolation: theta=0.3582305445 (0.3582305445)
-931.34927385
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0605377907
ExchangeOperator: pair fraction: ispin=0: 0.1501135749
ExchangeOperator: bisection time: 1.514 s
total exchange = -52.3043784540 (a.u.)
total exchange computation time: 2.9541449547 s
-153.8915893938
Anderson extrapolation: theta=1.3710423258 (1.3710423258)
-931.34927675
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0605377907
ExchangeOperator: pair fraction: ispin=0: 0.1501135749
ExchangeOperator: bisection time: 1.515 s
total exchange = -52.3043332389 (a.u.)
total exchange computation time: 2.9526159763 s
-153.8917642651
Anderson extrapolation: theta=0.4522909706 (0.4522909706)
-931.34927982
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0605377907
ExchangeOperator: pair fraction: ispin=0: 0.1501135749
ExchangeOperator: bisection time: 1.518 s
total exchange = -52.3043198388 (a.u.)
total exchange computation time: 2.9518809319 s
-153.8917402914
Anderson extrapolation: theta=0.9167726308 (0.9167726308)
-931.34928094
19.594479 -16.447432 -167.611133
562.549240 1074.904464 -405.008430
582.143719 1058.457032 -572.619563
1336.830491
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0605377907
ExchangeOperator: pair fraction: ispin=0: 0.1501135749
ExchangeOperator: bisection time: 1.516 s
total exchange = -52.3043142043 (a.u.)
total exchange computation time: 2.9526879787 s
677.82173540
-1081.74068915
89.89137532
-390.40160591
-174.61578311
77.12878846
551.60419304
0.00000000
-931.34928166
4.58011115 -30.87595939 -3.52377047
-0.00006829 -0.00012341 0.00017256
0.00437834 -0.00559155 -0.01226022
-11.87767740 2.07436584 -9.39747228
0.00023777 0.00008129 0.00016046
0.03446070 0.00432428 0.00629066
-36.20592162 1.31793290 3.12175818
-0.00001567 0.00035957 -0.00012490
0.01304698 0.00765255 -0.00845142
-7.48457420 -3.54885347 2.58678216
-0.00001198 0.00016701 0.00008303
0.00672585 0.00838800 0.00233417
2.26384346 0.10682417 8.96047790
0.00003322 -0.00006575 0.00003189
-0.02427441 0.01641217 0.05543132
-30.99529226 1.43436191 2.68891813
-0.00031655 0.00013959 -0.00015827
0.00839688 -0.02591133 -0.00556436
16.92648154 13.22136372 -18.04236091
-0.00009363 -0.00002402 -0.00046207
0.06960541 0.01425093 0.03760353
-3.42471333 5.18987171 5.56134288
0.00001683 -0.00012902 -0.00003178
0.00144633 -0.00008066 -0.03822828
5.80490814 17.12844939 -6.95312455
-0.00001559 -0.00011955 0.00006346
0.00382680 0.00658601 -0.03578580
7.25424319 5.70060982 -20.99030956
0.00016995 0.00015264 -0.00010103
-0.03800817 -0.00944264 0.04486710
18.61414616 19.64253242 -5.12312973
0.00004475 0.00000979 -0.00014341
-0.00440883 0.01217377 0.03891773
1.96242168 13.93484524 -21.17744419
0.00001472 0.00002928 -0.00013093
-0.02746631 0.00647945 0.00548368
10.34922863 -5.34178341 0.39844144
0.00023434 0.00017358 0.00018392
-0.00312633 0.02874273 -0.04107564
-18.22195000 -4.04271371 5.34461061
0.00043847 -0.00045973 0.00001972
0.00890296 -0.00762363 -0.01108526
-14.24738985 -1.38158526 20.59508904
-0.00014439 0.00010486 0.00030734
0.01058164 0.00410068 -0.00581373
1.59724872 3.72138853 -3.95369874
0.00001412 0.00016777 -0.00024744
0.00731918 -0.01171559 -0.01488132
21.23442426 -10.65087291 -4.45414887
-0.00010180 -0.00005211 -0.00017715
0.06164219 0.03328127 -0.02031815
3.07173830 -10.36685646 7.88981236
-0.00004850 -0.00011228 -0.00022687
-0.04963512 -0.00202268 0.01908258
-1.86721254 -1.82488648 -19.52759290
-0.00010239 0.00016272 -0.00015791
0.00505137 -0.00256121 -0.02277626
-0.30340189 3.55488483 -10.38496375
-0.00052232 0.00016078 -0.00026904
-0.02467464 -0.00971358 0.01531176
-5.00746006 14.64464415 14.48162037
0.00011949 0.00012060 0.00007190
0.00092298 -0.00349390 -0.02650651
-5.43335515 2.69286483 -7.31096720
0.00023094 0.00023517 0.00015498
0.00571510 0.00207342 0.00150776
-9.20151473 0.77934547 -4.13345329
-0.00017175 0.00022018 0.00029322
-0.01532347 0.00897662 0.03933399
2.90896817 27.47370066 5.84253112
-0.00006014 0.00005549 0.00006051
0.00255184 0.02520277 -0.01761998
10.01125431 -10.76292088 -1.53440524
-0.00014266 -0.00028642 0.00012899
-0.04978707 0.02054216 -0.01108592
-6.78497721 0.99007898 9.24437831
-0.00008410 0.00012074 0.00013693
0.02386953 0.03084152 0.00082912
20.36774056 10.82150764 6.97223466
-0.00041578 -0.00006867 -0.00008646
0.01446513 0.00678678 0.00596305
-3.06887767 1.09828087 -23.83579619
-0.00001699 -0.00007256 0.00005610
-0.05931218 -0.00379010 -0.01335668
-13.76983190 8.80404167 8.58147149
0.00037545 -0.00000280 0.00012124
0.00104033 -0.00620893 -0.00264286
-13.50001579 6.06167803 -3.32424916
-0.00022116 -0.00005246 -0.00017880
-0.01008279 0.02361332 -0.02294366
-2.32484314 -15.38177034 20.56301466
-0.00021121 -0.00010264 -0.00009737
0.02741811 -0.00950883 0.00044727
-6.00130191 7.64366977 -8.06186808
-0.00004152 0.00027662 0.00041263
0.00872064 -0.01038540 -0.00251490
-19.73849602 30.41845209 0.99903005
0.00024074 -0.00006754 -0.00019037
-0.01243873 -0.01548201 -0.00058513
9.84526609 3.80147337 7.93690075
-0.00008108 0.00009410 0.00002764
0.03537221 0.00681432 0.04748024
7.19067198 16.01388391 -11.67166577
0.00015251 0.00018069 0.00019331
0.00199819 0.02952115 -0.00688116
13.74429891 5.08818183 -1.21213273
-0.00030852 -0.00027796 -0.00017706
-0.03983852 0.02648107 -0.01808508
-6.05731855 11.46422190 -2.11496407
-0.00011179 0.00014279 0.00034645
-0.01224411 0.01084916 0.02335628
7.86530430 12.66904691 5.24985329
-0.00018973 -0.00037693 0.00019817
0.03650602 -0.02797786 -0.03801587
21.78531785 -12.00063220 -9.63351946
-0.00055222 0.00019499 0.00016001
-0.05012939 -0.02073207 0.01514140
19.84324188 -5.94509219 -1.19710683
-0.00017254 0.00011333 0.00041112
-0.01458759 -0.00478058 0.00390147
14.73003672 8.01169542 8.77448475
0.00029893 0.00008646 0.00015230
0.00061299 0.00528244 -0.02767553
3.80052035 -13.78633524 16.42300825
0.00001722 -0.00003427 0.00009959
0.01415948 -0.00730435 -0.03688578
-2.56473660 -2.42694159 -13.70420600
-0.00014104 0.00008345 0.00012687
0.00852423 0.01868193 0.00953810
15.50153715 -7.35655934 -13.16136418
-0.00003883 -0.00001683 -0.00001215
0.03202566 -0.02708316 0.00014909
9.69763980 -3.68764551 6.70581443
0.00029356 -0.00015733 0.00001583
-0.04530981 0.00336211 0.00430725
-19.40249161 1.40434716 24.89692227
0.00012435 0.00011231 -0.00006672
-0.00987313 -0.01860610 -0.01553466
24.28732184 -1.22002197 -7.40445621
-0.00027095 0.00018237 -0.00007075
0.01287891 -0.01729597 0.01240253
11.64452688 -10.48468158 -11.24971968
-0.00009784 -0.00004848 -0.00026018
-0.00937843 0.01534818 0.02927010
-8.90071202 -10.78794768 16.48005319
0.00023280 0.00017167 0.00006010
0.00973869 0.00277335 -0.00788625
6.84729968 1.59071182 -27.89021184
0.00029901 0.00003827 -0.00008015
-0.00035301 0.00381248 0.02338815
12.62341152 18.74476149 12.97281308
0.00007931 -0.00030025 -0.00035243
0.03944901 -0.00491406 -0.01404140
26.03982584 7.53874214 -11.08097618
-0.00012860 0.00006685 0.00009145
0.00887350 -0.00337471 0.00871112
5.22324741 -29.66157641 -4.75476767
-0.00015265 -0.00058203 -0.00058804
0.00118641 0.00090115 -0.00167528
4.24246413 -29.88443139 -2.05159649
-0.00024870 0.00010697 -0.00064138
-0.00787091 -0.00099302 0.01338125
-10.04760260 2.02522157 -8.88224161
0.00079398 0.00065998 0.00041428
-0.03885868 0.00105385 -0.01187495
-11.91683589 2.67355920 -11.16030766
0.00051243 -0.00039241 0.00015379
-0.00103481 -0.00166441 0.00642205
-36.98583174 2.87145891 2.38929843
0.00070832 0.00019179 0.00135702
0.00849015 -0.00079286 0.00639216
-37.54347228 0.42378929 3.89449491
-0.00032367 -0.00051837 0.00067555
-0.01851114 -0.01370525 0.00613769
-8.63185176 -4.25179111 1.34758811
0.00077616 0.00059357 0.00017937
-0.01113070 -0.00765702 -0.00171132
-6.23919855 -4.82624703 2.92904771
-0.00009914 -0.00018021 -0.00044531
0.00012641 -0.00637626 0.00225130
2.75262863 -0.01711459 7.29108208
0.00045156 -0.00043620 0.00057793
0.01051784 -0.00226142 -0.04703277
1.60442385 1.82321585 9.31362024
-0.00012018 0.00048076 0.00040232
0.00798399 -0.01868842 -0.00635989
-30.22736901 -0.28214761 2.43989733
0.00075630 0.00028067 0.00038376
0.00233968 0.02006506 0.00735073
-32.73983679 0.88571037 2.84255748
0.00102781 -0.00000737 -0.00038069
-0.00925239 0.01202341 0.00324811
15.62272736 12.10677641 -18.31113110
-0.00012439 -0.00131818 -0.00035407
-0.04370867 -0.03531671 -0.00920560
18.24798922 12.17630787 -16.92905152
0.00035456 0.00018708 -0.00054849
-0.02296835 0.02178770 -0.02559552
-3.04843078 6.83351836 6.28778961
0.00000504 -0.00049679 -0.00011915
0.00287598 -0.00054445 -0.00450216
-3.03252627 5.30829054 3.70350437
0.00003066 -0.00052702 -0.00006743
-0.00348800 0.00247593 0.03802888
5.77728058 16.51948922 -8.79634747
0.00014820 0.00008478 -0.00087072
0.00754416 0.00460882 0.02707073
7.29081285 18.23317939 -7.04663195
-0.00128398 -0.00053185 0.00023782
-0.00826402 -0.00889734 0.00680223
7.46280014 5.23973396 -22.70271618
-0.00040823 -0.00131940 0.00138527
0.01635022 0.01034100 -0.03366723
8.53250184 6.81435636 -20.34517524
-0.00006061 0.00043823 0.00022663
0.01356239 0.00697889 -0.00557940
19.21849010 21.09501538 -3.95244154
0.00010394 0.00011187 0.00040660
-0.00677927 -0.02154406 -0.02783085
19.51443731 19.55545639 -6.65915466
-0.00093775 -0.00035179 -0.00034631
0.01792800 0.00765531 -0.01082874
1.60582870 12.28854940 -20.48182000
-0.00060630 0.00068196 -0.00024283
0.01303934 -0.00782852 -0.00193701
0.21740169 14.44733935 -21.64056987
0.00078046 0.00085167 -0.00139017
0.01877858 0.00748877 -0.00177870
10.56166456 -6.77471069 -0.73624904
-0.00106325 -0.00061035 0.00084868
-0.00177142 -0.00235546 0.00542493
9.75475185 -3.91798165 -0.86498215
-0.00002284 -0.00055990 -0.00011678
0.00293925 -0.02851447 0.03504244
-18.27427067 -5.03017337 6.86387658
0.00051018 -0.00009854 -0.00042020
-0.00541027 -0.00574644 0.00589233
-18.70749536 -5.21544740 3.99097621
0.00024218 0.00053977 -0.00028459
-0.00056169 0.00845691 0.00806735
-14.34830705 -0.19259902 19.13782310
0.00021982 0.00046498 -0.00089389
-0.00391292 -0.00471096 0.01326737
-14.08707377 -0.46132756 22.20245701
-0.00034008 -0.00030558 0.00007683
-0.00555820 0.00078982 -0.01040759
1.29627895 3.22284047 -2.24062253
-0.00054749 -0.00144883 -0.00043997
0.00288766 -0.00620145 0.00768464
2.07474133 2.13259851 -4.81795516
-0.00001622 0.00043512 -0.00015305
-0.00871822 0.01659502 0.00667924
21.95577810 -10.57603076 -6.24136771
-0.00030247 -0.00000042 0.00041358
-0.03256440 -0.00296014 0.03369873
22.72824019 -9.74890551 -3.62494620
0.00055516 -0.00000543 0.00028389
-0.03394078 -0.01983422 -0.00709210
4.56792677 -10.35244322 6.99795569
0.00029440 -0.00018711 -0.00027466
0.04698189 -0.00188481 -0.02236246
3.08322729 -11.83049006 9.01359790
0.00074077 -0.00027678 0.00007606
0.00428204 0.00453319 0.00102453
-2.05516610 -3.21251363 -20.75594685
-0.00039857 -0.00031488 -0.00067216
0.00185998 0.00325993 0.00928064
-3.45001919 -1.72663901 -18.67675939
0.00053504 -0.00064125 -0.00017932
-0.00781653 -0.00219933 0.01032019
0.45840973 5.02605766 -9.74812239
-0.00003434 -0.00040006 -0.00016273
0.02814951 0.02520353 -0.00551643
-1.65414916 3.54824303 -9.13658878
0.00196776 0.00013620 -0.00005558
-0.00508577 -0.01362637 -0.00956295
-3.74101651 15.20461019 15.59042284
-0.00069814 0.00082386 -0.00067055
0.02080863 0.00364345 0.01461716
-6.50675485 14.84343803 15.43311159
-0.00040373 0.00059743 -0.00108574
-0.02092234 -0.00127321 0.00595474
-6.77721461 1.97218109 -6.32104713
-0.00015616 -0.00013297 -0.00003582
-0.00746697 -0.00563634 0.01235360
-4.86435422 1.31541155 -8.32120139
0.00001526 0.00037847 0.00057331
0.00023864 -0.00519527 -0.00949028
-10.16069382 -0.64639375 -3.44266220
0.00068611 -0.00012887 -0.00086226
0.00902271 0.00705604 -0.01307672
-9.52054804 2.10619825 -2.77595203
-0.00039158 -0.00033295 -0.00013228
0.01330464 -0.01133719 -0.02930077
3.00094473 29.12773059 5.00223863
0.00075065 -0.00038147 -0.00029475
-0.00613873 -0.01519177 -0.00335816
3.37470693 27.93554999 7.50725017
-0.00067261 -0.00112903 -0.00092529
0.00311643 -0.00290570 0.02530483
8.17876457 -10.52060002 -1.04185371
0.00007828 -0.00096233 0.00071252
0.03639760 -0.00347571 -0.01438492
10.88574039 -11.05093535 0.04232049
-0.00066237 0.00022568 0.00017279
0.00088703 -0.00897034 0.00889693
-5.22326650 0.08595562 8.83449926
0.00066490 -0.00060126 -0.00061337
-0.01426269 -0.00998370 -0.00021528
-8.23518761 -0.03577917 9.22152732
-0.00014899 0.00024857 -0.00039938
-0.01109966 -0.02309365 -0.00235607
20.36847687 11.07591500 8.84572907
-0.00033249 0.00001990 0.00060180
0.00925485 -0.00622651 -0.02859191
22.14928804 11.20689277 6.35942888
0.00101751 -0.00063341 -0.00067050
-0.02579129 -0.00379580 0.02560109
-2.86343961 0.24452012 -22.20817912
-0.00020128 -0.00061985 -0.00207994
0.00175922 -0.00039403 0.00115894
-5.01327032 1.12083305 -24.16304328
0.00038595 0.00037009 0.00004804
0.05517606 0.00247087 0.01140697
-12.62620784 9.65395366 9.80361858
0.00062830 0.00092274 0.00028324
-0.00475566 -0.00176834 -0.01529002
-13.55246531 9.70176227 6.96612559
0.00033614 -0.00079495 0.00008563
-0.00359277 -0.00436038 0.02101924
-14.16903768 4.94399120 -4.64420357
-0.00104231 -0.00038702 0.00062250
0.00090285 0.00750907 0.00786466
-14.06976220 7.82219082 -3.74470975
0.00095501 0.00007125 -0.00076474
0.00901208 -0.03384102 0.00562349
-4.05251253 -15.59025359 20.19415482
-0.00054277 0.00005726 0.00030508
-0.02597265 -0.00311865 -0.00180913
-1.51607360 -16.68680627 19.52750319
0.00008513 -0.00039320 0.00000246
-0.00783396 0.01046520 0.00369296
-5.73418626 5.92948476 -7.43461944
0.00136833 0.00068350 -0.00031341
-0.00025441 0.00261011 -0.00960451
-7.39170749 8.25800076 -7.06545661
-0.00020775 -0.00003901 0.00010997
-0.00513630 0.01611209 0.00313290
-21.16391782 29.35696158 0.38777369
0.00012766 -0.00145553 0.00083377
0.02184977 0.01726722 0.00864367
-18.18514811 29.40227946 1.03467617
0.00037330 -0.00016061 -0.00133566
-0.00872084 0.00225799 -0.00320368
9.38832491 2.81969088 6.58860599
0.00018873 0.00017712 0.00049569
-0.02336061 -0.02923500 -0.04722943
9.10875969 5.43939113 7.89409278
0.00007783 -0.00059521 -0.00069702
-0.01021932 0.02382832 -0.00230316
8.11234676 17.51203726 -12.31237950
-0.00083012 0.00030872 -0.00012843
-0.00998887 -0.01242143 0.00857202
8.45099518 14.76767281 -11.99312596
0.00007195 0.00087943 -0.00071431
0.00563430 -0.01987939 -0.00035681
12.02680866 5.97160636 -1.18922070
0.00019280 -0.00046270 0.00069176
0.04144582 -0.01832786 -0.00582277
13.75011946 4.14882726 0.31894790
-0.00064005 -0.00054324 0.00009338
0.00127252 -0.01254231 0.02099181
-4.26852698 11.20148246 -2.02765468
0.00033333 -0.00023498 -0.00033454
0.00965520 -0.01359182 0.00532138
-7.10352477 10.71929602 -0.75669080
-0.00140224 0.00043163 0.00034624
0.02538297 0.00311773 -0.01171424
7.35085369 14.25509774 4.62015652
0.00002662 0.00068307 0.00029198
-0.00648239 0.02149425 -0.00641129
9.15541985 12.03431994 3.87989976
0.00025856 0.00011029 0.00012015
-0.03149228 0.01245195 0.04007458
20.44152899 -13.11324744 -8.80716464
0.00014189 -0.00037779 0.00027163
0.02127121 0.02862004 -0.01914879
23.25186628 -12.37412118 -8.66874238
0.00046733 -0.00041269 -0.00010219
0.01823272 -0.00714359 0.00239362
20.00567009 -4.85571380 -2.70254469
0.00030261 0.00015563 0.00027950
-0.01254879 -0.00921812 0.00472696
18.25029559 -6.93770067 -1.31959139
-0.00056113 -0.00012386 0.00044762
0.02205995 0.01697207 -0.00355368
13.88164206 9.62245431 8.63470998
0.00038162 0.00008953 0.00062140
0.00239049 -0.01154621 0.00683072
15.04808925 7.70336347 10.51374689
0.00043296 -0.00056900 0.00047068
0.00355146 0.00206521 0.02638660
3.00550830 -15.21562619 17.22720888
0.00038932 0.00063890 -0.00040269
-0.00681762 0.00595609 0.01619939
3.69401569 -12.13716084 17.16522993
-0.00104319 0.00023196 -0.00034065
-0.00608738 -0.00230463 0.01869821
-2.72127695 -3.86936222 -12.59895175
0.00039756 0.00065948 0.00005225
0.00215959 0.00381477 -0.00125980
-1.08923144 -1.37416847 -13.15555905
0.00100965 -0.00036607 -0.00025229
-0.01024087 -0.02066775 -0.01046664
16.22430247 -7.73469732 -14.89215886
0.00000657 0.00053818 -0.00013322
-0.01627520 0.00599599 0.01726464
16.66870083 -8.30092760 -11.99663719
0.00034502 -0.00053696 -0.00069942
-0.02016833 0.02195489 -0.01358016
7.80172029 -3.85738688 6.37159184
0.00033806 0.00040764 -0.00099713
0.04255905 0.00525301 -0.00465370
10.54523810 -4.14007082 5.17205133
-0.00016535 -0.00095866 -0.00067626
0.00180285 -0.00295005 -0.00723322
-21.14676199 0.83158117 25.13263338
-0.00067049 -0.00092964 0.00033973
0.01488042 0.00453638 0.00211740
-19.11910536 2.91907018 25.85363787
-0.00021256 -0.00035628 0.00021231
-0.00942242 0.00831289 0.01087199
25.38317625 -2.79357159 -7.21004008
0.00000792 0.00009714 0.00025153
-0.01792050 0.02459200 -0.01174831
23.70628643 -0.98668617 -9.12954266
-0.00136678 0.00054911 0.00004722
0.01370246 -0.00394840 0.00300704
11.69204212 -9.92865201 -9.46409208
0.00040526 -0.00024901 -0.00064086
0.00451189 -0.01310763 -0.01160399
12.90628817 -9.43125312 -12.04693094
0.00051990 -0.00010361 0.00015050
0.00651175 0.01171373 -0.00750726
-7.36077539 -10.58776814 17.65095678
0.00012568 -0.00030948 -0.00100646
-0.02810780 -0.00754390 -0.01764855
-10.25548888 -11.09476947 17.65625755
-0.00029918 0.00121722 0.00006685
-0.00435332 0.00337127 0.00366621
7.99584897 1.93403127 -29.25743216
0.00057014 -0.00078400 -0.00000894
0.01484448 -0.00456669 -0.02110297
5.42277716 0.69965801 -28.55620054
-0.00059588 -0.00022936 0.00081010
-0.01006769 -0.00350028 -0.00974995
14.33719087 19.30754907 13.55376504
-0.00070443 0.00026181 0.00043068
-0.03187527 -0.01116046 -0.00674180
13.07323156 17.78526353 11.41723625
-0.00018460 0.00021847 0.00031537
-0.00616556 0.01148484 0.02089418
27.79342130 7.67941420 -11.65294684
0.00048008 0.00015045 -0.00001458
-0.00168001 0.00212649 0.00189723
26.09584144 7.64305643 -9.20929619
-0.00062742 -0.00016039 -0.00031624
0.00599206 0.00128797 -0.01310049
-7.90009813 4.69579767 6.10158986
0.00012767 0.00009246 0.00007341
-0.00042015 -0.00666462 0.00296744
-10.44327802 9.17920921 2.93819683
0.00019271 -0.00007846 0.00014678
0.01214975 -0.00424083 0.01254384
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.07639650
0.27288515
363.60578700
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0605377907
ExchangeOperator: pair fraction: ispin=0: 0.1501135749
ExchangeOperator: bisection time: 1.517 s
total exchange = -52.3088394758 (a.u.)
total exchange computation time: 2.9539430141 s
-153.9148005594
-931.34649591
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0605377907
ExchangeOperator: pair fraction: ispin=0: 0.1501135749
ExchangeOperator: bisection time: 1.514 s
total exchange = -52.3091624570 (a.u.)
total exchange computation time: 2.9522960186 s
-153.9129756816
Anderson extrapolation: theta=1.3613899405 (1.3613899405)
-931.34672718
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0605377907
ExchangeOperator: pair fraction: ispin=0: 0.1501135749
ExchangeOperator: bisection time: 1.514 s
total exchange = -52.3095833341 (a.u.)
total exchange computation time: 2.9526588917 s
-153.9106623188
Anderson extrapolation: theta=0.0560520530 (0.0560520530)
-931.34686831
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0605377907
ExchangeOperator: pair fraction: ispin=0: 0.1501135749
ExchangeOperator: bisection time: 1.515 s
total exchange = -52.3095867361 (a.u.)
total exchange computation time: 2.9527719021 s
-153.9107519036
Anderson extrapolation: theta=2.1307537026 (2.0000000000)
-931.34687465
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0605377907
ExchangeOperator: pair fraction: ispin=0: 0.1501135749
ExchangeOperator: bisection time: 1.514 s
total exchange = -52.3095860566 (a.u.)
total exchange computation time: 2.9562089443 s
-153.9109679664
Anderson extrapolation: theta=0.3142789615 (0.3142789615)
-931.34688235
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0605377907
ExchangeOperator: pair fraction: ispin=0: 0.1501135749
ExchangeOperator: bisection time: 1.512 s
total exchange = -52.3095875105 (a.u.)
total exchange computation time: 2.9554638863 s
-153.9109939099
Anderson extrapolation: theta=1.4843127468 (1.4843127468)
-931.34688416
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0605377907
ExchangeOperator: pair fraction: ispin=0: 0.1501135749
ExchangeOperator: bisection time: 1.516 s
total exchange = -52.3096016346 (a.u.)
total exchange computation time: 2.9537591934 s
-153.9109069083
Anderson extrapolation: theta=0.3888156472 (0.3888156472)
-931.34688585
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0605377907
ExchangeOperator: pair fraction: ispin=0: 0.1501135749
ExchangeOperator: bisection time: 1.516 s
total exchange = -52.3096190727 (a.u.)
total exchange computation time: 2.9533910751 s
-153.9107559881
Anderson extrapolation: theta=1.0064740874 (1.0064740874)
-931.34688624
19.678486 -16.485408 -167.622718
562.540678 1074.875274 -405.057542
582.219165 1058.389866 -572.680260
1336.836170
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0605377907
ExchangeOperator: pair fraction: ispin=0: 0.1501135749
ExchangeOperator: bisection time: 1.513 s
total exchange = -52.3096448362 (a.u.)
total exchange computation time: 2.9539320469 s
677.91155206
-1081.92357988
89.88057477
-390.27584560
-174.62994286
77.22899503
551.60419304
0.00000000
-931.34688634
4.57910376 -30.87783216 -3.52122934
-0.00006578 -0.00012668 0.00016515
0.00536535 -0.00711106 -0.01657840
-11.87397790 2.07560187 -9.39504106
0.00025629 0.00008341 0.00016411
0.03754250 0.00393657 0.00789930
-36.20610634 1.32335600 3.11985208
-0.00000994 0.00036100 -0.00012747
0.00923833 -0.00210435 -0.00152577
-7.48472788 -3.54631592 2.58803663
-0.00000747 0.00017161 0.00008511
0.01078138 0.00950612 0.00575014
2.26424818 0.10590128 8.96117001
0.00002013 -0.00005651 0.00006135
-0.02662831 0.01949870 0.05914488
-31.00000813 1.43635587 2.68652256
-0.00030970 0.00012672 -0.00016131
0.01824024 -0.02416287 -0.00624884
16.92534561 13.22105833 -18.04914689
-0.00005980 -0.00001823 -0.00044318
0.06193751 0.00827685 0.03585660
-3.42445532 5.18793612 5.56071879
0.00001738 -0.00012979 -0.00005159
0.00071373 -0.00292628 -0.03881907
5.80468908 17.12668158 -6.95231075
-0.00001561 -0.00011780 0.00004425
-0.00392540 0.00021334 -0.03889053
7.25664576 5.70286300 -20.99165197
0.00015023 0.00014867 -0.00007553
-0.03864391 -0.00600728 0.05430311
18.61480045 19.64272628 -5.12513070
0.00004218 0.00001622 -0.00012253
-0.00561091 0.01280195 0.04227672
1.96253657 13.93530942 -21.17938700
0.00000123 0.00003355 -0.00012854
-0.02502018 0.01014487 0.00381205
10.35273171 -5.33906880 0.40104181
0.00023270 0.00018789 0.00016290
-0.00325268 0.02690414 -0.04065158
-18.21533860 -4.04963903 5.34486359
0.00044333 -0.00046240 0.00001351
0.00998844 -0.00278405 -0.01303882
-14.24951480 -1.37999660 20.59967677
-0.00013911 0.00010741 0.00030235
0.00991587 0.00582378 -0.01359983
1.59748874 3.72385993 -3.95746777
0.00001761 0.00016166 -0.00025398
0.00626879 -0.01205114 -0.01053646
21.23313507 -10.65152617 -4.45688451
-0.00006980 -0.00003468 -0.00018623
0.06277326 0.03449740 -0.01500244
3.07081930 -10.36854844 7.88648286
-0.00007296 -0.00011381 -0.00021733
-0.04545761 -0.00394256 0.01802167
-1.86872888 -1.82245549 -19.53004940
-0.00009882 0.00016033 -0.00017101
0.00882414 -0.00675865 -0.02817893
-0.31133185 3.55725912 -10.38894035
-0.00053268 0.00015574 -0.00026332
-0.01563456 -0.00988955 0.00695690
-5.00566412 14.64643965 14.48259656
0.00011879 0.00011809 0.00005697
-0.00366706 -0.00626675 -0.03153791
-5.42986894 2.69640034 -7.30863664
0.00023302 0.00023649 0.00015663
0.00233965 0.00307077 0.00489733
-9.20415012 0.78268283 -4.12890319
-0.00017881 0.00022492 0.00031217
-0.01213845 0.00945536 0.03435347
2.90807586 27.47463028 5.84337084
-0.00005961 0.00006725 0.00004868
-0.00045741 0.02050629 -0.02839441
10.00892229 -10.76713801 -1.53251315
-0.00016826 -0.00027584 0.00012309
-0.04975763 0.02060172 -0.01184163
-6.78614662 0.99200911 9.24643541
-0.00007027 0.00013557 0.00013692
0.02991133 0.02681317 -0.00085629
20.36155965 10.82050379 6.97096082
-0.00040680 -0.00006482 -0.00008312
0.02045473 0.00816920 0.00702353
-3.06936132 1.09717780 -23.83500618
-0.00004726 -0.00007321 0.00004666
-0.05838868 0.00125434 -0.02335377
-13.76419615 8.80397567 8.58327988
0.00037639 -0.00000589 0.00012107
0.00263136 -0.00577710 0.00197849
-13.50337212 6.06098220 -3.32701972
-0.00022610 -0.00004050 -0.00019045
-0.00912579 0.02289058 -0.02236319
-2.32790546 -15.38334659 20.56155588
-0.00019747 -0.00010784 -0.00009742
0.02598166 -0.01072435 -0.00065689
-6.00189101 7.64777904 -8.05568829
-0.00003681 0.00027201 0.00041072
0.00959741 -0.00754300 -0.00490684
-19.73493293 30.41737933 0.99617228
0.00023394 -0.00007635 -0.00019092
-0.01398881 -0.01877841 -0.00157255
9.84418638 3.80291123 7.93749851
-0.00006220 0.00009698 0.00005271
0.03802461 0.00437131 0.05000651
7.19296737 16.01670809 -11.66879265
0.00015275 0.00019600 0.00019002
-0.00108574 0.03004453 -0.00592792
13.73951748 5.08411454 -1.21485836
-0.00032835 -0.00026519 -0.00018531
-0.03728399 0.02318533 -0.01400561
-6.05904256 11.46640554 -2.10967725
-0.00011780 0.00014809 0.00035878
-0.01115235 0.00979540 0.02458930
7.86259914 12.66328500 5.25267919
-0.00017148 -0.00038940 0.00017786
0.03448398 -0.02052054 -0.04095135
21.77684116 -11.99778735 -9.63106087
-0.00057617 0.00018399 0.00016870
-0.04298124 -0.02201945 0.01863499
19.84059753 -5.94341072 -1.19092505
-0.00018040 0.00011079 0.00041294
-0.01599880 -0.00508125 0.00317715
14.73452301 8.01301265 8.77666249
0.00029954 0.00008878 0.00013912
0.00177460 0.00374113 -0.02356471
3.80083331 -13.78687754 16.42435975
0.00002525 -0.00003631 0.00007997
0.01703881 -0.00060588 -0.03940244
-2.56681933 -2.42561773 -13.70226618
-0.00013583 0.00009430 0.00013138
0.01172357 0.02350345 0.00800039
15.50107820 -7.35691632 -13.16154585
-0.00002230 -0.00003081 -0.00001211
0.03227251 -0.02726818 0.00002096
9.70186838 -3.68999251 6.70606845
0.00027075 -0.00015594 0.00001664
-0.04338451 0.00204610 -0.00114313
-19.40066447 1.40596011 24.89586157
0.00011739 0.00010161 -0.00007477
-0.01718061 -0.02301313 -0.01576094
24.28330725 -1.21735312 -7.40546963
-0.00026437 0.00017353 -0.00006460
0.01272758 -0.01707416 0.01151527
11.64302315 -10.48534956 -11.25350947
-0.00010217 -0.00004040 -0.00024592
-0.00748462 0.01605470 0.02618486
-8.89718238 -10.78536196 16.48092425
0.00023670 0.00017294 0.00005560
0.00540672 0.00216547 -0.00961522
6.85178348 1.59130052 -27.89132387
0.00029799 0.00003966 -0.00006828
-0.00363530 0.00160169 0.02275841
12.62475329 18.74023878 12.96747250
0.00009854 -0.00030210 -0.00035839
0.03535085 -0.00227278 -0.00914026
26.03793114 7.53973186 -11.07957087
-0.00012316 0.00006514 0.00009481
0.01225742 -0.00325376 0.00437890
5.22099408 -29.67027930 -4.76363967
-0.00014872 -0.00057963 -0.00059249
0.00073691 0.00027466 -0.00049944
4.23849248 -29.88285722 -2.06080722
-0.00028187 0.00010759 -0.00058040
-0.00836817 0.00129634 0.01646904
-10.03688372 2.03515349 -8.87639132
0.00062958 0.00066409 0.00036420
-0.04161557 0.00095855 -0.01263660
-11.90918112 2.66762209 -11.15780399
0.00050765 -0.00039810 0.00017838
-0.00130820 -0.00112413 0.00561187
-36.97494684 2.87431145 2.40984957
0.00073634 0.00019664 0.00137836
0.00522724 0.00316891 0.00405470
-37.54889457 0.41559382 3.90481618
-0.00038545 -0.00056344 0.00069160
-0.01173112 -0.00835847 0.00171950
-8.62055049 -4.24312213 1.35022617
0.00072374 0.00055911 0.00016495
-0.01452595 -0.00921460 -0.00534401
-6.24068181 -4.82914559 2.92243702
-0.00009918 -0.00020482 -0.00043563
-0.00014363 -0.00567034 0.00248903
2.75972440 -0.02372685 7.29830979
0.00049618 -0.00044500 0.00038048
0.01132003 -0.00204761 -0.04962225
1.60286581 1.82985463 9.31946020
-0.00008490 0.00039745 0.00037398
0.00928379 -0.02209629 -0.00751264
-30.21595289 -0.27732268 2.44587893
0.00076384 0.00036461 0.00041369
0.00135286 0.02102242 0.00729967
-32.72470322 0.88596825 2.83694668
0.00097206 0.00003590 -0.00036598
-0.01803618 0.00915906 0.00395183
15.61952207 12.08592149 -18.31672425
-0.00028740 -0.00144967 -0.00038839
-0.03608330 -0.02904582 -0.00759352
18.25260375 12.17978168 -16.93806326
0.00026048 0.00027603 -0.00065239
-0.02308153 0.02175323 -0.02526221
-3.04826705 6.82604987 6.28586441
0.00001804 -0.00049373 -0.00013566
0.00348669 0.00204049 -0.00357915
-3.03217319 5.30046112 3.70365826
0.00001665 -0.00051625 0.00008735
-0.00337222 0.00279667 0.03773727
5.77973482 16.52090213 -8.80857875
0.00017907 0.00010503 -0.00075355
0.00756354 0.00530363 0.03028283
7.27129998 18.22492894 -7.04285617
-0.00130201 -0.00055672 0.00026536
-0.00056188 -0.00327684 0.00667878
7.45717767 5.22025984 -22.68296872
-0.00033823 -0.00128112 0.00123160
0.01791455 0.00839581 -0.04155871
8.53200833 6.82114370 -20.34194668
-0.00000654 0.00046480 0.00020086
0.01290610 0.00602737 -0.00703716
19.21984139 21.09603322 -3.94719533
0.00007585 0.00002232 0.00028963
-0.00696957 -0.02229009 -0.02942849
19.50092048 19.55041418 -6.66468117
-0.00086188 -0.00031994 -0.00039422
0.01920859 0.00793438 -0.01262314
1.59713384 12.29853889 -20.48552183
-0.00055538 0.00064309 -0.00024773
0.01188300 -0.01119621 -0.00046176
0.22968406 14.46034395 -21.66147693
0.00085404 0.00088172 -0.00139685
0.01724035 0.00722012 -0.00148974
10.54566147 -6.78393814 -0.72335257
-0.00107006 -0.00061903 0.00087133
-0.00155941 -0.00189305 0.00566304
9.75449939 -3.92725385 -0.86566011
-0.00001121 -0.00067351 0.00002536
0.00275337 -0.02710232 0.03453872
-18.26678378 -5.03182759 6.85775416
0.00048748 -0.00012764 -0.00038926
-0.00569955 -0.00849758 0.00925000
-18.70387986 -5.20709164 3.98695462
0.00023849 0.00057030 -0.00025453
-0.00124280 0.00648441 0.00664556
-14.34512964 -0.18576866 19.12482126
0.00020414 0.00043856 -0.00082898
-0.00376111 -0.00822029 0.01850840
-14.09234531 -0.46588712 22.20329050
-0.00036206 -0.00029851 0.00003858
-0.00520288 0.00267450 -0.00831532
1.28815508 3.20091802 -2.24698652
-0.00053517 -0.00147060 -0.00041360
0.00314415 -0.00445384 0.00522210
2.07423081 2.13963387 -4.82004616
-0.00005049 0.00049959 -0.00012949
-0.00805661 0.01496298 0.00485004
21.95024315 -10.57612779 -6.23413142
-0.00043267 -0.00001225 0.00054371
-0.03116768 -0.00282930 0.03000085
22.73552753 -9.74959470 -3.62090523
0.00041136 -0.00008944 0.00025166
-0.03644776 -0.02129001 -0.00868184
4.57378237 -10.35530764 6.99315050
0.00047872 -0.00019432 -0.00036207
0.04324747 -0.00164231 -0.02042314
3.09447005 -11.83450286 9.01477017
0.00075701 -0.00025504 0.00007800
0.00366678 0.00611112 -0.00007486
-2.06108768 -3.21713693 -20.76574483
-0.00038922 -0.00029508 -0.00062838
0.00272003 0.00643006 0.01214835
-3.44223309 -1.73632514 -18.67913292
0.00049424 -0.00064899 -0.00013182
-0.01215627 -0.00158988 0.01292889
0.45875727 5.02082901 -9.75073231
0.00008382 -0.00029437 -0.00018597
0.02968799 0.02653617 -0.00586087
-1.62478853 3.54986850 -9.13771550
0.00192562 0.00007796 -0.00007708
-0.01554474 -0.01488465 -0.00096439
-3.75085092 15.21707977 15.58081250
-0.00060353 0.00084392 -0.00060117
0.02550026 0.00617335 0.01934455
-6.51345190 14.85236041 15.41700798
-0.00048948 0.00059262 -0.00106044
-0.02105205 -0.00108170 0.00643152
-6.77978580 1.97001389 -6.32120587
-0.00018286 -0.00015272 0.00001226
-0.00560313 -0.00403278 0.01117978
-4.86411796 1.32092938 -8.31289252
0.00001935 0.00035233 0.00053009
0.00176104 -0.00759874 -0.01166862
-10.15012567 -0.64811062 -3.45599683
0.00071810 -0.00010613 -0.00091150
0.00663616 0.00407486 -0.01102398
-9.52601401 2.10085665 -2.77883402
-0.00033895 -0.00037466 -0.00024647
0.01245934 -0.00908368 -0.02659885
3.01201630 29.12154309 4.99771444
0.00072581 -0.00044068 -0.00030881
-0.00601708 -0.01379246 -0.00352510
3.36471325 27.91852554 7.49414620
-0.00065371 -0.00113397 -0.00079984
0.00613862 0.00048643 0.03610472
8.18105412 -10.53514155 -1.03160673
0.00022335 -0.00097573 0.00065262
0.03461525 -0.00308276 -0.01493423
10.87583203 -11.04782506 0.04518502
-0.00065499 0.00018807 0.00021177
0.00272501 -0.00943836 0.01018085
-5.21373009 0.07663086 8.82529216
0.00059415 -0.00063447 -0.00061039
-0.02037042 -0.00627677 0.00167195
-8.23776261 -0.03275833 9.21546448
-0.00019398 0.00015452 -0.00040925
-0.01092229 -0.02294063 -0.00247670
20.36377306 11.07602275 8.85387993
-0.00029394 -0.00000651 0.00047729
0.00961650 -0.00670166 -0.03235629
22.16376040 11.19727536 6.35015589
0.00089985 -0.00065069 -0.00056017
-0.03180627 -0.00466499 0.02840393
-2.86640494 0.23521025 -22.23934276
-0.00019141 -0.00063153 -0.00205372
0.00307478 -0.00531993 0.01167883
-5.00579028 1.12646018 -24.16197314
0.00060671 0.00038021 0.00009349
0.05288719 0.00248069 0.01083923
-12.61692904 9.66774062 9.80739861
0.00060437 0.00091170 0.00021574
-0.00695791 -0.00363749 -0.01774968
-13.54753337 9.68970434 6.96805418
0.00032214 -0.00081000 0.00016700
-0.00325736 -0.00300316 0.01880790
-14.18464471 4.93841601 -4.63462509
-0.00103881 -0.00035650 0.00065307
0.00081423 0.00743065 0.00710159
-14.05516092 7.82222257 -3.75600848
0.00099019 -0.00006578 -0.00074183
0.00820907 -0.03323815 0.00558748
-4.06144998 -15.58949023 20.19867560
-0.00064338 0.00004446 0.00029822
-0.02327546 -0.00314771 -0.00155016
-1.51503677 -16.69238353 19.52765333
0.00005048 -0.00034770 0.00001923
-0.00912601 0.01180404 0.00451283
-5.71366913 5.93981730 -7.43961486
0.00136611 0.00068910 -0.00034921
-0.00083325 0.00013008 -0.00792108
-7.39498112 8.25790927 -7.06371099
-0.00022986 0.00002549 0.00012437
-0.00568595 0.01546272 0.00391143
-21.16133344 29.33565771 0.40054510
0.00022057 -0.00138001 0.00087025
0.02363419 0.01970277 0.00921364
-18.17981579 29.39993951 1.01454308
0.00033706 -0.00014959 -0.00134760
-0.00901825 0.00313593 -0.00264102
9.39044002 2.82145177 6.59459403
0.00009199 0.00005241 0.00029689
-0.02399454 -0.03181016 -0.05008133
9.10961401 5.43119319 7.88356693
0.00003216 -0.00048829 -0.00070573
-0.01213729 0.02850849 -0.00196005
8.09958892 17.51628747 -12.31404333
-0.00086895 0.00026142 -0.00009450
-0.00902050 -0.01073369 0.00803888
8.45224709 14.78025507 -12.00385161
0.00009888 0.00079387 -0.00071660
0.00754922 -0.02200184 -0.00076091
12.03097071 5.96410425 -1.17902268
0.00035602 -0.00053372 0.00066624
0.03845112 -0.01643650 -0.00667016
13.74055763 4.14029434 0.32099185
-0.00063363 -0.00059142 0.00017292
0.00187176 -0.01104381 0.01794465
-4.26323114 11.19754128 -2.03250968
0.00036441 -0.00029026 -0.00031134
0.00555722 -0.01347102 0.00603429
-7.12378051 10.72586596 -0.75185612
-0.00129211 0.00044626 0.00029383
0.02852710 0.00404364 -0.01394457
7.35105435 14.26600244 4.62433975
0.00000485 0.00075634 0.00027142
-0.00417524 0.01437275 -0.00365374
9.15833328 12.03635579 3.88293004
0.00012920 0.00016072 0.00028432
-0.03183308 0.01223585 0.04028814
20.44430909 -13.11803733 -8.80367700
0.00022658 -0.00026142 0.00019411
0.02018626 0.02834551 -0.01879546
23.25943490 -12.38053042 -8.67020189
0.00052959 -0.00043824 -0.00010034
0.01224601 -0.00536388 -0.00148801
20.00982468 -4.85366181 -2.69820730
0.00025038 0.00011615 0.00030010
-0.01301916 -0.01010738 0.00535771
18.24255470 -6.93903851 -1.31298603
-0.00046695 -0.00005228 0.00043289
0.02403745 0.01806790 -0.00365358
13.88743958 9.62344345 8.64424026
0.00039069 0.00004356 0.00064926
0.00205200 -0.01095582 0.00681049
15.05469244 7.69489171 10.52161570
0.00044591 -0.00055884 0.00057018
0.00278659 0.00291119 0.02231714
3.01113911 -15.20586015 17.22166490
0.00035508 0.00065262 -0.00033013
-0.00993988 0.00075982 0.01931810
3.67818128 -12.13375211 17.16069313
-0.00106758 0.00021989 -0.00026527
-0.00585105 -0.00360400 0.01819967
-2.71524734 -3.85935313 -12.59820657
0.00040473 0.00066722 0.00005217
0.00134680 -0.00002405 0.00121795
-1.07440050 -1.38029282 -13.15966411
0.00096300 -0.00045207 -0.00029725
-0.01259434 -0.02142847 -0.01154387
16.22390230 -7.72644086 -14.89362805
-0.00006026 0.00056211 -0.00006341
-0.01643875 0.00571803 0.01690733
16.67325812 -8.30830930 -12.00754463
0.00026240 -0.00044679 -0.00075411
-0.02027283 0.02218532 -0.01319285
7.80809532 -3.85111136 6.35649235
0.00051076 0.00042904 -0.00101360
0.04197684 0.00522159 -0.00341218
10.54281309 -4.15454105 5.16168584
-0.00016069 -0.00096792 -0.00069724
0.00048032 -0.00158531 -0.00303995
-21.15636336 0.81777556 25.13779424
-0.00059564 -0.00090605 0.00034634
0.02175857 0.00701295 0.00111948
-19.12258248 2.91398077 25.85715561
-0.00025062 -0.00031864 0.00025906
-0.00920658 0.01011070 0.01201311
25.38274590 -2.79136099 -7.20662718
-0.00006695 0.00019864 0.00020168
-0.01873054 0.02509386 -0.01265126
23.68620463 -0.97857057 -9.12874224
-0.00130832 0.00053115 0.00006335
0.01491479 -0.00484127 0.00488809
11.69825931 -9.93278885 -9.47406055
0.00042258 -0.00030134 -0.00068196
0.00396416 -0.01250792 -0.00851581
12.91428624 -9.43244838 -12.04490346
0.00054398 -0.00005796 0.00011985
0.00527559 0.01063360 -0.00749677
-7.35975148 -10.59264153 17.63531906
0.00001571 -0.00033898 -0.00107288
-0.02572582 -0.00689444 -0.01486414
-10.26010994 -11.07640786 17.65737271
-0.00031293 0.00123134 0.00007997
-0.00237668 0.00353934 0.00275349
8.00485589 1.92213133 -29.25821300
0.00062970 -0.00080284 -0.00009580
0.01431503 -0.00465692 -0.02141394
5.41353052 0.69611037 -28.54434776
-0.00062916 -0.00023908 0.00077231
-0.00622756 -0.00126063 -0.00875121
14.32564759 19.31113425 13.56001861
-0.00083034 0.00021673 0.00040280
-0.02975752 -0.01090804 -0.00690426
13.07027365 17.78889253 11.42260700
-0.00020584 0.00025960 0.00039107
-0.00423233 0.00864597 0.01616166
27.80057104 7.68173617 -11.65310738
0.00046551 0.00015842 -0.00000402
-0.00545144 0.00177377 0.00326986
26.08661377 7.64069008 -9.21444124
-0.00060158 -0.00015475 -0.00036421
0.00665784 0.00147386 -0.01038182
-7.89818421 4.69716665 6.10269901
0.00012752 0.00009009 0.00007448
-0.00042893 -0.00656071 0.00300821
-10.44036616 9.17802499 2.94042040
0.00019553 -0.00007943 0.00014968
0.01212197 -0.00412987 0.01240615
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.07636969
0.27051665
360.44987451
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0606831395
ExchangeOperator: pair fraction: ispin=0: 0.1506327745
ExchangeOperator: bisection time: 1.515 s
total exchange = -52.3160854379 (a.u.)
total exchange computation time: 2.9075009823 s
-153.9369804341
-931.34470953
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0606831395
ExchangeOperator: pair fraction: ispin=0: 0.1506327745
ExchangeOperator: bisection time: 1.515 s
total exchange = -52.3163075768 (a.u.)
total exchange computation time: 2.9067919254 s
-153.9359945406
Anderson extrapolation: theta=1.3471350916 (1.3471350916)
-931.34493953
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0606831395
ExchangeOperator: pair fraction: ispin=0: 0.1506327745
ExchangeOperator: bisection time: 1.513 s
total exchange = -52.3165754263 (a.u.)
total exchange computation time: 2.9052240849 s
-153.9348862746
Anderson extrapolation: theta=0.0499447087 (0.0499447087)
-931.34507663
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0606831395
ExchangeOperator: pair fraction: ispin=0: 0.1506327745
ExchangeOperator: bisection time: 1.514 s
total exchange = -52.3165583359 (a.u.)
total exchange computation time: 2.9077610970 s
-153.9350904928
Anderson extrapolation: theta=1.9167149164 (1.9167149164)
-931.34508169
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0606831395
ExchangeOperator: pair fraction: ispin=0: 0.1506327745
ExchangeOperator: bisection time: 1.515 s
total exchange = -52.3165119143 (a.u.)
total exchange computation time: 2.9053421021 s
-153.9355516656
Anderson extrapolation: theta=0.2209619006 (0.2209619006)
-931.34508707
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0606831395
ExchangeOperator: pair fraction: ispin=0: 0.1506327745
ExchangeOperator: bisection time: 1.517 s
total exchange = -52.3164972715 (a.u.)
total exchange computation time: 2.9050569534 s
-153.9356521471
Anderson extrapolation: theta=1.9362007181 (1.9362007181)
-931.34508811
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0606831395
ExchangeOperator: pair fraction: ispin=0: 0.1506327745
ExchangeOperator: bisection time: 1.514 s
total exchange = -52.3164790547 (a.u.)
total exchange computation time: 2.9053919315 s
-153.9357373603
Anderson extrapolation: theta=0.2922884078 (0.2922884078)
-931.34508945
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0606831395
ExchangeOperator: pair fraction: ispin=0: 0.1506327745
ExchangeOperator: bisection time: 1.513 s
total exchange = -52.3164842557 (a.u.)
total exchange computation time: 2.9057810307 s
-153.9356578106
Anderson extrapolation: theta=1.3255695054 (1.3255695054)
-931.34508976
19.759721 -16.522592 -167.636546
562.530883 1074.844755 -405.106461
582.290604 1058.322163 -572.743006
1336.840566
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0606831395
ExchangeOperator: pair fraction: ispin=0: 0.1506327745
ExchangeOperator: bisection time: 1.515 s
total exchange = -52.3164987675 (a.u.)
total exchange computation time: 2.9082248211 s
678.02331776
-1082.15377380
89.86816817
-390.11831978
-174.64798352
77.35517458
551.60419304
0.00000000
-931.34508995
4.57813776 -30.87975978 -3.51881611
-0.00006279 -0.00013066 0.00015563
0.00626460 -0.00838235 -0.02041842
-11.86998878 2.07686827 -9.39254889
0.00027610 0.00008534 0.00016854
0.03948481 0.00356194 0.00931534
-36.20621980 1.32876287 3.11793420
-0.00000611 0.00035731 -0.00012645
0.00565587 -0.01224159 0.00548232
-7.48479839 -3.54370503 2.58933547
-0.00000099 0.00017666 0.00008889
0.01443272 0.01010504 0.00895207
2.26444747 0.10512882 8.96231840
0.00000611 -0.00004595 0.00009203
-0.02791469 0.02158046 0.06017384
-31.00458328 1.43816343 2.68407879
-0.00029780 0.00011490 -0.00016467
0.02803481 -0.02177567 -0.00683003
16.92468751 13.22081679 -18.05565624
-0.00003031 -0.00001575 -0.00042534
0.05273935 0.00138520 0.03351119
-3.42419180 5.18597795 5.55979521
0.00001752 -0.00013201 -0.00007145
-0.00019377 -0.00570473 -0.03840198
5.80443974 17.12491541 -6.95179698
-0.00001974 -0.00011940 0.00002365
-0.01213977 -0.00643548 -0.04123272
7.25875020 5.70506985 -20.99257545
0.00013033 0.00014647 -0.00004555
-0.03876684 -0.00252151 0.06227192
18.61541145 19.64301891 -5.12680553
0.00003907 0.00002283 -0.00010026
-0.00645541 0.01290757 0.04431419
1.96245844 13.93585187 -21.18130041
-0.00001092 0.00003965 -0.00012697
-0.02220948 0.01356328 0.00228629
10.35620969 -5.33614663 0.40332857
0.00023104 0.00020109 0.00014223
-0.00319937 0.02442101 -0.03973190
-18.20865015 -4.05658583 5.34501598
0.00044876 -0.00046261 0.00000644
0.01112434 0.00197583 -0.01447125
-14.25156327 -1.37836301 20.60415958
-0.00013418 0.00011070 0.00029348
0.00927786 0.00698348 -0.02089709
1.59777713 3.72623837 -3.96131809
0.00002050 0.00015546 -0.00025814
0.00497146 -0.01206509 -0.00564553
21.23233016 -10.65191329 -4.45973588
-0.00003758 -0.00001678 -0.00019241
0.06255212 0.03512555 -0.00903049
3.06954960 -10.37027084 7.88329238
-0.00009479 -0.00011628 -0.00020863
-0.03943225 -0.00566894 0.01582834
-1.87017714 -1.82007664 -19.53272329
-0.00009346 0.00015592 -0.00018671
0.01203505 -0.01038125 -0.03288091
-0.31938243 3.55955711 -10.39286327
-0.00053818 0.00015088 -0.00026198
-0.00574391 -0.00902340 -0.00175504
-5.00389648 14.64818679 14.48332944
0.00011575 0.00011425 0.00003977
-0.00813850 -0.00866568 -0.03532768
-5.42636469 2.69995954 -7.30626830
0.00023334 0.00023822 0.00016000
-0.00109077 0.00366568 0.00819978
-9.20687916 0.78609314 -4.12408807
-0.00018415 0.00022986 0.00032836
-0.00859527 0.00973933 0.02860197
2.90718002 27.47571810 5.84399151
-0.00006057 0.00007656 0.00003152
-0.00329459 0.01569486 -0.03834324
10.00620641 -10.77119621 -1.53071242
-0.00019352 -0.00026529 0.00011684
-0.04845675 0.02045584 -0.01246407
-6.78708527 0.99414609 9.24848591
-0.00005375 0.00014824 0.00013607
0.03431100 0.02244215 -0.00245978
20.35553654 10.81956297 6.96974116
-0.00039499 -0.00006037 -0.00007932
0.02546679 0.00912895 0.00773007
-3.07029542 1.09608442 -23.83439634
-0.00007674 -0.00007117 0.00003212
-0.05626930 0.00669056 -0.03319289
-13.75854011 8.80386510 8.58510353
0.00037806 -0.00000884 0.00012330
0.00384282 -0.00571275 0.00670199
-13.50679885 6.06046296 -3.32996280
-0.00023047 -0.00002910 -0.00020171
-0.00785901 0.02145455 -0.02140265
-2.33076734 -15.38500558 20.56009203
-0.00018479 -0.00011360 -0.00009801
0.02335780 -0.01165337 -0.00165085
-6.00240607 7.65183012 -8.04954635
-0.00003175 0.00026892 0.00040763
0.01005093 -0.00446649 -0.00713545
-19.73147776 30.41616170 0.99330238
0.00022648 -0.00008671 -0.00019191
-0.01504654 -0.02152471 -0.00226883
9.84340001 3.80438281 7.93848205
-0.00004228 0.00009839 0.00007846
0.03944887 0.00109299 0.05014190
7.19525438 16.01976405 -11.66596527
0.00015149 0.00021132 0.00018723
-0.00379783 0.02951475 -0.00490067
13.73444842 5.08022612 -1.21769203
-0.00034659 -0.00025434 -0.00019133
-0.03363713 0.01900712 -0.00940028
-6.06085261 11.46866474 -2.10420074
-0.00012309 0.00015291 0.00037163
-0.00942387 0.00892551 0.02537721
7.86016001 12.65736478 5.25518916
-0.00015443 -0.00039789 0.00015622
0.03180838 -0.01248680 -0.04319574
21.76803288 -11.99511238 -9.62845853
-0.00059622 0.00017247 0.00017907
-0.03498972 -0.02278636 0.02168071
19.83782975 -5.94176844 -1.18471876
-0.00018883 0.00010818 0.00041442
-0.01675792 -0.00507453 0.00260322
14.73902298 8.01435874 8.77865845
0.00030083 0.00009019 0.00012826
0.00322202 0.00174155 -0.01869664
3.80127773 -13.78742450 16.42540727
0.00003470 -0.00003486 0.00005914
0.01971336 0.00623549 -0.04157148
-2.56881161 -2.42411255 -13.70026463
-0.00012911 0.00010751 0.00013503
0.01440711 0.02787000 0.00621480
15.50086823 -7.35748365 -13.16172735
-0.00000583 -0.00004474 -0.00001213
0.03174696 -0.02689455 -0.00010697
9.70576226 -3.69232373 6.70631366
0.00024916 -0.00015523 0.00001466
-0.04055615 0.00071721 -0.00656853
-19.39896987 1.40739551 24.89467928
0.00010696 0.00008884 -0.00008287
-0.02339885 -0.02665617 -0.01574505
24.27939085 -1.21481599 -7.40639421
-0.00025796 0.00016494 -0.00005890
0.01220327 -0.01634537 0.01065706
11.64146168 -10.48589369 -11.25709725
-0.00010547 -0.00003195 -0.00023342
-0.00532535 0.01682299 0.02243444
-8.89361103 -10.78275954 16.48172113
0.00023817 0.00017388 0.00005015
0.00030223 0.00147984 -0.01158755
6.85623924 1.59190158 -27.89226032
0.00029535 0.00003993 -0.00005692
-0.00661273 -0.00055525 0.02141331
12.62636777 18.73569854 12.96206141
0.00011542 -0.00030255 -0.00036172
0.03026747 0.00051164 -0.00380088
26.03613100 7.54069648 -11.07813178
-0.00011606 0.00006349 0.00009589
0.01537122 -0.00316890 -0.00018177
5.21878591 -29.67896536 -4.77254228
-0.00014665 -0.00057971 -0.00059204
0.00027523 -0.00031474 0.00072061
4.23400797 -29.88120360 -2.06900863
-0.00031689 0.00011701 -0.00050785
-0.00877237 0.00331567 0.01904604
-10.02871531 2.04514415 -8.87131547
0.00045624 0.00066770 0.00031173
-0.04323548 0.00080901 -0.01304821
-11.90160653 2.66161610 -11.15495638
0.00050168 -0.00040152 0.00019934
-0.00161382 -0.00055037 0.00464773
-36.96374158 2.87735819 2.43064921
0.00075079 0.00021850 0.00139006
0.00184475 0.00753067 0.00167123
-37.55503583 0.40688609 3.91524283
-0.00041971 -0.00058658 0.00068951
-0.00503806 -0.00296629 -0.00274117
-8.61013947 -4.23501787 1.35253673
0.00065797 0.00051859 0.00013620
-0.01766883 -0.01062004 -0.00873192
-6.24217388 -4.83239167 2.91597888
-0.00010037 -0.00022644 -0.00042501
-0.00043920 -0.00491334 0.00271081
2.76751392 -0.03046460 7.30249634
0.00054261 -0.00045261 0.00017746
0.01140977 -0.00167743 -0.04975711
1.60187674 1.83513922 9.32483974
-0.00004497 0.00030184 0.00034128
0.01026215 -0.02470099 -0.00849433
-30.20445386 -0.27120935 2.45230790
0.00076756 0.00045162 0.00044322
0.00046798 0.02156801 0.00715990
-32.71067501 0.88678746 2.83157809
0.00088033 0.00006714 -0.00034845
-0.02686450 0.00613007 0.00462875
15.61410538 12.06328646 -18.32278278
-0.00041691 -0.00155310 -0.00041565
-0.02731315 -0.02158544 -0.00575219
18.25580370 12.18458867 -16.94862323
0.00016653 0.00036425 -0.00075440
-0.02290957 0.02143517 -0.02467244
-3.04788964 6.81870644 6.28371986
0.00003348 -0.00048027 -0.00014833
0.00407227 0.00454793 -0.00262494
-3.03202679 5.29280309 3.70612493
0.00000352 -0.00050416 0.00023886
-0.00305263 0.00311945 0.03642589
5.78265259 16.52264007 -8.81895411
0.00020986 0.00012762 -0.00062470
0.00751077 0.00575346 0.03279220
7.25175267 18.21647766 -7.03867108
-0.00128746 -0.00055761 0.00029240
0.00768306 0.00284082 0.00655401
7.45265312 5.20130026 -22.66576825
-0.00026233 -0.00125054 0.00104860
0.01923893 0.00657552 -0.04802211
8.53230578 6.82830045 -20.33914941
0.00004435 0.00048702 0.00016905
0.01200099 0.00484635 -0.00853520
19.22076555 21.09568499 -3.94375269
0.00004736 -0.00006930 0.00016696
-0.00697639 -0.02255939 -0.03061862
19.48858088 19.54585823 -6.67098131
-0.00078190 -0.00028693 -0.00044776
0.01994489 0.00822273 -0.01358359
1.58916723 12.30784220 -20.48925196
-0.00050937 0.00059092 -0.00024680
0.01064156 -0.01434076 0.00091561
0.24302301 14.47379104 -21.68247528
0.00092078 0.00091067 -0.00140242
0.01542656 0.00695076 -0.00124034
10.52956280 -6.79328160 -0.71010902
-0.00107601 -0.00062566 0.00089502
-0.00135619 -0.00135355 0.00593070
9.75441567 -3.93818705 -0.86422132
-0.00000071 -0.00078036 0.00016434
0.00238580 -0.02520219 0.03349116
-18.25964620 -5.03400260 6.85219864
0.00046366 -0.00016757 -0.00034521
-0.00596365 -0.01104587 0.01231383
-18.70034053 -5.19833846 3.98334032
0.00023182 0.00059247 -0.00023076
-0.00202345 0.00436891 0.00499233
-14.34218273 -0.17944209 19.11295374
0.00018892 0.00039889 -0.00074400
-0.00369241 -0.01120035 0.02309157
-14.09793571 -0.47028277 22.20361437
-0.00038257 -0.00028361 0.00000925
-0.00483646 0.00461948 -0.00603880
1.28022390 3.17872261 -2.25303048
-0.00052168 -0.00148488 -0.00039784
0.00345966 -0.00253706 0.00249241
2.07322653 2.14758625 -4.82183993
-0.00008169 0.00055645 -0.00011396
-0.00721569 0.01287116 0.00275209
21.94279806 -10.57639822 -6.22505649
-0.00055615 -0.00002345 0.00065653
-0.02927694 -0.00265541 0.02522434
22.74058112 -9.75158867 -3.61739633
0.00025902 -0.00017836 0.00021381
-0.03812701 -0.02223549 -0.00984718
4.58228844 -10.35827271 6.98709366
0.00064415 -0.00020058 -0.00043943
0.03773149 -0.00142258 -0.01744756
3.10593753 -11.83814114 9.01593784
0.00077067 -0.00022713 0.00007563
0.00302135 0.00754726 -0.00108507
-2.06684256 -3.22136615 -20.77479829
-0.00037647 -0.00026320 -0.00057367
0.00351659 0.00917906 0.01463440
-3.43519200 -1.74610871 -18.68071409
0.00043677 -0.00065446 -0.00007422
-0.01597319 -0.00108941 0.01526967
0.46092427 5.01722666 -9.75370143
0.00020672 -0.00018556 -0.00021145
0.03047504 0.02672316 -0.00661443
-1.59638058 3.55058175 -9.13890132
0.00184053 0.00001482 -0.00006186
-0.02610748 -0.01602336 0.00841807
-3.75912252 15.22992769 15.57238770
-0.00049173 0.00087373 -0.00051402
0.02922637 0.00842044 0.02331442
-6.52143916 14.86121651 15.40129854
-0.00057401 0.00058842 -0.00103411
-0.02032939 -0.00097351 0.00645468
-6.78270039 1.96759954 -6.32067944
-0.00020146 -0.00016572 0.00005519
-0.00350412 -0.00233042 0.00983696
-4.86377376 1.32598152 -8.30529878
0.00002930 0.00031699 0.00047849
0.00310912 -0.00970227 -0.01359041
-10.13915081 -0.64957775 -3.47000708
0.00073997 -0.00009621 -0.00095210
0.00407011 0.00078038 -0.00885116
-9.53071640 2.09495835 -2.78334616
-0.00029020 -0.00040615 -0.00034830
0.01140415 -0.00632765 -0.02324738
3.02271910 29.11451030 4.99297421
0.00070162 -0.00049342 -0.00032371
-0.00582463 -0.01202599 -0.00376744
3.35509578 27.90153090 7.48325495
-0.00062298 -0.00112561 -0.00063173
0.00890253 0.00360610 0.04618634
8.18546511 -10.54987201 -1.02227501
0.00035911 -0.00098733 0.00059102
0.03183950 -0.00259456 -0.01522294
10.86609068 -11.04529321 0.04867349
-0.00064051 0.00014869 0.00025519
0.00436350 -0.00983709 0.01107417
-5.20544211 0.06692142 8.81618754
0.00050013 -0.00065321 -0.00059997
-0.02565333 -0.00289280 0.00342766
-8.24100699 -0.03114344 9.20924986
-0.00023660 0.00006246 -0.00041953
-0.00993878 -0.02212478 -0.00255541
20.35965861 11.07571979 8.86004781
-0.00025413 -0.00003466 0.00033929
0.00987180 -0.00708072 -0.03519765
22.17628348 11.18737206 6.34262367
0.00075988 -0.00067096 -0.00043950
-0.03671133 -0.00525769 0.03066635
-2.86918183 0.22557433 -22.26979064
-0.00017599 -0.00066422 -0.00198411
0.00447233 -0.01068319 0.02239678
-4.99506898 1.13223935 -24.16023871
0.00081562 0.00039047 0.00013616
0.04937516 0.00254289 0.01005172
-12.60807665 9.68130464 9.81009082
0.00057211 0.00089337 0.00013908
-0.00883314 -0.00533650 -0.01977485
-13.54280107 9.67746236 6.97113544
0.00030960 -0.00081912 0.00023825
-0.00288019 -0.00146293 0.01607054
-14.20020184 4.93329623 -4.62461138
-0.00103584 -0.00032666 0.00068021
0.00063711 0.00717668 0.00618084
-14.04005655 7.82021728 -3.76696479
0.00102161 -0.00019860 -0.00071951
0.00717336 -0.03177694 0.00534188
-4.07181389 -15.58891977 20.20310138
-0.00073110 0.00003173 0.00029277
-0.01966381 -0.00308372 -0.00111886
-1.51455924 -16.69723737 19.52808004
0.00001101 -0.00029748 0.00003880
-0.01019281 0.01278017 0.00506550
-5.69320308 5.95015781 -7.44509574
0.00136159 0.00068448 -0.00037808
-0.00137834 -0.00239006 -0.00621012
-7.39860322 8.25876542 -7.06172565
-0.00025350 0.00008691 0.00014148
-0.00588844 0.01460348 0.00446876
-21.15730061 29.31556134 0.41388117
0.00031950 -0.00129545 0.00090847
0.02479218 0.02168737 0.00949521
-18.17503618 29.39779175 0.99424814
0.00029998 -0.00013516 -0.00135722
-0.00913635 0.00392869 -0.00206802
9.39108459 2.82126313 6.59751279
-0.00000571 -0.00007922 0.00009132
-0.02382789 -0.03262155 -0.05054726
9.10972449 5.42474243 7.87292096
-0.00002050 -0.00036416 -0.00071311
-0.01364256 0.03225496 -0.00165527
8.08627824 17.51987984 -12.31521448
-0.00090338 0.00022178 -0.00006311
-0.00783139 -0.00867036 0.00732532
8.45396166 14.79148893 -12.01462389
0.00013247 0.00070098 -0.00072030
0.00889128 -0.02346823 -0.00105101
12.03748928 5.95559482 -1.16923345
0.00050490 -0.00059588 0.00063746
0.03442422 -0.01399427 -0.00741648
13.73111051 4.13108459 0.32413556
-0.00062475 -0.00063276 0.00023874
0.00247799 -0.00919350 0.01427140
-4.25759472 11.19277451 -2.03699487
0.00037831 -0.00034484 -0.00028532
0.00124539 -0.01324364 0.00670128
-7.14228793 10.73268372 -0.74787605
-0.00117019 0.00046405 0.00023357
0.03115278 0.00466505 -0.01555311
7.35099913 14.27778799 4.62829906
-0.00000750 0.00080000 0.00026219
-0.00187029 0.00699756 -0.00086137
9.15929578 12.03914153 3.88842943
-0.00000035 0.00020973 0.00044795
-0.03157923 0.01175389 0.03980992
20.44832632 -13.12109003 -8.80134126
0.00030556 -0.00014740 0.00011889
0.01847496 0.02746559 -0.01802583
23.26775404 -12.38726840 -8.67175259
0.00056700 -0.00045631 -0.00011427
0.00606328 -0.00348021 -0.00532930
20.01318138 -4.85222927 -2.69354156
0.00019642 0.00007343 0.00032293
-0.01339407 -0.01080374 0.00581375
18.23628697 -6.93926904 -1.30660459
-0.00036614 0.00002279 0.00041778
0.02530926 0.01868112 -0.00374494
13.89336286 9.62376115 8.65418793
0.00039803 0.00000068 0.00067694
0.00154155 -0.01003487 0.00673675
15.06146641 7.68659837 10.53085224
0.00045553 -0.00054496 0.00065171
0.00192503 0.00388351 0.01759250
3.01616076 -15.19604754 17.21730484
0.00030828 0.00064521 -0.00024516
-0.01297004 -0.00438998 0.02227769
3.66198827 -12.13056425 17.15727173
-0.00109080 0.00020209 -0.00019230
-0.00551530 -0.00510864 0.01752283
-2.70913518 -3.84934552 -12.59738676
0.00040859 0.00065926 0.00006223
0.00054422 -0.00387185 0.00370859
-1.06034143 -1.38773044 -13.16447665
0.00090769 -0.00054027 -0.00034618
-0.01448244 -0.02174620 -0.01240435
16.22249467 -7.71783396 -14.89406106
-0.00012729 0.00058470 0.00000406
-0.01637170 0.00534087 0.01611806
16.67657296 -8.31433135 -12.01926061
0.00018046 -0.00035658 -0.00080626
-0.01983693 0.02197443 -0.01233270
7.81704295 -3.84451582 6.34118373
0.00067919 0.00045019 -0.00102519
0.04047416 0.00513260 -0.00226146
10.54041752 -4.16910844 5.15113404
-0.00016130 -0.00097144 -0.00070089
-0.00078274 -0.00013860 0.00125682
-21.16463124 0.80439975 25.14302372
-0.00049482 -0.00087294 0.00034901
0.02759641 0.00919375 0.00018413
-19.12662383 2.90951101 25.86140959
-0.00028786 -0.00027455 0.00030990
-0.00902453 0.01147022 0.01287562
25.38116763 -2.78761248 -7.20398963
-0.00014436 0.00030104 0.00014844
-0.01916077 0.02503077 -0.01340982
23.66703690 -0.97075168 -9.12764225
-0.00124507 0.00050971 0.00008675
0.01604627 -0.00565368 0.00656679
11.70471946 -9.93769225 -9.48455093
0.00043772 -0.00035090 -0.00070952
0.00344658 -0.01174977 -0.00497609
12.92260764 -9.43299195 -12.04333542
0.00056242 -0.00001717 0.00008960
0.00374792 0.00933238 -0.00730886
-7.36030420 -10.59793746 17.61877037
-0.00008317 -0.00036565 -0.00112716
-0.02267305 -0.00616183 -0.01170728
-10.26487666 -11.05782933 17.65865663
-0.00031834 0.00124611 0.00008912
-0.00027254 0.00369383 0.00172646
8.01474012 1.90994599 -29.26030621
0.00068605 -0.00082230 -0.00018257
0.01326824 -0.00486971 -0.02106123
5.40390222 0.69248546 -28.53303131
-0.00064634 -0.00023945 0.00073869
-0.00217777 0.00108334 -0.00770383
14.31228059 19.31405090 13.56584905
-0.00094599 0.00017331 0.00037492
-0.02685373 -0.01034372 -0.00674259
13.06705635 17.79305141 11.42896824
-0.00021880 0.00028820 0.00044590
-0.00211241 0.00535346 0.01067936
27.80738668 7.68416685 -11.65306752
0.00043616 0.00016498 0.00001190
-0.00891924 0.00143824 0.00452261
26.07779414 7.63841405 -9.22022256
-0.00057310 -0.00014836 -0.00040032
0.00728172 0.00165380 -0.00729281
-7.89627260 4.69850042 6.10382431
0.00012736 0.00008776 0.00007557
-0.00044642 -0.00645581 0.00306015
-10.43741210 9.17682638 2.94268716
0.00019833 -0.00008038 0.00015255
0.01200655 -0.00406188 0.01237913
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.07635497
0.26873498
358.07589055
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0606831395
ExchangeOperator: pair fraction: ispin=0: 0.1506327745
ExchangeOperator: bisection time: 1.512 s
total exchange = -52.3244411120 (a.u.)
total exchange computation time: 2.9059369564 s
-153.9647250402
-931.34366706
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0606831395
ExchangeOperator: pair fraction: ispin=0: 0.1506327745
ExchangeOperator: bisection time: 1.515 s
total exchange = -52.3245671941 (a.u.)
total exchange computation time: 2.9041428566 s
-153.9645815369
Anderson extrapolation: theta=1.3473886257 (1.3473886257)
-931.34390126
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0606831395
ExchangeOperator: pair fraction: ispin=0: 0.1506327745
ExchangeOperator: bisection time: 1.514 s
total exchange = -52.3247024467 (a.u.)
total exchange computation time: 2.9053928852 s
-153.9646016452
Anderson extrapolation: theta=0.0499912194 (0.0499912194)
-931.34404102
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0606831395
ExchangeOperator: pair fraction: ispin=0: 0.1506327745
ExchangeOperator: bisection time: 1.515 s
total exchange = -52.3246764835 (a.u.)
total exchange computation time: 2.9054031372 s
-153.9648565190
Anderson extrapolation: theta=1.8939671533 (1.8939671533)
-931.34404617
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0606831395
ExchangeOperator: pair fraction: ispin=0: 0.1506327745
ExchangeOperator: bisection time: 1.516 s
total exchange = -52.3246130162 (a.u.)
total exchange computation time: 2.9085259438 s
-153.9654048527
Anderson extrapolation: theta=0.2159945422 (0.2159945422)
-931.34405162
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0606831395
ExchangeOperator: pair fraction: ispin=0: 0.1506327745
ExchangeOperator: bisection time: 1.512 s
total exchange = -52.3245945093 (a.u.)
total exchange computation time: 2.9076240063 s
-153.9655189189
Anderson extrapolation: theta=1.9116729719 (1.9116729719)
-931.34405268
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0606831395
ExchangeOperator: pair fraction: ispin=0: 0.1506327745
ExchangeOperator: bisection time: 1.515 s
total exchange = -52.3245691647 (a.u.)
total exchange computation time: 2.9057991505 s
-153.9656266803
Anderson extrapolation: theta=0.2868608371 (0.2868608371)
-931.34405407
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0606831395
ExchangeOperator: pair fraction: ispin=0: 0.1506327745
ExchangeOperator: bisection time: 1.515 s
total exchange = -52.3245723734 (a.u.)
total exchange computation time: 2.9056279659 s
-153.9655522983
Anderson extrapolation: theta=1.3176566691 (1.3176566691)
-931.34405440
19.835393 -16.559982 -167.650386
562.519540 1074.813154 -405.154733
582.354933 1058.253172 -572.805119
1336.840584
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0606831395
ExchangeOperator: pair fraction: ispin=0: 0.1506327745
ExchangeOperator: bisection time: 1.512 s
total exchange = -52.3245842481 (a.u.)
total exchange computation time: 2.9079680443 s
678.15233643
-1082.42171767
89.85441987
-389.93533637
-174.66917266
77.50225107
551.60419304
0.00000000
-931.34405465
4.57722009 -30.88175207 -3.51656040
-0.00005937 -0.00013522 0.00014430
0.00704251 -0.00933707 -0.02364924
-11.86569505 2.07816214 -9.38998487
0.00029663 0.00008708 0.00017364
0.04036963 0.00320395 0.01052176
-36.20628962 1.33407530 3.11605862
-0.00000401 0.00034840 -0.00012188
0.00250776 -0.02239033 0.01229132
-7.48475755 -3.54101618 2.59070337
0.00000731 0.00018193 0.00009423
0.01782695 0.01040708 0.01179257
2.26443141 0.10452284 8.96393102
-0.00000830 -0.00003457 0.00012258
-0.02812465 0.02265830 0.05861109
-31.00894216 1.43980299 2.68158232
-0.00028100 0.00010442 -0.00016831
0.03729281 -0.01897736 -0.00729459
16.92443628 13.22058593 -18.06190707
-0.00000576 -0.00001690 -0.00040881
0.04273941 -0.00585878 0.03077101
-3.42392978 5.18397577 5.55857537
0.00001714 -0.00013561 -0.00009084
-0.00126021 -0.00830232 -0.03699537
5.80409674 17.12309960 -6.95160131
-0.00002814 -0.00012443 0.00000200
-0.02052441 -0.01312484 -0.04294439
7.26055556 5.70725724 -20.99301852
0.00011046 0.00014601 -0.00001195
-0.03847212 0.00070826 0.06837603
18.61597266 19.64341111 -5.12813848
0.00003563 0.00002936 -0.00007729
-0.00693453 0.01249659 0.04502069
1.96220897 13.93649895 -21.18319618
-0.00002156 0.00004741 -0.00012613
-0.01915299 0.01662584 0.00098388
10.35966299 -5.33303606 0.40530881
0.00022948 0.00021286 0.00012216
-0.00289380 0.02135373 -0.03831588
-18.20187587 -4.06351739 5.34505674
0.00045479 -0.00046044 -0.00000122
0.01231993 0.00648459 -0.01529460
-14.25354015 -1.37667554 20.60848118
-0.00012956 0.00011446 0.00028101
0.00869455 0.00762147 -0.02760900
1.59810387 3.72852373 -3.96521196
0.00002268 0.00014933 -0.00025969
0.00349493 -0.01178029 -0.00040224
21.23200782 -10.65202943 -4.46265693
-0.00000577 0.00000132 -0.00019535
0.06112659 0.03525731 -0.00240479
3.06797570 -10.37203697 7.88022402
-0.00011317 -0.00011959 -0.00020127
-0.03205619 -0.00719475 0.01277714
-1.87153256 -1.81777787 -19.53565084
-0.00008662 0.00014980 -0.00020463
0.01454421 -0.01340974 -0.03679634
-0.32747732 3.56178550 -10.39679973
-0.00053850 0.00014672 -0.00026510
0.00450034 -0.00714902 -0.01039860
-5.00219162 14.64986709 14.48378979
0.00011052 0.00010931 0.00002098
-0.01219140 -0.01052958 -0.03774598
-5.42286885 2.70354702 -7.30383670
0.00023192 0.00024014 0.00016500
-0.00441939 0.00380099 0.01126733
-9.20967451 0.78957858 -4.11905229
-0.00018759 0.00023487 0.00034143
-0.00479059 0.00973841 0.02220640
2.90625877 27.47692700 5.84431638
-0.00006290 0.00008343 0.00000963
-0.00576326 0.01101206 -0.04678875
10.00311669 -10.77509659 -1.52900785
-0.00021780 -0.00025484 0.00011032
-0.04597793 0.02017215 -0.01292075
-6.78775922 0.99645620 9.25051743
-0.00003539 0.00015860 0.00013442
0.03711175 0.01785258 -0.00396383
20.34970990 10.81869257 6.96858114
-0.00038083 -0.00005552 -0.00007526
0.02960905 0.00972902 0.00807953
-3.07166362 1.09504265 -23.83404256
-0.00010482 -0.00006630 0.00001268
-0.05289263 0.01225906 -0.04241988
-13.75285441 8.80371046 8.58697888
0.00038025 -0.00001185 0.00012796
0.00467915 -0.00600884 0.01143077
-13.51028622 6.06010924 -3.33307099
-0.00023412 -0.00001861 -0.00021239
-0.00633671 0.01932966 -0.02011260
-2.33344902 -15.38675447 20.55861544
-0.00017369 -0.00011975 -0.00009907
0.01978751 -0.01227826 -0.00247173
-6.00284358 7.65584674 -8.04345947
-0.00002657 0.00026745 0.00040344
0.01010962 -0.00125414 -0.00916060
-19.72813867 30.41477801 0.99041497
0.00021858 -0.00009835 -0.00019319
-0.01565590 -0.02372415 -0.00270103
9.84291798 3.80586282 7.93985241
-0.00002195 0.00009795 0.00010368
0.03961262 -0.00280979 0.04793411
7.19751210 16.02304771 -11.66317570
0.00014897 0.00022610 0.00018497
-0.00601520 0.02794623 -0.00388768
13.72911985 5.07648433 -1.22059822
-0.00036269 -0.00024584 -0.00019490
-0.02898277 0.01406618 -0.00450578
-6.06273537 11.47099281 -2.09852844
-0.00012735 0.00015734 0.00038475
-0.00712422 0.00830563 0.02564895
7.85796628 12.65134823 5.25736589
-0.00013888 -0.00040220 0.00013362
0.02865348 -0.00426627 -0.04470521
21.75895467 -11.99261319 -9.62568892
-0.00061203 0.00016070 0.00019085
-0.02649366 -0.02299515 0.02414349
19.83493268 -5.94016531 -1.17849239
-0.00019749 0.00010564 0.00041566
-0.01692074 -0.00479877 0.00219827
14.74354781 8.01571826 8.78051016
0.00030291 0.00009048 0.00012000
0.00488414 -0.00061990 -0.01339356
3.80187422 -13.78792337 16.42613407
0.00004544 -0.00002995 0.00003730
0.02207685 0.01286653 -0.04337539
-2.57069275 -2.42239236 -13.69821514
-0.00012115 0.00012282 0.00013775
0.01657514 0.03167230 0.00433519
15.50090318 -7.35825848 -13.16190969
0.00001018 -0.00005835 -0.00001222
0.03050881 -0.02602214 -0.00025269
9.70934326 -3.69464941 6.70650820
0.00022922 -0.00015520 0.00000993
-0.03698597 -0.00059316 -0.01181063
-19.39745578 1.40862528 24.89337553
0.00009361 0.00007441 -0.00009089
-0.02849077 -0.02946384 -0.01546905
24.27556860 -1.21240496 -7.40723657
-0.00025189 0.00015684 -0.00005361
0.01136407 -0.01516559 0.00990295
11.63985913 -10.48630804 -11.26051195
-0.00010761 -0.00002308 -0.00022297
-0.00299056 0.01765727 0.01817005
-8.89003735 -10.78014570 16.48242861
0.00023682 0.00017445 0.00004360
-0.00553127 0.00074822 -0.01387911
6.86064399 1.59249836 -27.89303158
0.00029129 0.00003912 -0.00004641
-0.00915882 -0.00258354 0.01947972
12.62821576 18.73116225 12.95662100
0.00012945 -0.00030156 -0.00036222
0.02431809 0.00336050 0.00184117
26.03444945 7.54163666 -11.07669409
-0.00010743 0.00006187 0.00009459
0.01817109 -0.00312713 -0.00486859
5.21659461 -29.68767071 -4.78140072
-0.00014648 -0.00058216 -0.00058654
-0.00019448 -0.00088456 0.00197141
4.22898585 -29.87934678 -2.07604277
-0.00035330 0.00013391 -0.00042608
-0.00905039 0.00495463 0.02098240
-10.02319662 2.05518440 -8.86703930
0.00027856 0.00067062 0.00025830
-0.04373807 0.00062009 -0.01310978
-11.89413084 2.65557637 -11.15182393
0.00049439 -0.00040256 0.00021610
-0.00195229 0.00004434 0.00355898
-36.95242326 2.88086647 2.45155127
0.00075138 0.00025869 0.00139209
-0.00155343 0.01214304 -0.00067506
-37.56148585 0.39799656 3.92550149
-0.00042739 -0.00058803 0.00066950
0.00127943 0.00225366 -0.00705341
-8.60081130 -4.22756448 1.35431214
0.00058019 0.00047287 0.00009444
-0.02040591 -0.01175893 -0.01171082
-6.24369287 -4.83593887 2.90968687
-0.00010299 -0.00024481 -0.00041353
-0.00084386 -0.00407635 0.00290788
2.77600272 -0.03730516 7.30363347
0.00058788 -0.00045835 -0.00002110
0.01075160 -0.00113010 -0.04743614
1.60151660 1.83890998 9.32969870
-0.00000171 0.00019728 0.00030494
0.01091455 -0.02648544 -0.00929358
-30.19292614 -0.26377421 2.45917567
0.00076790 0.00053998 0.00047202
-0.00030247 0.02168676 0.00693742
-32.69829323 0.88798236 2.82649316
0.00075330 0.00008597 -0.00032828
-0.03531671 0.00308687 0.00524704
15.60701476 12.03932854 -18.32919384
-0.00050959 -0.00162474 -0.00043521
-0.01805507 -0.01348229 -0.00382190
18.25759961 12.19070933 -16.96069528
0.00007388 0.00045061 -0.00085348
-0.02244148 0.02083771 -0.02382753
-3.04726265 6.81164173 6.28141444
0.00005122 -0.00045691 -0.00015713
0.00461160 0.00688555 -0.00168177
-3.03206747 5.28533625 3.71082399
-0.00000788 -0.00049077 0.00038292
-0.00252749 0.00343805 0.03409429
5.78603068 16.52473063 -8.82731977
0.00024029 0.00015157 -0.00048695
0.00738194 0.00597316 0.03463986
7.23267622 18.20820050 -7.03408432
-0.00123871 -0.00053292 0.00031896
0.01618011 0.00924663 0.00645045
7.44930765 5.18274367 -22.65151086
-0.00018160 -0.00122665 0.00084309
0.02028235 0.00512032 -0.05257400
8.53333873 6.83575420 -20.33687523
0.00009116 0.00050406 0.00013112
0.01091338 0.00349699 -0.01003159
19.22126216 21.09395418 -3.94218655
0.00001921 -0.00016106 0.00004028
-0.00680254 -0.02235774 -0.03139283
19.47746361 19.54180622 -6.67811393
-0.00070004 -0.00025270 -0.00050337
0.02012435 0.00853205 -0.01364087
1.58185281 12.31626662 -20.49292597
-0.00046851 0.00052663 -0.00024058
0.00935884 -0.01712981 0.00213139
0.25730740 14.48766412 -21.70354965
0.00097964 0.00093851 -0.00140706
0.01338525 0.00667630 -0.00103017
10.51338102 -6.80270802 -0.69650201
-0.00108115 -0.00062995 0.00091985
-0.00115548 -0.00074466 0.00622313
9.75447818 -3.95066480 -0.86072999
0.00000787 -0.00087841 0.00029787
0.00181432 -0.02279227 0.03187314
-18.25287410 -5.03685457 6.84739778
0.00043881 -0.00021728 -0.00028957
-0.00619906 -0.01329094 0.01492504
-18.69692521 -5.18931754 3.98003197
0.00022179 0.00060581 -0.00021410
-0.00288575 0.00215901 0.00315968
-14.33946212 -0.17380194 19.10250140
0.00017383 0.00034812 -0.00064168
-0.00369090 -0.01365014 0.02699465
-14.10382252 -0.47439530 22.20356814
-0.00040159 -0.00026073 -0.00001055
-0.00447018 0.00657705 -0.00365411
1.27250476 3.15637171 -2.25892168
-0.00050683 -0.00149106 -0.00039348
0.00380982 -0.00049021 -0.00036011
2.07178003 2.15632746 -4.82346503
-0.00010913 0.00060393 -0.00010749
-0.00621284 0.01036977 0.00041506
21.93355869 -10.57683139 -6.21443565
-0.00067091 -0.00003385 0.00074760
-0.02689984 -0.00243478 0.01935489
22.74329805 -9.75494538 -3.61449094
0.00010145 -0.00027014 0.00017204
-0.03900399 -0.02269459 -0.01060093
4.59310693 -10.36132496 6.97996752
0.00078425 -0.00020597 -0.00050305
0.03084882 -0.00121777 -0.01369136
3.11759018 -11.84131688 9.01703902
0.00078165 -0.00019370 0.00006935
0.00235315 0.00882068 -0.00198741
-2.07238193 -3.22503283 -20.78295486
-0.00036062 -0.00022103 -0.00050966
0.00424367 0.01146199 0.01670012
-3.42912984 -1.75595904 -18.68135944
0.00036532 -0.00065810 -0.00000786
-0.01900519 -0.00069178 0.01721041
0.46495896 5.01526208 -9.75707592
0.00033120 -0.00007834 -0.00024080
0.03045832 0.02576516 -0.00775216
-1.56957266 3.55031299 -9.13957123
0.00171313 -0.00005268 -0.00000758
-0.03625748 -0.01701689 0.01814920
-3.76560295 15.24329166 15.56539176
-0.00036726 0.00091180 -0.00041271
0.03170701 0.01021592 0.02628082
-6.53067233 14.87001294 15.38598467
-0.00065391 0.00058448 -0.00100852
-0.01878127 -0.00095376 0.00607163
-6.78582973 1.96504237 -6.31955015
-0.00021121 -0.00017167 0.00009244
-0.00126440 -0.00058339 0.00839511
-4.86323902 1.33043904 -8.29853795
0.00004429 0.00027390 0.00041973
0.00422839 -0.01138951 -0.01517219
-10.12792651 -0.65099706 -3.48455977
0.00075116 -0.00010017 -0.00098370
0.00140624 -0.00271730 -0.00661947
-9.53471987 2.08867225 -2.78928304
-0.00024618 -0.00042535 -0.00043513
0.01014078 -0.00307165 -0.01925416
3.03306493 29.10674048 4.98800309
0.00067837 -0.00053825 -0.00033974
-0.00555569 -0.00991715 -0.00407661
3.34602391 27.88475726 7.47519429
-0.00058188 -0.00110542 -0.00042541
0.01121300 0.00627634 0.05480877
8.19182742 -10.56476148 -1.01387625
0.00048151 -0.00099677 0.00052879
0.02807525 -0.00202414 -0.01523645
10.85661675 -11.04336423 0.05284066
-0.00061981 0.00010784 0.00030135
0.00576925 -0.01016025 0.01152412
-5.19872633 0.05703469 8.80729298
0.00038631 -0.00065882 -0.00058270
-0.03006033 0.00014418 0.00502594
-8.24486048 -0.03088448 9.20287862
-0.00027367 -0.00002500 -0.00043002
-0.00820720 -0.02068711 -0.00257792
20.35614917 11.07498287 8.86405855
-0.00021349 -0.00006417 0.00019154
0.01002371 -0.00736111 -0.03712345
22.18655666 11.17714652 6.33697087
0.00060196 -0.00069317 -0.00031066
-0.04059069 -0.00561470 0.03240435
-2.87168462 0.21528369 -22.29886591
-0.00015481 -0.00071917 -0.00187136
0.00589701 -0.01621586 0.03279238
-4.98132167 1.13817436 -24.15788824
0.00100751 0.00040112 0.00017514
0.04455609 0.00267029 0.00902948
-12.59976562 9.69454161 9.81157111
0.00053290 0.00086849 0.00005508
-0.01036473 -0.00684278 -0.02134595
-13.53824529 9.66513072 6.97520160
0.00029867 -0.00082164 0.00029736
-0.00247159 0.00022751 0.01286662
-14.21571993 4.92861627 -4.61421887
-0.00103376 -0.00029818 0.00070330
0.00037938 0.00676115 0.00512165
-14.02451255 7.81626450 -3.77759370
0.00104838 -0.00032370 -0.00069863
0.00592813 -0.02945735 0.00487834
-4.08338292 -15.58853831 20.20745860
-0.00080260 0.00001940 0.00028933
-0.01533472 -0.00295045 -0.00056495
-1.51470639 -16.70130797 19.52881719
-0.00003230 -0.00024407 0.00006005
-0.01100752 0.01336578 0.00533699
-5.67282149 5.96035184 -7.45095721
0.00135489 0.00066968 -0.00039999
-0.00190032 -0.00485821 -0.00451365
-7.40258619 8.26051657 -7.05946644
-0.00027725 0.00014442 0.00016042
-0.00573725 0.01354621 0.00479985
-21.15174836 29.29679411 0.42779917
0.00042182 -0.00120378 0.00094725
0.02529286 0.02318850 0.00948859
-18.17081649 29.39588477 0.97382645
0.00026278 -0.00011768 -0.00136450
-0.00907261 0.00462599 -0.00149425
9.39026884 2.81907524 6.59733369
-0.00010109 -0.00021046 -0.00011123
-0.02286125 -0.03162303 -0.04860245
9.10899887 5.42026845 7.86217355
-0.00007826 -0.00022710 -0.00071928
-0.01462851 0.03483422 -0.00136498
8.07248761 17.52294085 -12.31593669
-0.00093255 0.00019124 -0.00003499
-0.00644811 -0.00627749 0.00644120
8.45622115 14.80128450 -12.02546059
0.00017021 0.00060358 -0.00072489
0.00958536 -0.02420847 -0.00119648
12.04611759 5.94622773 -1.15989875
0.00063518 -0.00064693 0.00060589
0.02934905 -0.01099393 -0.00803930
13.72181526 4.12131141 0.32815390
-0.00061338 -0.00066606 0.00028867
0.00308748 -0.00710555 0.01017233
-4.25188197 11.18719609 -2.04106935
0.00037447 -0.00039829 -0.00025669
-0.00312453 -0.01292097 0.00731515
-7.15888612 10.73978738 -0.74484917
-0.00103862 0.00048371 0.00016791
0.03325225 0.00495841 -0.01658419
7.35082929 14.29000239 4.63220557
-0.00001065 0.00081368 0.00026418
0.00032966 -0.00029846 0.00183587
9.15832291 12.04264762 3.89636862
-0.00012761 0.00025624 0.00060821
-0.03071583 0.01101546 0.03863620
20.45347582 -13.12245946 -8.80011026
0.00037628 -0.00003825 0.00004767
0.01614402 0.02596787 -0.01683749
23.27644476 -12.39421966 -8.67362990
0.00057926 -0.00046661 -0.00014348
-0.00006044 -0.00156301 -0.00896915
20.01571721 -4.85145885 -2.68851951
0.00014113 0.00002828 0.00034723
-0.01367022 -0.01129669 0.00608398
18.23157035 -6.93835468 -1.30045267
-0.00026158 0.00009939 0.00040230
0.02587722 0.01881444 -0.00383061
13.89938062 9.62346384 8.66454847
0.00040297 -0.00003783 0.00070422
0.00087546 -0.00881825 0.00661703
15.06835836 7.67854303 10.54116695
0.00046153 -0.00052693 0.00071310
0.00101084 0.00494043 0.01246146
3.02038751 -15.18650398 17.21431011
0.00024958 0.00061737 -0.00014869
-0.01576586 -0.00923368 0.02494394
3.64545725 -12.12768948 17.15492423
-0.00111245 0.00017790 -0.00012238
-0.00508126 -0.00673297 0.01670393
-2.70298968 -3.83957520 -12.59633966
0.00040923 0.00063587 0.00008227
-0.00022932 -0.00758170 0.00610331
-1.04716993 -1.39650080 -13.17004940
0.00084563 -0.00062889 -0.00039817
-0.01589385 -0.02163496 -0.01304844
16.22008368 -7.70889974 -14.89350626
-0.00019359 0.00060558 0.00006744
-0.01608389 0.00487728 0.01490797
16.67867207 -8.31900666 -12.03173242
0.00010141 -0.00026814 -0.00085395
-0.01886067 0.02131838 -0.01101213
7.82847108 -3.83760573 6.32573653
0.00083964 0.00047089 -0.00103232
0.03806829 0.00499900 -0.00122701
10.53797397 -4.18368432 5.14065927
-0.00016679 -0.00096899 -0.00068710
-0.00190044 0.00133699 0.00548894
-21.17120784 0.79158739 25.14826448
-0.00037233 -0.00083159 0.00034800
0.03235948 0.01104771 -0.00067731
-19.13121826 2.90574421 25.86645267
-0.00032445 -0.00022596 0.00036359
-0.00888445 0.01231761 0.01340469
25.37841507 -2.78232993 -7.20217392
-0.00022275 0.00040205 0.00009240
-0.01921141 0.02441596 -0.01402152
23.64885259 -0.96327929 -9.12613980
-0.00117741 0.00048514 0.00011648
0.01707064 -0.00637561 0.00798698
11.71139083 -9.94331575 -9.49534628
0.00045083 -0.00039709 -0.00072186
0.00297191 -0.01086130 -0.00106469
12.93115873 -9.43296357 -12.04221532
0.00057413 0.00001796 0.00006042
0.00198634 0.00786753 -0.00697656
-7.36224647 -10.60361102 17.60150419
-0.00016814 -0.00038918 -0.00116778
-0.01892390 -0.00535683 -0.00817319
-10.26966008 -11.03902443 17.66004635
-0.00031502 0.00126146 0.00009394
0.00189521 0.00381762 0.00063278
8.02543751 1.89746221 -29.26369018
0.00073712 -0.00084282 -0.00026660
0.01172876 -0.00517540 -0.02007034
5.39414046 0.68892695 -28.52218699
-0.00064686 -0.00023022 0.00070933
0.00192341 0.00343404 -0.00667157
14.29726782 19.31633364 13.57126625
-0.00104823 0.00013285 0.00034839
-0.02319314 -0.00946380 -0.00624550
13.06370960 17.79753838 11.43598398
-0.00022278 0.00030254 0.00047700
0.00016594 0.00166784 0.00454530
27.81365570 7.68668568 -11.65275049
0.00039341 0.00017022 0.00003265
-0.01200567 0.00112487 0.00563407
26.06942078 7.63623938 -9.22645083
-0.00054217 -0.00014125 -0.00042319
0.00785676 0.00182651 -0.00390256
-7.89436338 4.69979952 6.10496604
0.00012720 0.00008547 0.00007667
-0.00047329 -0.00635342 0.00312039
-10.43441623 9.17561363 2.94499702
0.00020111 -0.00008131 0.00015542
0.01190871 -0.00399271 0.01233287
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.07633082
0.26772383
356.72857632
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0606831395
ExchangeOperator: pair fraction: ispin=0: 0.1506327745
ExchangeOperator: bisection time: 1.515 s
total exchange = -52.3338525961 (a.u.)
total exchange computation time: 2.8990399837 s
-153.9961440836
-931.34365606
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0606831395
ExchangeOperator: pair fraction: ispin=0: 0.1506327745
ExchangeOperator: bisection time: 1.515 s
total exchange = -52.3338753744 (a.u.)
total exchange computation time: 2.8960409164 s
-153.9969166811
Anderson extrapolation: theta=1.3563069127 (1.3563069127)
-931.34389814
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0606831395
ExchangeOperator: pair fraction: ispin=0: 0.1506327745
ExchangeOperator: bisection time: 1.513 s
total exchange = -52.3338678234 (a.u.)
total exchange computation time: 2.8989319801 s
-153.9981830783
Anderson extrapolation: theta=0.0545918430 (0.0545918430)
-931.34404507
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0606831395
ExchangeOperator: pair fraction: ispin=0: 0.1506327745
ExchangeOperator: bisection time: 1.514 s
total exchange = -52.3338323021 (a.u.)
total exchange computation time: 2.8989679813 s
-153.9985090706
Anderson extrapolation: theta=2.0285649206 (2.0000000000)
-931.34405138
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0606831395
ExchangeOperator: pair fraction: ispin=0: 0.1506327745
ExchangeOperator: bisection time: 1.512 s
total exchange = -52.3337476884 (a.u.)
total exchange computation time: 2.8980197906 s
-153.9992147333
Anderson extrapolation: theta=0.2506044064 (0.2506044064)
-931.34405887
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0606831395
ExchangeOperator: pair fraction: ispin=0: 0.1506327745
ExchangeOperator: bisection time: 1.513 s
total exchange = -52.3337236960 (a.u.)
total exchange computation time: 2.8969810009 s
-153.9993683245
Anderson extrapolation: theta=1.7701658465 (1.7701658465)
-931.34406052
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0606831395
ExchangeOperator: pair fraction: ispin=0: 0.1506327745
ExchangeOperator: bisection time: 1.517 s
total exchange = -52.3336936558 (a.u.)
total exchange computation time: 2.8968060017 s
-153.9995115214
Anderson extrapolation: theta=0.3058196742 (0.3058196742)
-931.34406253
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0606831395
ExchangeOperator: pair fraction: ispin=0: 0.1506327745
ExchangeOperator: bisection time: 1.512 s
total exchange = -52.3336971787 (a.u.)
total exchange computation time: 2.8990459442 s
-153.9994344090
Anderson extrapolation: theta=1.2248212871 (1.2248212871)
-931.34406302
19.904638 -16.596941 -167.660590
562.506342 1074.780768 -405.201904
582.410980 1058.183826 -572.862493
1336.834693
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0606831395
ExchangeOperator: pair fraction: ispin=0: 0.1506327745
ExchangeOperator: bisection time: 1.512 s
total exchange = -52.3337105506 (a.u.)
total exchange computation time: 2.8984448910 s
678.29427635
-1082.71781221
89.83963910
-389.73369274
-174.69276331
77.66478691
551.60419304
0.00000000
-931.34406336
4.57635675 -30.88381640 -3.51448714
-0.00005559 -0.00014017 0.00013150
0.00765481 -0.00990351 -0.02611963
-11.86108988 2.07948074 -9.38733967
0.00031734 0.00008864 0.00017930
0.04016963 0.00285549 0.01147946
-36.20634010 1.33921500 3.11427787
-0.00000340 0.00033435 -0.00011394
-0.00012719 -0.03224735 0.01857590
-7.48457919 -3.53824705 2.59216224
0.00001723 0.00018726 0.00010089
0.02074615 0.01031303 0.01410371
2.26419838 0.10409166 8.96599580
-0.00002255 -0.00002291 0.00015169
-0.02726012 0.02270956 0.05459693
-31.01301333 1.44129615 2.67902958
-0.00025970 0.00009546 -0.00017214
0.04553351 -0.01587895 -0.00760178
16.92451476 13.22030988 -18.06792051
0.00001357 -0.00002174 -0.00039377
0.03242308 -0.01296776 0.02771386
-3.42367748 5.18190954 5.55707013
0.00001619 -0.00014048 -0.00010923
-0.00246718 -0.01062893 -0.03451817
5.80359540 17.12118253 -6.95173694
-0.00004081 -0.00013285 -0.00002037
-0.02871848 -0.01962434 -0.04405087
7.26206413 5.70945010 -20.99293410
0.00009086 0.00014707 0.00002419
-0.03776196 0.00340351 0.07217736
18.61648036 19.64389973 -5.12912411
0.00003203 0.00003554 -0.00005431
-0.00706426 0.01154955 0.04433562
1.96181174 13.93727429 -21.18508436
-0.00003058 0.00005663 -0.00012589
-0.01591866 0.01920980 -0.00004491
10.36309397 -5.32976075 0.40699345
0.00022814 0.00022290 0.00010297
-0.00231639 0.01766660 -0.03633222
-18.19500655 -4.07039892 5.34497949
0.00046143 -0.00045604 -0.00000911
0.01353112 0.01060978 -0.01540916
-14.25544996 -1.37492927 20.61258978
-0.00012523 0.00011839 0.00026524
0.00813510 0.00767750 -0.03370354
1.59845758 3.73071820 -3.96910894
0.00002406 0.00014342 -0.00025850
0.00187460 -0.01120718 0.00504159
21.23215705 -10.65187357 -4.46559653
0.00002498 0.00001936 -0.00019471
0.05847034 0.03487726 0.00489907
3.06615450 -10.37385861 7.87725423
-0.00012752 -0.00012363 -0.00019564
-0.02374254 -0.00851229 0.00912363
-1.87277578 -1.81558256 -19.53886227
-0.00007873 0.00014229 -0.00022432
0.01616073 -0.01582162 -0.03977305
-0.33553749 3.56395873 -10.40081641
-0.00053361 0.00014376 -0.00027252
0.01452550 -0.00435054 -0.01844577
-5.00058081 14.65146615 14.48395893
0.00010339 0.00010359 0.00000134
-0.01554611 -0.01170626 -0.03864504
-5.41940711 2.70716382 -7.30131817
0.00022885 0.00024200 0.00017149
-0.00750764 0.00342162 0.01396476
-9.21250681 0.79313915 -4.11384519
-0.00018902 0.00023977 0.00035105
-0.00078162 0.00932400 0.01520476
2.90529305 27.47822085 5.84428028
-0.00006636 0.00008796 -0.00001603
-0.00768692 0.00661442 -0.05298210
9.99967228 -10.77884135 -1.52740295
-0.00024050 -0.00024457 0.00010360
-0.04226573 0.01974575 -0.01318202
-6.78814687 0.99890404 9.25251837
-0.00001597 0.00016656 0.00013202
0.03838299 0.01309028 -0.00536394
20.34411169 10.81789723 6.96748345
-0.00036474 -0.00005045 -0.00007111
0.03294066 0.01000054 0.00804786
-3.07343987 1.09409545 -23.83401605
-0.00013076 -0.00005862 -0.00001119
-0.04801834 0.01759222 -0.05039618
-13.74713262 8.80350946 8.58894242
0.00038278 -0.00001511 0.00013504
0.00514573 -0.00663709 0.01607833
-13.51382247 6.05990463 -3.33633435
-0.00023693 -0.00000940 -0.00022231
-0.00458400 0.01647805 -0.01847645
-2.33597804 -15.38859808 20.55711979
-0.00016463 -0.00012613 -0.00010050
0.01545124 -0.01255021 -0.00307518
-6.00320311 7.65985369 -8.03744325
-0.00002145 0.00026764 0.00039827
0.00979988 0.00199813 -0.01093760
-19.72492035 30.41321130 0.98750673
0.00021049 -0.00011096 -0.00019462
-0.01579789 -0.02533029 -0.00288062
9.84274155 3.80732116 7.94159258
-0.00000187 0.00009541 0.00012720
0.03846396 -0.00704362 0.04350109
7.19972341 16.02654697 -11.66041611
0.00014545 0.00023980 0.00018322
-0.00767847 0.02533631 -0.00292770
13.72356770 5.07285105 -1.22353917
-0.00037613 -0.00024005 -0.00019594
-0.02327909 0.00844723 0.00047403
-6.06467308 11.47338495 -2.09265828
-0.00013031 0.00016151 0.00039787
-0.00437859 0.00792266 0.02538634
7.85599360 12.64529876 5.25919773
-0.00012508 -0.00040230 0.00011047
0.02502695 0.00389680 -0.04532669
21.74967206 -11.99029141 -9.62273305
-0.00062338 0.00014899 0.00020371
-0.01765599 -0.02255612 0.02587606
19.83190508 -5.93859920 -1.17224906
-0.00020608 0.00010331 0.00041673
-0.01648171 -0.00426842 0.00197059
14.74811032 8.01707301 8.78225855
0.00030589 0.00008948 0.00011454
0.00669550 -0.00325848 -0.00787054
3.80264103 -13.78832297 16.42652625
0.00005728 -0.00002177 0.00001466
0.02397010 0.01892897 -0.04467270
-2.57244602 -2.42042783 -13.69613221
-0.00011220 0.00013991 0.00013950
0.01819877 0.03475264 0.00247200
15.50117350 -7.35923405 -13.16209397
0.00002536 -0.00007137 -0.00001239
0.02854079 -0.02462937 -0.00041436
9.71263892 -3.69697968 6.70661162
0.00021130 -0.00015583 0.00000260
-0.03270605 -0.00185051 -0.01670261
-19.39616150 1.40962773 24.89195243
0.00007794 0.00005877 -0.00009870
-0.03244411 -0.03135288 -0.01489040
24.27183401 -1.21011093 -7.40800254
-0.00024638 0.00014944 -0.00004870
0.01009939 -0.01358641 0.00921317
11.63823351 -10.48658616 -11.26378648
-0.00010851 -0.00001378 -0.00021483
-0.00054011 0.01851809 0.01349966
-8.88650634 -10.77752609 16.48302903
0.00023230 0.00017464 0.00003578
-0.01204483 -0.00000586 -0.01651226
6.86497808 1.59307521 -27.89365255
0.00028607 0.00003732 -0.00003704
-0.01115018 -0.00443104 0.01696439
12.63025136 18.72665188 12.95119480
0.00014022 -0.00029910 -0.00035978
0.01753821 0.00619070 0.00765103
26.03290807 7.54255270 -11.07529397
-0.00009746 0.00006027 0.00009088
0.02059338 -0.00312719 -0.00958235
5.21439139 -29.69643027 -4.79013835
-0.00014821 -0.00058680 -0.00057595
-0.00065121 -0.00138666 0.00321053
4.22340905 -29.87718630 -2.08179099
-0.00039052 0.00015654 -0.00033792
-0.00917187 0.00612364 0.02217332
-10.02035848 2.06526265 -8.86356659
0.00010110 0.00067271 0.00020533
-0.04313093 0.00040607 -0.01281790
-11.88677480 2.64953936 -11.14847336
0.00048566 -0.00040115 0.00022824
-0.00232147 0.00064541 0.00238322
-36.94120014 2.88511894 2.47241196
0.00073829 0.00031787 0.00138473
-0.00485248 0.01682332 -0.00292848
-37.56785745 0.38924515 3.93532787
-0.00041049 -0.00056890 0.00063246
0.00699069 0.00710873 -0.01107693
-8.59273373 -4.22083174 1.35536984
0.00049232 0.00042319 0.00004166
-0.02260805 -0.01256257 -0.01412581
-6.24526357 -4.83973589 2.90357307
-0.00010738 -0.00025965 -0.00040129
-0.00130549 -0.00318843 0.00308425
2.78515043 -0.04421497 7.30186342
0.00062899 -0.00046148 -0.00020556
0.00937174 -0.00040320 -0.04286105
1.60182537 1.84105755 9.33398809
0.00004354 0.00008710 0.00026573
0.01123851 -0.02744696 -0.00990165
-30.18141696 -0.25500996 2.46646862
0.00076534 0.00062797 0.00049975
-0.00095083 0.02138406 0.00663635
-32.68807588 0.88936644 2.82172981
0.00059352 0.00009268 -0.00030579
-0.04290003 0.00019775 0.00575869
15.59881762 12.01454435 -18.33583913
-0.00056459 -0.00166296 -0.00044694
-0.00886460 -0.00522875 -0.00191721
18.25802017 12.19810705 -16.97422763
-0.00001620 0.00053395 -0.00094857
-0.02165377 0.01995504 -0.02272166
-3.04635303 6.80499901 6.27900596
0.00007103 -0.00042454 -0.00016218
0.00508310 0.00896108 -0.00079125
-3.03226305 5.27808010 3.71761257
-0.00001671 -0.00047609 0.00051537
-0.00179532 0.00374484 0.03074062
5.78986117 16.52718726 -8.83356247
0.00027003 0.00017600 -0.00034296
0.00717915 0.00598257 0.03584297
7.21459140 18.20049002 -7.02910224
-0.00115550 -0.00048206 0.00034520
0.02455365 0.01565113 0.00639406
7.44720520 5.16450089 -22.64047553
-0.00009723 -0.00120752 0.00062363
0.02101814 0.00424267 -0.05485308
8.53504051 6.84342227 -20.33521584
0.00013329 0.00051538 0.00008717
0.00971126 0.00204515 -0.01148249
19.22134186 21.09085314 -3.94254435
-0.00000786 -0.00025103 -0.00008869
-0.00644769 -0.02168460 -0.03173832
19.46757969 19.53827712 -6.68608256
-0.00061854 -0.00021715 -0.00055735
0.01977084 0.00887031 -0.01278263
1.57511196 12.32364122 -20.49646936
-0.00043289 0.00045194 -0.00022984
0.00807762 -0.01943414 0.00312446
0.27241213 14.50194636 -21.72468716
0.00102979 0.00096520 -0.00141092
0.01116656 0.00638994 -0.00085582
10.49712842 -6.81218007 -0.68251361
-0.00108545 -0.00063164 0.00094589
-0.00095290 -0.00008158 0.00652595
9.75465187 -3.96453940 -0.85528527
0.00001366 -0.00096552 0.00042357
0.00101660 -0.01984563 0.02966083
-18.24648192 -5.04052109 6.84351163
0.00041306 -0.00027536 -0.00022448
-0.00640398 -0.01513891 0.01693699
-18.69368674 -5.18016430 3.97691727
0.00020812 0.00061003 -0.00020517
-0.00380808 -0.00008937 0.00121134
-14.33696771 -0.16899836 19.09370347
0.00015864 0.00028823 -0.00052513
-0.00374868 -0.01566964 0.03005357
-14.10998329 -0.47810476 22.20329797
-0.00041907 -0.00022919 -0.00001997
-0.00408882 0.00886405 -0.00095874
1.26501910 3.13399077 -2.26483496
-0.00049054 -0.00148871 -0.00040077
0.00416337 0.00164203 -0.00320598
2.06995277 2.16570419 -4.82506469
-0.00013224 0.00064051 -0.00011097
-0.00510224 0.00753598 -0.00211672
21.92267073 -10.57741378 -6.20262863
-0.00077501 -0.00004325 0.00081246
-0.02405542 -0.00216330 0.01239884
22.74362457 -9.75969295 -3.61223523
-0.00005809 -0.00036284 0.00012801
-0.03909254 -0.02268193 -0.01095025
4.60581603 -10.36445184 6.97200230
0.00089439 -0.00021054 -0.00055029
0.02306260 -0.00101972 -0.00943725
3.12938704 -11.84395202 9.01801840
0.00078987 -0.00015541 0.00005964
0.00166902 0.00991843 -0.00276812
-2.07766121 -3.22799705 -20.79008795
-0.00034196 -0.00017054 -0.00043810
0.00488942 0.01325403 0.01832610
-3.42423244 -1.76585178 -18.68095003
0.00028343 -0.00066032 0.00006537
-0.02108207 -0.00039333 0.01863611
0.47086033 5.01487653 -9.76092551
0.00045394 0.00002277 -0.00027546
0.02962155 0.02372932 -0.00921406
-1.54498683 3.54900133 -9.13912885
0.00154635 -0.00012389 0.00008594
-0.04537872 -0.01783982 0.02762987
-3.77014017 15.25728173 15.56000647
-0.00023561 0.00095598 -0.00030171
0.03273237 0.01141144 0.02805322
-6.54105653 14.87875092 15.37104292
-0.00072594 0.00058045 -0.00098519
-0.01647620 -0.00102041 0.00534871
-6.78903656 1.96244945 -6.31790634
-0.00021169 -0.00017050 0.00012373
0.00102491 0.00115581 0.00692104
-4.86244514 1.33419854 -8.29270696
0.00006329 0.00022498 0.00035535
0.00507502 -0.01255988 -0.01634134
-10.11661603 -0.65258290 -3.49951815
0.00075146 -0.00011854 -0.00100621
-0.00126106 -0.00627485 -0.00439610
-9.53810185 2.08219789 -2.79639993
-0.00020775 -0.00043026 -0.00050438
0.00867180 0.00066526 -0.01464462
3.04307028 29.09836288 4.98278213
0.00065638 -0.00057383 -0.00035714
-0.00520754 -0.00750003 -0.00444082
3.33763925 27.86836828 7.47049265
-0.00053266 -0.00107554 -0.00018836
0.01288470 0.00834937 0.06122861
8.19991035 -10.57977500 -1.00641127
0.00058654 -0.00100374 0.00046710
0.02334027 -0.00138799 -0.01496084
10.84749640 -11.04205794 0.05771409
-0.00059388 0.00006583 0.00034838
0.00692460 -0.01040521 0.01149601
-5.19385283 0.04715680 8.79870644
0.00025631 -0.00065275 -0.00055926
-0.03357761 0.00282751 0.00644948
-8.24921696 -0.03189336 9.19634939
-0.00030233 -0.00010545 -0.00044045
-0.00582652 -0.01869667 -0.00253104
20.35325404 11.07379482 8.86579414
-0.00017243 -0.00009461 0.00003779
0.01007455 -0.00754071 -0.03814082
22.19434219 11.16657689 6.33330402
0.00043011 -0.00071644 -0.00017574
-0.04352821 -0.00577294 0.03363636
-2.87382601 0.20399923 -22.32593147
-0.00012791 -0.00079633 -0.00171807
0.00726916 -0.02155361 0.04224653
-4.96484369 1.14427302 -24.15498439
0.00117683 0.00041245 0.00020944
0.03832499 0.00287580 0.00775735
-12.59208980 9.70735921 9.81174319
0.00048814 0.00083788 -0.00003440
-0.01154479 -0.00814112 -0.02245250
-13.53384097 9.65281303 6.98005631
0.00028945 -0.00081704 0.00034259
-0.00204286 0.00202670 0.00927302
-14.23121476 4.92435068 -4.60351248
-0.00103287 -0.00027173 0.00072182
0.00005758 0.00619091 0.00394540
-14.00860523 7.81050639 -3.78792365
0.00106968 -0.00043758 -0.00068010
0.00450107 -0.02628916 0.00419015
-4.09589176 -15.58833767 20.21178118
-0.00085537 0.00000772 0.00028830
-0.01050078 -0.00277030 0.00006386
-1.51552815 -16.70455942 19.52988143
-0.00007840 -0.00018908 0.00008183
-0.01156093 0.01355135 0.00532603
-5.65255637 5.97024813 -7.45709530
0.00134607 0.00064509 -0.00041507
-0.00241500 -0.00717793 -0.00287179
-7.40692078 8.26309792 -7.05691306
-0.00029968 0.00019723 0.00018026
-0.00524098 0.01230689 0.00491143
-21.14464601 29.27944801 0.44229869
0.00052486 -0.00110700 0.00098547
0.02514397 0.02418250 0.00922003
-18.16715283 29.39426129 0.95331318
0.00022622 -0.00009756 -0.00136944
-0.00882401 0.00522594 -0.00092459
9.38805202 2.81494930 6.59417593
-0.00019100 -0.00033416 -0.00030126
-0.02115234 -0.02892913 -0.04442094
9.10737672 5.41792933 7.85134247
-0.00013881 -0.00008225 -0.00072423
-0.01501057 0.03607291 -0.00105608
8.05830180 17.52561712 -12.31626415
-0.00095573 0.00017105 -0.00001079
-0.00490103 -0.00360771 0.00540326
8.45906808 14.80959644 -12.03637061
0.00020940 0.00050471 -0.00072972
0.00959828 -0.02419277 -0.00116586
12.05654458 5.93618687 -1.15105674
0.00074258 -0.00068458 0.00057206
0.02322761 -0.00743685 -0.00851929
13.71270923 4.11110275 0.33279567
-0.00059952 -0.00069057 0.00032139
0.00369661 -0.00489202 0.00584180
-4.24636072 11.18082580 -2.04469552
0.00035295 -0.00045027 -0.00022564
-0.00740860 -0.01252393 0.00788129
-7.17344640 10.74719492 -0.74283867
-0.00089962 0.00050390 0.00009926
0.03478551 0.00492736 -0.01701935
7.35067965 14.30219851 4.63622460
-0.00000519 0.00079828 0.00027680
0.00234486 -0.00724411 0.00433883
9.15546759 12.04682881 3.90667567
-0.00025002 0.00029920 0.00076220
-0.02920531 0.01001450 0.03674314
20.45961472 -13.12223743 -8.79991116
0.00043622 0.00006350 -0.00001783
0.01319731 0.02383793 -0.01522518
23.28513178 -12.40126672 -8.67605690
0.00056705 -0.00046914 -0.00018690
-0.00591479 0.00032516 -0.01228596
20.01741524 -4.85138076 -2.68312460
0.00008492 -0.00001844 0.00037224
-0.01384343 -0.01157586 0.00615582
18.22843965 -6.93628724 -1.29453550
-0.00015611 0.00017558 0.00038649
0.02575011 0.01847985 -0.00390877
13.90545204 9.62262611 8.67531454
0.00040492 -0.00007087 0.00073094
0.00007781 -0.00735404 0.00646039
15.07531225 7.67079048 10.55224539
0.00046377 -0.00050451 0.00075320
0.00008810 0.00603578 0.00716327
3.02364804 -15.17752632 17.21284409
0.00018024 0.00057094 -0.00004223
-0.01817571 -0.01349437 0.02716956
3.62861483 -12.12522735 17.15360045
-0.00113213 0.00014700 -0.00005603
-0.00455311 -0.00839254 0.01577405
-2.69685822 -3.83026953 -12.59491851
0.00040681 0.00059791 0.00011166
-0.00095751 -0.01099689 0.00828319
-1.03497250 -1.40659709 -13.17642185
0.00077879 -0.00071622 -0.00045236
-0.01682428 -0.02111410 -0.01347852
16.21668696 -7.69966661 -14.89203780
-0.00025828 0.00062441 0.00012504
-0.01558225 0.00434038 0.01328638
16.67961528 -8.32237546 -12.04487911
0.00002745 -0.00018329 -0.00089533
-0.01734511 0.02021596 -0.00924387
7.84223228 -3.83038926 6.31021412
0.00098843 0.00049097 -0.00103552
0.03476423 0.00483152 -0.00033737
10.53541396 -4.19817827 5.13052089
-0.00017640 -0.00096056 -0.00065646
-0.00280656 0.00279067 0.00951435
-21.17580125 0.77945210 25.15346372
-0.00023259 -0.00078337 0.00034364
0.03604528 0.01255442 -0.00145634
-19.13635719 2.90273232 25.87231727
-0.00036056 -0.00017504 0.00041867
-0.00879430 0.01260553 0.01355856
25.37448512 -2.77555102 -7.20121753
-0.00030061 0.00049946 0.00003415
-0.01890363 0.02326986 -0.01449253
23.63171446 -0.95619763 -9.12414787
-0.00110588 0.00045776 0.00015144
0.01794639 -0.00702296 0.00912663
11.71824434 -9.94960490 -9.50620687
0.00046211 -0.00043945 -0.00071767
0.00255193 -0.00987667 0.00311858
12.93983156 -9.43245302 -12.04152278
0.00057830 0.00004690 0.00003282
0.00005611 0.00629839 -0.00653223
-7.36534851 -10.60961287 17.58373710
-0.00023639 -0.00040931 -0.00119321
-0.01448541 -0.00449569 -0.00427707
-10.27432735 -11.01998555 17.66147486
-0.00030286 0.00127722 0.00009426
0.00406052 0.00389527 -0.00047538
8.03685370 1.88466124 -29.26830419
0.00078096 -0.00086475 -0.00034539
0.00972940 -0.00555474 -0.01849707
5.38449657 0.68557890 -28.51175155
-0.00063053 -0.00021141 0.00068425
0.00606886 0.00577506 -0.00560435
14.28083363 19.31803637 13.57630070
-0.00113405 0.00009663 0.00032459
-0.01881427 -0.00826796 -0.00540470
13.06037301 17.80212757 11.44327828
-0.00021720 0.00030121 0.00048201
0.00256358 -0.00231953 -0.00209117
27.81918893 7.68927345 -11.65208817
0.00033895 0.00017423 0.00005762
-0.01465205 0.00083815 0.00658907
26.06152893 7.63417665 -9.23291826
-0.00050901 -0.00013345 -0.00043177
0.00837555 0.00199074 -0.00029877
-7.89245671 4.70106451 6.10612452
0.00012702 0.00008321 0.00007780
-0.00050634 -0.00625127 0.00318602
-10.43137891 9.17438699 2.94734982
0.00020386 -0.00008223 0.00015828
0.01183710 -0.00391909 0.01228586
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.07640688
0.26765648
356.63883913
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0603924419
ExchangeOperator: pair fraction: ispin=0: 0.1496809086
ExchangeOperator: bisection time: 1.422 s
total exchange = -52.3436402307 (a.u.)
total exchange computation time: 2.8844499588 s
-154.0300035853
-931.34442055
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0603924419
ExchangeOperator: pair fraction: ispin=0: 0.1496809086
ExchangeOperator: bisection time: 1.422 s
total exchange = -52.3435766176 (a.u.)
total exchange computation time: 2.8847520351 s
-154.0315973485
Anderson extrapolation: theta=1.3589760390 (1.3589760390)
-931.34466917
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0603924419
ExchangeOperator: pair fraction: ispin=0: 0.1496809086
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3434570682 (a.u.)
total exchange computation time: 2.8869500160 s
-154.0339447280
Anderson extrapolation: theta=0.0565275256 (0.0565275256)
-931.34482103
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0603924419
ExchangeOperator: pair fraction: ispin=0: 0.1496809086
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3434202342 (a.u.)
total exchange computation time: 2.8840289116 s
-154.0343044866
Anderson extrapolation: theta=2.0759517218 (2.0000000000)
-931.34482792
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0603924419
ExchangeOperator: pair fraction: ispin=0: 0.1496809086
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3433366242 (a.u.)
total exchange computation time: 2.8874859810 s
-154.0350618786
Anderson extrapolation: theta=0.2770469534 (0.2770469534)
-931.34483631
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0603924419
ExchangeOperator: pair fraction: ispin=0: 0.1496809086
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.3433142677 (a.u.)
total exchange computation time: 2.8865418434 s
-154.0352315065
Anderson extrapolation: theta=1.5842972907 (1.5842972907)
-931.34483822
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0603924419
ExchangeOperator: pair fraction: ispin=0: 0.1496809086
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3432932087 (a.u.)
total exchange computation time: 2.8857679367 s
-154.0353627604
Anderson extrapolation: theta=0.3368797869 (0.3368797869)
-931.34484032
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0603924419
ExchangeOperator: pair fraction: ispin=0: 0.1496809086
ExchangeOperator: bisection time: 1.422 s
total exchange = -52.3433007086 (a.u.)
total exchange computation time: 2.8887159824 s
-154.0352756234
Anderson extrapolation: theta=1.1135828310 (1.1135828310)
-931.34484085
19.964139 -16.632865 -167.670731
562.490992 1074.747941 -405.247549
582.455131 1058.115076 -572.918280
1336.823417
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0603924419
ExchangeOperator: pair fraction: ispin=0: 0.1496809086
ExchangeOperator: bisection time: 1.422 s
total exchange = -52.3433196810 (a.u.)
total exchange computation time: 2.8836400509 s
678.44552853
-1083.03321442
89.82395393
-389.51960117
-174.71818837
77.83730713
551.60419304
0.00000000
-931.34484119
4.57555246 -30.88595712 -3.51261538
-0.00005155 -0.00014530 0.00011766
0.00806057 -0.01004463 -0.02771353
-11.85617481 2.08082136 -9.38460591
0.00033767 0.00009002 0.00018537
0.03886820 0.00251643 0.01213080
-36.20639155 1.34410592 3.11264042
-0.00000402 0.00031542 -0.00010294
-0.00229085 -0.04137778 0.02421038
-7.48424077 -3.53539835 2.59372992
0.00002849 0.00019243 0.00010856
0.02305816 0.00979722 0.01572907
2.26375505 0.10383568 8.96848179
-0.00003609 -0.00001147 0.00017820
-0.02539153 0.02175712 0.04847432
-31.01673322 1.44266680 2.67641820
-0.00023457 0.00008812 -0.00017608
0.05221440 -0.01266850 -0.00771493
16.92484339 13.21993379 -18.07372014
0.00002761 -0.00003009 -0.00038037
0.02215843 -0.01952582 0.02439853
-3.42344422 5.17976132 5.55529859
0.00001457 -0.00014645 -0.00012606
-0.00379715 -0.01259358 -0.03092593
5.80287251 17.11911407 -6.95221241
-0.00005752 -0.00014448 -0.00004316
-0.03625821 -0.02558556 -0.04455635
7.26328137 5.71166921 -20.99229284
0.00007172 0.00014931 0.00006164
-0.03666180 0.00532444 0.07344016
18.61693356 19.64447744 -5.12976771
0.00002844 0.00004110 -0.00003203
-0.00690179 0.01004370 0.04227850
1.96129170 13.93819783 -21.18697288
-0.00003791 0.00006702 -0.00012610
-0.01259568 0.02120760 -0.00075374
10.36650708 -5.32634914 0.40839780
0.00022717 0.00023087 0.00008496
-0.00143548 0.01333699 -0.03370370
-18.18803283 -4.07719860 5.34478338
0.00046870 -0.00044965 -0.00001687
0.01472049 0.01422460 -0.01476268
-14.25729701 -1.37312378 20.61643837
-0.00012117 0.00012228 0.00024653
0.00763564 0.00744444 -0.03906833
1.59882574 3.73282622 -3.97296702
0.00002458 0.00013787 -0.00025450
0.00015606 -0.01035942 0.01050214
21.23275736 -10.65144864 -4.46849833
0.00005406 0.00003707 -0.00019015
0.05459623 0.03397903 0.01282947
3.06415013 -10.37574592 7.87435483
-0.00013747 -0.00012829 -0.00019197
-0.01494537 -0.00961829 0.00513187
-1.87389431 -1.81350930 -19.54238053
-0.00007026 0.00013366 -0.00024524
0.01676012 -0.01771303 -0.04156844
-0.34348560 3.56609840 -10.40497540
-0.00052379 0.00014244 -0.00028376
0.02365139 -0.00078476 -0.02526239
-4.99908994 14.65297490 14.48382994
0.00009477 0.00009747 -0.00001837
-0.01798580 -0.01209504 -0.03799004
-5.41600328 2.71080702 -7.29869192
0.00022429 0.00024352 0.00017924
-0.01023430 0.00249774 0.01617316
-9.21534515 0.79677165 -4.10852079
-0.00018836 0.00024432 0.00035694
0.00333682 0.00836724 0.00769400
2.90426803 27.47956573 5.84383544
-0.00007063 0.00009034 -0.00004413
-0.00891756 0.00263497 -0.05629249
9.99590180 -10.78243378 -1.52589975
-0.00026096 -0.00023456 0.00009681
-0.03732924 0.01918583 -0.01323608
-6.78823841 1.00145287 9.25447793
0.00000374 0.00017204 0.00012892
0.03826152 0.00824082 -0.00665981
20.33876760 10.81717904 6.96644784
-0.00034714 -0.00004531 -0.00006708
0.03550022 0.00997836 0.00760551
-3.07558657 1.09328397 -23.83437833
-0.00015378 -0.00004838 -0.00003869
-0.04149632 0.02225409 -0.05653531
-13.74137114 8.80325726 8.59103000
0.00038545 -0.00001876 0.00014445
0.00525501 -0.00755655 0.02053727
-13.51739408 6.05982715 -3.33974025
-0.00023879 -0.00000185 -0.00023131
-0.00264420 0.01289487 -0.01652067
-2.33838787 -15.39053852 20.55560041
-0.00015794 -0.00013256 -0.00010217
0.01055810 -0.01243284 -0.00341181
-6.00348703 7.66387605 -8.03151141
-0.00001657 0.00026949 0.00039226
0.00917135 0.00517615 -0.01243283
-19.72182392 30.41144918 0.98457626
0.00020245 -0.00012424 -0.00019609
-0.01547264 -0.02631644 -0.00282473
9.84286185 3.80872516 7.94366834
0.00001729 0.00009071 0.00014794
0.03604992 -0.01124407 0.03715337
7.20187548 16.03024168 -11.65767912
0.00014122 0.00025191 0.00018194
-0.00875216 0.02175266 -0.00206125
13.71783595 5.06928295 -1.22647646
-0.00038637 -0.00023729 -0.00019445
-0.01654824 0.00226064 0.00534272
-6.06664457 11.47583821 -2.08659226
-0.00013177 0.00016555 0.00041072
-0.00129339 0.00778303 0.02456610
7.85421400 12.63927935 5.26067989
-0.00011326 -0.00039826 0.00008726
0.02091796 0.01181059 -0.04492940
21.74025325 -11.98814364 -9.61957756
-0.00063014 0.00013768 0.00021725
-0.00863216 -0.02140299 0.02677275
19.82875033 -5.93706603 -1.16599052
-0.00021429 0.00010131 0.00041773
-0.01544575 -0.00350061 0.00193373
14.75272449 8.01840261 8.78394622
0.00030982 0.00008708 0.00011191
0.00858077 -0.00607227 -0.00234526
3.80359276 -13.78857654 16.42657380
0.00006994 -0.00001071 -0.00000849
0.02524297 0.02407124 -0.04532958
-2.57405888 -2.41819519 -13.69403021
-0.00010257 0.00015835 0.00014033
0.01925399 0.03696356 0.00074790
15.50166400 -7.36039963 -13.16228144
0.00003935 -0.00008355 -0.00001265
0.02584761 -0.02271844 -0.00058902
9.71568227 -3.69932421 6.70658618
0.00019575 -0.00015708 -0.00000712
-0.02776174 -0.00302092 -0.02110266
-19.39511751 1.41038832 24.89041447
0.00006053 0.00004240 -0.00010613
-0.03526605 -0.03228104 -0.01397714
24.26817734 -1.20792171 -7.40869743
-0.00024157 0.00014298 -0.00004408
0.00858229 -0.01154341 0.00874518
11.63660372 -10.48672142 -11.26695686
-0.00010815 -0.00000403 -0.00020915
0.00195271 0.01937709 0.00857171
-8.88306826 -10.77490653 16.48350205
0.00022428 0.00017444 0.00002653
-0.01913809 -0.00075049 -0.01948218
6.86922615 1.59361787 -27.89414265
0.00027996 0.00003462 -0.00002906
-0.01263383 -0.00604551 0.01406900
12.63242226 18.72218928 12.94582762
0.00014731 -0.00029522 -0.00035436
0.01002798 0.00888242 0.01342096
26.03152557 7.54344463 -11.07396776
-0.00008636 0.00005865 0.00008476
0.02258844 -0.00316453 -0.01419665
5.21214826 -29.70527481 -4.79867921
-0.00015174 -0.00059331 -0.00056040
-0.00107618 -0.00179854 0.00440233
4.21727015 -29.87465053 -2.08618028
-0.00042787 0.00018285 -0.00024656
-0.00910851 0.00675340 0.02254765
-10.02016367 2.07536578 -8.86087943
-0.00007159 0.00067391 0.00015428
-0.04140252 0.00018167 -0.01216998
-11.87956103 2.64354191 -11.14497674
0.00047536 -0.00039729 0.00023545
-0.00272181 0.00124178 0.00114580
-36.93027441 2.89040245 2.49309317
0.00071225 0.00039571 0.00136871
-0.00789794 0.02128126 -0.00491334
-37.57380062 0.38092941 3.94447539
-0.00037167 -0.00053084 0.00057983
0.01201475 0.01152451 -0.01468638
-8.58604172 -4.21486892 1.35556182
0.00039678 0.00037103 -0.00001953
-0.02416047 -0.01296743 -0.01582367
-6.24691428 -4.84372832 2.89764829
-0.00011373 -0.00027081 -0.00038836
-0.00180315 -0.00227703 0.00324344
2.79487250 -0.05114949 7.29746658
0.00066318 -0.00046130 -0.00036749
0.00736261 0.00048874 -0.03640177
1.60282291 1.84152300 9.33767064
0.00008946 -0.00002532 0.00022443
0.01123850 -0.02758162 -0.01031515
-30.16996606 -0.24493517 2.47416827
0.00076037 0.00071385 0.00052613
-0.00147868 0.02065752 0.00627747
-32.68048771 0.89076264 2.81731939
0.00040555 0.00008828 -0.00028144
-0.04910908 -0.00234733 0.00616223
15.59007720 11.98943970 -18.34260192
-0.00058304 -0.00166797 -0.00045110
-0.00016678 0.00277611 -0.00012161
18.25711364 12.20672775 -16.98915250
-0.00010232 0.00061306 -0.00103857
-0.02050397 0.01876897 -0.02133323
-3.04513190 6.79890548 6.27654897
0.00009258 -0.00038440 -0.00016379
0.00546663 0.01068891 0.00000500
-3.03256866 5.27105347 3.72628513
-0.00002211 -0.00046020 0.00063203
-0.00085186 0.00403659 0.02636684
5.79413165 16.53001054 -8.83760850
0.00029881 0.00020005 -0.00019536
0.00690873 0.00579381 0.03640685
7.19801137 18.19373874 -7.02372828
-0.00103926 -0.00040574 0.00037136
0.03234320 0.02170662 0.00641193
7.44639088 5.14651812 -22.63280195
-0.00001053 -0.00119040 0.00039990
0.02142029 0.00413846 -0.05466214
8.53733746 6.85121569 -20.33426017
0.00017039 0.00052069 0.00003748
0.00845035 0.00055052 -0.01284215
19.22102640 21.08642314 -3.94484728
-0.00003309 -0.00033724 -0.00021813
-0.00590559 -0.02051512 -0.03162184
19.45890746 19.53529163 -6.69483458
-0.00053951 -0.00018017 -0.00060603
0.01891378 0.00923509 -0.01104404
1.56886615 12.32982478 -20.49982126
-0.00040241 0.00036906 -0.00021561
0.00684169 -0.02113416 0.00384040
0.28820121 14.51662022 -21.74587712
0.00107063 0.00099068 -0.00141411
0.00882528 0.00608333 -0.00070890
10.48081742 -6.82165713 -0.66812525
-0.00108893 -0.00063053 0.00097317
-0.00074663 0.00062403 0.00682578
9.75488787 -3.97963026 -0.84802276
0.00001561 -0.00103942 0.00053888
-0.00005953 -0.01633236 0.02678023
-18.24048222 -5.04511541 6.84066348
0.00038655 -0.00034001 -0.00015266
-0.00657472 -0.01650521 0.01821787
-18.69068166 -5.17101653 3.97387681
0.00019061 0.00060513 -0.00020428
-0.00476413 -0.00231288 -0.00077690
-14.33470304 -0.16515511 19.08674740
0.00014315 0.00022130 -0.00039713
-0.00383402 -0.01708954 0.03260302
-14.11639465 -0.48127097 22.20296904
-0.00043510 -0.00018923 -0.00001918
-0.00375725 0.01069551 0.00134577
1.25778860 3.11171046 -2.27094472
-0.00047282 -0.00147759 -0.00041941
0.00450944 0.00380232 -0.00591723
2.06781281 2.17554277 -4.82679408
-0.00015053 0.00066494 -0.00012512
-0.00385047 0.00442007 -0.00481087
21.91030851 -10.57812875 -6.19006173
-0.00086660 -0.00005143 0.00084679
-0.02078038 -0.00184106 0.00440401
22.74155526 -9.76583060 -3.61065062
-0.00021636 -0.00045453 0.00008340
-0.03838146 -0.02219979 -0.01088815
4.61993854 -10.36764122 6.96345870
0.00097178 -0.00021430 -0.00057970
0.01482408 -0.00082179 -0.00495806
3.14128619 -11.84597931 9.01882813
0.00079527 -0.00011303 0.00004700
0.00097657 0.01082770 -0.00341566
-2.08264085 -3.23014897 -20.79609790
-0.00032084 -0.00011373 -0.00036076
0.00545106 0.01455194 0.01953179
-3.42062708 -1.77576861 -18.67939848
0.00019535 -0.00066152 0.00014319
-0.02203216 -0.00019620 0.01946155
0.47857709 5.01594527 -9.76533980
0.00057164 0.00011362 -0.00031659
0.02799422 0.02074129 -0.01091598
-1.52318208 3.54659633 -9.13699314
0.00134577 -0.00019804 0.00021617
-0.05280640 -0.01845991 0.03612198
-3.77267135 15.27197117 15.55634045
-0.00010300 0.00100358 -0.00018614
0.03218356 0.01188833 0.02851740
-6.55245049 14.88742636 15.35642897
-0.00078722 0.00057598 -0.00096535
-0.01352227 -0.00116748 0.00436411
-6.79218058 1.95992736 -6.31583838
-0.00020290 -0.00016233 0.00014904
0.00328238 0.00284261 0.00546860
-4.86134022 1.33718829 -8.28787747
0.00008513 0.00017249 0.00028715
0.00561223 -0.01313036 -0.01704352
-10.10538283 -0.65455330 -3.51474595
0.00074106 -0.00015125 -0.00101979
-0.00382948 -0.00973613 -0.00225526
-9.54095237 2.07576431 -2.80441433
-0.00017570 -0.00041901 -0.00055366
0.00701598 0.00484446 -0.00948131
3.05275647 29.08952563 4.97728901
0.00063599 -0.00059900 -0.00037611
-0.00477722 -0.00482010 -0.00484653
3.33004424 27.85249100 7.46954348
-0.00047819 -0.00103861 0.00006909
0.01377462 0.00972974 0.06479647
8.20942373 -10.59487359 -0.99986319
0.00067030 -0.00100801 0.00040716
0.01766014 -0.00070236 -0.01438079
10.83880043 -11.04138934 0.06329207
-0.00056376 0.00002298 0.00039430
0.00781590 -0.01057039 0.01098019
-5.19103717 0.03745220 8.79051517
0.00011373 -0.00063643 -0.00053039
-0.03621620 0.00516078 0.00768471
-8.25393053 -0.03404809 9.18966504
-0.00032023 -0.00017683 -0.00045055
-0.00293216 -0.01624365 -0.00240944
20.35097634 11.07214463 8.86519223
-0.00013137 -0.00012557 -0.00011827
0.01002588 -0.00761511 -0.03824899
22.19946004 11.15565345 6.33169861
0.00024806 -0.00074000 -0.00003681
-0.04558669 -0.00576144 0.03437423
-2.87552191 0.19139384 -22.35040789
-0.00009590 -0.00089385 -0.00152967
0.00839783 -0.02618285 0.04997343
-4.94601691 1.15054792 -24.15160513
0.00131785 0.00042488 0.00023786
0.03070603 0.00320566 0.00615677
-12.58512152 9.71967787 9.81053924
0.00043927 0.00080241 -0.00012744
-0.01237347 -0.00922027 -0.02309209
-13.52956186 9.64061955 6.98547932
0.00028199 -0.00080497 0.00037254
-0.00160743 0.00388201 0.00538740
-14.24670607 4.92046450 -4.59256429
-0.00103342 -0.00024782 0.00073535
-0.00032738 0.00550963 0.00267975
-13.99242206 7.80313712 -3.79799679
0.00108484 -0.00053681 -0.00066486
0.00291879 -0.02228725 0.00327005
-4.10904415 -15.58830681 20.21610768
-0.00088782 -0.00000318 0.00028990
-0.00538018 -0.00256550 0.00072014
-1.51705843 -16.70698037 19.53127209
-0.00012622 -0.00013416 0.00010300
-0.01184738 0.01333373 0.00503593
-5.63243926 5.97970451 -7.46340940
0.00133513 0.00061153 -0.00042365
-0.00294261 -0.00924819 -0.00132439
-7.41157657 8.26643350 -7.05405868
-0.00031942 0.00024465 0.00020013
-0.00442304 0.01090735 0.00481546
-21.13600268 29.26358396 0.45736327
0.00062595 -0.00100726 0.00102210
0.02434302 0.02464215 0.00870956
-18.16402997 29.39295809 0.93274325
0.00019105 -0.00007519 -0.00137207
-0.00838998 0.00572328 -0.00036368
9.38453884 2.80905040 6.58829579
-0.00027269 -0.00044396 -0.00047046
-0.01883748 -0.02481740 -0.03840139
9.10483463 5.41780098 7.84044668
-0.00019957 0.00006470 -0.00072780
-0.01473431 0.03586060 -0.00069423
8.04381562 17.52807230 -12.31626046
-0.00097234 0.00016220 0.00000889
-0.00322941 -0.00072584 0.00423018
8.46250326 14.81642569 -12.04735209
0.00024726 0.00040743 -0.00073402
0.00893184 -0.02342323 -0.00093969
12.06839510 5.92569023 -1.14273686
0.00082291 -0.00070658 0.00053662
0.01609019 -0.00333192 -0.00883277
13.70382976 4.10059428 0.33779547
-0.00058319 -0.00070598 0.00033633
0.00429360 -0.00265185 0.00147406
-4.24129351 11.17368796 -2.04783868
0.00031436 -0.00050051 -0.00019238
-0.01148112 -0.01206801 0.00840108
-7.18587481 10.75490444 -0.74187123
-0.00075557 0.00052333 0.00003004
0.03573039 0.00458114 -0.01686814
7.35067372 14.31395066 4.64050954
0.00000802 0.00075563 0.00029910
0.00411958 -0.01363097 0.00657810
9.15082238 12.05162374 3.91923456
-0.00036481 0.00033751 0.00090689
-0.02698719 0.00873505 0.03408522
20.46656243 -13.12055446 -8.80064515
0.00048288 0.00015523 -0.00007587
0.00964256 0.02106300 -0.01318714
23.29345631 -12.40829384 -8.67923686
0.00053181 -0.00046412 -0.00024304
-0.01133475 0.00213313 -0.01519438
20.01826486 -4.85201211 -2.67735242
0.00002823 -0.00006587 0.00039712
-0.01391001 -0.01164039 0.00602656
18.22688707 -6.93308725 -1.28885789
-0.00005257 0.00024946 0.00037038
0.02493164 0.01768415 -0.00397907
13.91152822 9.62133767 8.68647654
0.00040340 -0.00009754 0.00075695
-0.00082402 -0.00569861 0.00627472
15.08227155 7.66340783 10.56376283
0.00046231 -0.00047762 0.00077173
-0.00080662 0.00712465 0.00190744
3.02579465 -15.16937568 17.21304319
0.00010217 0.00050885 0.00007212
-0.02003864 -0.01690220 0.02880393
3.61149335 -12.12327957 17.15324341
-0.00114948 0.00010941 0.00000635
-0.00393825 -0.01000589 0.01476232
-2.69078545 -3.82163782 -12.59298972
0.00040152 0.00054693 0.00014926
-0.00162915 -0.01396155 0.01012210
-1.02380617 -1.41798738 -13.18362034
0.00070915 -0.00080062 -0.00050790
-0.01726786 -0.02020156 -0.01370560
16.21233527 -7.69016747 -14.88975507
-0.00032050 0.00064092 0.00017519
-0.01487504 0.00374285 0.01126311
16.67949547 -8.32450530 -12.05859233
-0.00003923 -0.00010386 -0.00092860
-0.01529209 0.01866404 -0.00704236
7.85812404 -3.82287669 6.29467104
0.00112188 0.00051033 -0.00103544
0.03056129 0.00464815 0.00037501
10.53268194 -4.21250118 5.12096561
-0.00018919 -0.00094632 -0.00061001
-0.00345434 0.00418117 0.01321889
-21.17818558 0.76808623 25.15857372
-0.00007996 -0.00072975 0.00033630
0.03866730 0.01369498 -0.00213627
-19.14203508 2.90049296 25.87901282
-0.00039639 -0.00012413 0.00047358
-0.00874341 0.01231522 0.01331731
25.36939663 -2.76734598 -7.20114934
-0.00037634 0.00059103 -0.00002569
-0.01816663 0.02154991 -0.01480212
23.61567621 -0.94954638 -9.12159659
-0.00103107 0.00042802 0.00019029
0.01867259 -0.00753775 0.00988983
11.72525425 -9.95649935 -9.51687634
0.00047181 -0.00047768 -0.00069608
0.00219353 -0.00883638 0.00744860
12.94850783 -9.43155647 -12.04123058
0.00057438 0.00006933 0.00000721
-0.00197779 0.00468112 -0.00600707
-7.36933831 -10.61589026 17.56570789
-0.00028518 -0.00042584 -0.00120206
-0.00939653 -0.00359699 -0.00005558
-10.27874577 -11.00070795 17.66287423
-0.00028198 0.00129317 0.00009013
0.00615720 0.00391608 -0.00154870
8.04886618 1.87151985 -29.27405182
0.00081587 -0.00088822 -0.00041671
0.00736273 -0.00593437 -0.01641586
5.37522461 0.68258478 -28.50165957
-0.00059801 -0.00018349 0.00066312
0.00984970 0.00789022 -0.00473655
14.26324639 19.31923239 13.58100391
-0.00120062 0.00006592 0.00030492
-0.01377234 -0.00676353 -0.00422267
13.05719354 17.80657460 11.45044443
-0.00020170 0.00028324 0.00045932
0.00502236 -0.00647736 -0.00901839
27.82382420 7.69191258 -11.65102202
0.00027467 0.00017713 0.00008614
-0.01681202 0.00057957 0.00737527
26.05415039 7.63223592 -9.23940401
-0.00047386 -0.00012501 -0.00042541
0.00883353 0.00214233 0.00341165
-7.89055275 4.70229594 6.10730011
0.00012683 0.00008099 0.00007896
-0.00055321 -0.00615208 0.00325552
-10.42830037 9.17314669 2.94974539
0.00020660 -0.00008313 0.00016113
0.01178168 -0.00383831 0.01224609
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.07618570
0.26865549
357.96996706
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0603924419
ExchangeOperator: pair fraction: ispin=0: 0.1496809086
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3542501705 (a.u.)
total exchange computation time: 2.8846940994 s
-154.0648277819
-931.34650465
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0603924419
ExchangeOperator: pair fraction: ispin=0: 0.1496809086
ExchangeOperator: bisection time: 1.422 s
total exchange = -52.3540563910 (a.u.)
total exchange computation time: 2.8855040073 s
-154.0673921842
Anderson extrapolation: theta=1.3456322415 (1.3456322415)
-931.34675225
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0603924419
ExchangeOperator: pair fraction: ispin=0: 0.1496809086
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3537386542 (a.u.)
total exchange computation time: 2.8866350651 s
-154.0711116289
Anderson extrapolation: theta=0.0525620891 (0.0525620891)
-931.34690055
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0603924419
ExchangeOperator: pair fraction: ispin=0: 0.1496809086
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3536720019 (a.u.)
total exchange computation time: 2.8849120140 s
-154.0716066174
Anderson extrapolation: theta=1.9721796441 (1.9721796441)
-931.34690653
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0603924419
ExchangeOperator: pair fraction: ispin=0: 0.1496809086
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3535197418 (a.u.)
total exchange computation time: 2.8847072124 s
-154.0726633316
Anderson extrapolation: theta=0.2293811691 (0.2293811691)
-931.34691333
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0603924419
ExchangeOperator: pair fraction: ispin=0: 0.1496809086
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.3534765371 (a.u.)
total exchange computation time: 2.8847229481 s
-154.0729059164
Anderson extrapolation: theta=1.8477511932 (1.8477511932)
-931.34691473
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0603924419
ExchangeOperator: pair fraction: ispin=0: 0.1496809086
ExchangeOperator: bisection time: 1.422 s
total exchange = -52.3534079741 (a.u.)
total exchange computation time: 2.8904361725 s
-154.0732319581
Anderson extrapolation: theta=0.2756174831 (0.2756174831)
-931.34691649
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0603924419
ExchangeOperator: pair fraction: ispin=0: 0.1496809086
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3534014836 (a.u.)
total exchange computation time: 2.8845541477 s
-154.0732028328
Anderson extrapolation: theta=1.2871594770 (1.2871594770)
-931.34691690
20.013642 -16.668256 -167.678284
562.473208 1074.715048 -405.291339
582.486850 1058.046791 -572.969623
1336.805196
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0603924419
ExchangeOperator: pair fraction: ispin=0: 0.1496809086
ExchangeOperator: bisection time: 1.422 s
total exchange = -52.3534029459 (a.u.)
total exchange computation time: 2.8862721920 s
678.60049334
-1083.35719909
89.80771302
-389.30021798
-174.74430355
78.01472492
551.60419304
0.00000000
-931.34691721
4.57481036 -30.88817534 -3.51095742
-0.00004736 -0.00015038 0.00010324
0.00821917 -0.00973098 -0.02835084
-11.85095988 2.08218140 -9.38177856
0.00035702 0.00009123 0.00019169
0.03640238 0.00217561 0.01245147
-36.20646068 1.34867762 3.11118975
-0.00000564 0.00029210 -0.00008923
-0.00401133 -0.04930265 0.02910680
-7.48372447 -3.53247408 2.59541894
0.00004075 0.00019722 0.00011686
0.02461426 0.00880973 0.01654936
2.26311582 0.10374755 8.97134173
-0.00004844 -0.00000078 0.00020113
-0.02264666 0.01981035 0.04069800
-31.02005030 1.44393972 2.67374729
-0.00020652 0.00008242 -0.00018001
0.05683082 -0.00948894 -0.00759625
16.92534295 13.21940706 -18.07933155
0.00003644 -0.00004160 -0.00036873
0.01218012 -0.02520402 0.02084122
-3.42324025 5.17751593 5.55328847
0.00001225 -0.00015332 -0.00014074
-0.00522547 -0.01410886 -0.02617788
5.80186990 17.11684822 -6.95303162
-0.00007781 -0.00015892 -0.00006604
-0.04264130 -0.03057862 -0.04444463
7.26421578 5.71392940 -20.99108502
0.00005325 0.00015231 0.00009905
-0.03518424 0.00634649 0.07204323
18.61733352 19.64513264 -5.13008514
0.00002499 0.00004573 -0.00001117
-0.00650928 0.00797200 0.03886751
1.96067449 13.93928499 -21.18886722
-0.00004353 0.00007827 -0.00012658
-0.00927500 0.02251419 -0.00111599
10.36990911 -5.32283465 0.40954214
0.00022674 0.00023644 0.00006848
-0.00022537 0.00834211 -0.03037058
-18.18094556 -4.08388855 5.34447337
0.00047655 -0.00044157 -0.00002409
0.01581278 0.01719580 -0.01332241
-14.25908516 -1.37126085 20.61998556
-0.00011736 0.00012598 0.00022534
0.00720531 0.00693036 -0.04330498
1.59919511 3.73485432 -3.97674408
0.00002422 0.00013282 -0.00024773
-0.00157534 -0.00929732 0.01582370
21.23377887 -10.65076157 -4.47130116
0.00008083 0.00005417 -0.00018139
0.04949913 0.03252581 0.02123883
3.06203046 -10.37770742 7.87149502
-0.00014287 -0.00013347 -0.00019039
-0.00606654 -0.01049930 0.00103584
-1.87488355 -1.81157270 -19.54621948
-0.00006177 0.00012424 -0.00026681
0.01626231 -0.01893321 -0.04229591
-0.35125125 3.56823201 -10.40932928
-0.00050969 0.00014310 -0.00029801
0.03117203 0.00332556 -0.03013789
-4.99773782 14.65439034 14.48340787
0.00008516 0.00009137 -0.00003735
-0.01935949 -0.01163094 -0.03581198
-5.41267841 2.71446949 -7.29594089
0.00021844 0.00024442 0.00018798
-0.01249512 0.00100495 0.01780756
-9.21815774 0.80046870 -4.10313704
-0.00018559 0.00024821 0.00035888
0.00744011 0.00675312 -0.00014731
2.90317421 27.48093094 5.84295633
-0.00007533 0.00009080 -0.00007308
-0.00938341 -0.00084789 -0.05626057
9.99184333 -10.78587820 -1.52449867
-0.00027859 -0.00022487 0.00009004
-0.03119354 0.01849272 -0.01309293
-6.78803477 1.00406527 9.25638611
0.00002306 0.00017504 0.00012520
0.03689694 0.00340213 -0.00783017
20.33369739 10.81653783 6.96547091
-0.00032843 -0.00004026 -0.00006340
0.03728298 0.00967437 0.00672407
-3.07805340 1.09264418 -23.83517675
-0.00017293 -0.00003605 -0.00006865
-0.03296996 0.02568539 -0.05995668
-13.73556911 8.80294676 8.59327602
0.00038809 -0.00002294 0.00015608
0.00501786 -0.00869674 0.02466942
-13.52098609 6.05984916 -3.34327360
-0.00023961 0.00000367 -0.00023922
-0.00053870 0.00858179 -0.01425075
-2.34071624 -15.39257487 20.55405471
-0.00015386 -0.00013882 -0.00010393
0.00530633 -0.01190915 -0.00345120
-6.00370019 7.66793834 -8.02567549
-0.00001208 0.00027291 0.00038556
0.00828481 0.00814523 -0.01361022
-19.71884685 30.40948403 0.98162400
0.00019470 -0.00013786 -0.00019747
-0.01467034 -0.02663135 -0.00255231
9.84326027 3.81004241 7.94603073
0.00003492 0.00008396 0.00016504
0.03250198 -0.01500999 0.02936241
7.20396003 16.03410421 -11.65495802
0.00013660 0.00026195 0.00018107
-0.00923269 0.01729685 -0.00130996
13.71197653 5.06573228 -1.22937254
-0.00039290 -0.00023784 -0.00019053
-0.00884952 -0.00438812 0.00990254
-6.06862605 11.47835151 -2.08033673
-0.00013157 0.00016958 0.00042299
0.00204012 0.00788241 0.02316420
7.85259577 12.63335107 5.26181544
-0.00010370 -0.00039025 0.00006455
0.01627708 0.01931717 -0.04337678
21.73076784 -11.98616099 -9.61621552
-0.00063225 0.00012717 0.00023102
0.00044289 -0.01947377 0.02675747
19.82547642 -5.93555986 -1.15971707
-0.00022181 0.00009977 0.00041876
-0.01380921 -0.00250922 0.00207150
14.75740485 8.01968537 8.78561579
0.00031472 0.00008322 0.00011208
0.01046699 -0.00894537 0.00299871
3.80473923 -13.78864441 16.42627164
0.00008305 0.00000267 -0.00003176
0.02573915 0.02796390 -0.04518990
-2.57552321 -2.41567740 -13.69192243
-0.00009255 0.00017766 0.00014034
0.01971363 0.03814801 -0.00069489
15.50235390 -7.36174048 -13.16247347
0.00005176 -0.00009461 -0.00001300
0.02243346 -0.02028433 -0.00076930
9.71851144 -3.70169206 6.70639795
0.00018291 -0.00015891 -0.00001894
-0.02217891 -0.00409101 -0.02485090
-19.39434558 1.41089986 24.88876867
0.00004195 0.00002582 -0.00011300
-0.03696817 -0.03221444 -0.01274370
24.26458688 -1.20582155 -7.40932486
-0.00023760 0.00013770 -0.00003965
0.00685640 -0.00896862 0.00848330
11.63498899 -10.48670720 -11.27006112
-0.00010651 0.00000614 -0.00020603
0.00442358 0.02020409 0.00356532
-8.87977782 -10.77229275 16.48382478
0.00021251 0.00017388 0.00001567
-0.02663276 -0.00144984 -0.02273330
6.87337675 1.59411389 -27.89452422
0.00027324 0.00003115 -0.00002264
-0.01346429 -0.00744866 0.01088442
12.63467052 18.71779519 12.94056397
0.00015038 -0.00029004 -0.00034605
0.00193996 0.01128299 0.01888545
26.03031734 7.54431214 -11.07275109
-0.00007435 0.00005700 0.00007634
0.02408986 -0.00323063 -0.01855078
5.20983918 -29.71422958 -4.80695027
-0.00015692 -0.00060128 -0.00054014
-0.00145819 -0.00210111 0.00551453
4.21057303 -29.87170087 -2.08918772
-0.00046454 0.00021055 -0.00015539
-0.00884466 0.00680779 0.02208115
-10.02250626 2.08548005 -8.85893812
-0.00023491 0.00067421 0.00010663
-0.03854096 -0.00003809 -0.01115569
-11.87251408 2.63762056 -11.14140989
0.00046336 -0.00039104 0.00023757
-0.00314990 0.00181832 -0.00010538
-36.91983272 2.89699021 2.51347326
0.00067451 0.00049082 0.00134522
-0.01057468 0.02527382 -0.00658649
-37.57900746 0.37331996 3.95272284
-0.00031397 -0.00047589 0.00051345
0.01622639 0.01537330 -0.01780891
-8.58083042 -4.20970083 1.35478403
0.00029637 0.00031813 -0.00008599
-0.02498758 -0.01292993 -0.01671266
-6.24867550 -4.84786030 2.89192229
-0.00012214 -0.00027827 -0.00037482
-0.00231391 -0.00137367 0.00338236
2.80504580 -0.05805407 7.29083881
0.00068814 -0.00045721 -0.00050016
0.00485818 0.00151284 -0.02854497
1.60450921 1.84029808 9.34072102
0.00013472 -0.00013661 0.00018185
0.01091691 -0.02689877 -0.01052935
-30.15860578 -0.23359436 2.48225266
0.00075359 0.00079589 0.00055090
-0.00184022 0.01950164 0.00584457
-32.67590924 0.89201498 2.81328663
0.00019599 0.00007455 -0.00025579
-0.05347290 -0.00437722 0.00639387
15.58132656 11.96450519 -18.34937217
-0.00056756 -0.00164140 -0.00044827
0.00774191 0.01023175 0.00150607
18.25495051 12.21649872 -17.00538481
-0.00018291 0.00068665 -0.00112227
-0.01894267 0.01725518 -0.01963506
-3.04357573 6.79346703 6.27409230
0.00011548 -0.00033806 -0.00016241
0.00574406 0.01199492 0.00067010
-3.03292647 5.26427422 3.73657360
-0.00002324 -0.00044316 0.00072879
0.00029939 0.00430426 0.02099518
5.79882554 16.53318889 -8.83942330
0.00032636 0.00022296 -0.00004676
0.00657519 0.00541706 0.03633238
7.18341354 18.18831777 -7.01796137
-0.00089344 -0.00030623 0.00039779
0.03903667 0.02700298 0.00652659
7.44688932 5.12878899 -22.62847839
0.00007714 -0.00117195 0.00018191
0.02149621 0.00489182 -0.05204909
8.54015231 6.85904284 -20.33409155
0.00020234 0.00051991 -0.00001752
0.00718567 -0.00092848 -0.01407752
19.22034902 21.08073585 -3.94908818
-0.00005573 -0.00041765 -0.00034609
-0.00517467 -0.01884475 -0.03101850
19.45139437 19.53287214 -6.70426344
-0.00046486 -0.00014164 -0.00064601
0.01763067 0.00962264 -0.00852747
1.56303964 12.33471310 -20.50293780
-0.00037681 0.00028066 -0.00019912
0.00569028 -0.02213888 0.00423400
0.30453115 14.53166690 -21.76711052
0.00110178 0.00101484 -0.00141675
0.00642323 0.00574196 -0.00058324
10.46446067 -6.83109593 -0.65331857
-0.00109154 -0.00062649 0.00100163
-0.00053191 0.00135361 0.00710741
9.75512021 -3.99572207 -0.83911898
0.00001255 -0.00109776 0.00064103
-0.00143758 -0.01222598 0.02322512
-18.23488545 -5.05072128 6.83893183
0.00035941 -0.00040914 -0.00007728
-0.00670868 -0.01733515 0.01868242
-18.68796855 -5.16201051 3.97078873
0.00016919 0.00059132 -0.00021143
-0.00571822 -0.00444684 -0.00272012
-14.33267334 -0.16235922 19.08178945
0.00012727 0.00014947 -0.00026003
-0.00393945 -0.01807429 0.03451160
-14.12303628 -0.48378170 22.20272258
-0.00044985 -0.00014219 -0.00000933
-0.00346444 0.01233314 0.00347737
1.25083447 3.08966319 -2.27741712
-0.00045377 -0.00145768 -0.00044864
0.00481695 0.00594346 -0.00839543
2.06543687 2.18565224 -4.82881831
-0.00016357 0.00067631 -0.00015047
-0.00253040 0.00114743 -0.00759598
21.89667274 -10.57895655 -6.17722493
-0.00094409 -0.00005819 0.00084659
-0.01715089 -0.00147021 -0.00450067
22.73713370 -9.77332880 -3.60973330
-0.00037006 -0.00054328 0.00003990
-0.03685604 -0.02124704 -0.01040586
4.63496957 -10.37088096 6.95461124
0.00101544 -0.00021725 -0.00059085
0.00654586 -0.00061901 -0.00049899
3.15324520 -11.84734301 9.01942852
0.00079785 -0.00006734 0.00003202
0.00028354 0.01154152 -0.00392027
-2.08728641 -3.23140907 -20.80091082
-0.00029762 -0.00005272 -0.00027950
0.00591724 0.01531464 0.02024863
-3.41837198 -1.78569747 -18.67665421
0.00010570 -0.00066200 0.00022304
-0.02185137 -0.00003906 0.01962507
0.48800952 5.01828517 -9.77042308
0.00068122 0.00019068 -0.00036493
0.02564566 0.01697968 -0.01275133
-1.50461363 3.54306000 -9.13264365
0.00111955 -0.00027425 0.00037750
-0.05793175 -0.01884525 0.04284878
-3.77323013 15.28738919 15.55442216
0.00002419 0.00105155 -0.00007136
0.03007464 0.01159247 0.02766877
-6.56467318 14.89603025 15.34208247
-0.00083539 0.00057077 -0.00094989
-0.01005690 -0.00138175 0.00320493
-6.79512343 1.95757948 -6.31343526
-0.00018510 -0.00014747 0.00016857
0.00542867 0.00443229 0.00409423
-4.85989136 1.33937333 -8.28409251
0.00010849 0.00011900 0.00021710
0.00582250 -0.01305664 -0.01724553
-10.09438433 -0.65712039 -3.53011197
0.00072060 -0.00019751 -0.00102493
-0.00618255 -0.01290991 -0.00026042
-9.54337291 2.06962763 -2.81300981
-0.00015074 -0.00038995 -0.00058090
0.00520546 0.00938000 -0.00385368
3.06214989 29.08039297 4.97149887
0.00061751 -0.00061280 -0.00039679
-0.00426964 -0.00193884 -0.00527508
3.32329342 27.83721001 7.47256543
-0.00042184 -0.00099748 0.00033446
0.01380942 0.01040507 0.06510341
8.22001942 -10.61001522 -0.99419645
0.00072906 -0.00100942 0.00035021
0.01110388 0.00001101 -0.01349515
10.83058347 -11.04136856 0.06954298
-0.00053055 -0.00002039 0.00043714
0.00844310 -0.01065892 0.00999052
-5.19044106 0.02806388 8.78279486
-0.00003790 -0.00061127 -0.00049686
-0.03800689 0.00715567 0.00872795
-8.25882380 -0.03719833 9.18283303
-0.00032557 -0.00023747 -0.00045998
0.00031673 -0.01343746 -0.00220658
20.34931309 11.07002774 8.86224618
-0.00009070 -0.00015662 -0.00027290
0.00987887 -0.00758314 -0.03744609
22.20178406 11.14437692 6.33219986
0.00005929 -0.00076322 0.00010416
-0.04681632 -0.00560678 0.03463042
-2.87670313 0.17718380 -22.37182163
-0.00005957 -0.00100823 -0.00131396
0.00938624 -0.02980739 0.05561953
-4.92530828 1.15701929 -24.14784854
0.00142425 0.00043879 0.00025936
0.02138079 0.00360625 0.00436819
-12.57891156 9.73143146 9.80792007
0.00038774 0.00076300 -0.00022215
-0.01285385 -0.01007058 -0.02326859
-13.52538126 9.62866398 6.99123251
0.00027629 -0.00078533 0.00038627
-0.00118262 0.00573296 0.00133401
-14.26221744 4.91691599 -4.58145186
-0.00103562 -0.00022691 0.00074359
-0.00075023 0.00472797 0.00135288
-13.97606001 7.79440196 -3.80786953
0.00109330 -0.00061811 -0.00065385
0.00122230 -0.01750598 0.00212205
-4.12252627 -15.58843317 20.22047832
-0.00089920 -0.00001325 0.00029416
-0.00019197 -0.00236188 0.00136296
-1.51931480 -16.70858414 19.53297137
-0.00017466 -0.00008094 0.00012242
-0.01186502 0.01271496 0.00447277
-5.61250248 5.98859410 -7.46980466
0.00132195 0.00057022 -0.00042616
-0.00350809 -0.01097577 0.00009506
-7.41650344 8.27043756 -7.05090918
-0.00033525 0.00028609 0.00021924
-0.00332284 0.00937476 0.00453842
-21.12586746 29.24923014 0.47296163
0.00072245 -0.00090678 0.00105619
0.02289410 0.02454485 0.00797980
-18.16142129 29.39200565 0.91215103
0.00015803 -0.00005100 -0.00137245
-0.00777650 0.00611809 0.00018047
9.37987120 2.80163053 6.58006217
-0.00034400 -0.00053479 -0.00061228
-0.01606570 -0.01964584 -0.03102073
9.10138953 5.41987039 7.82950834
-0.00025785 0.00020784 -0.00072971
-0.01379066 0.03420522 -0.00023929
8.02913152 17.53048299 -12.31599752
-0.00098196 0.00016537 0.00002357
-0.00147972 0.00228029 0.00295503
8.46648583 14.82181942 -12.05839115
0.00028110 0.00031474 -0.00073699
0.00763431 -0.02194828 -0.00051283
12.08123173 5.91498939 -1.13495829
0.00087220 -0.00071080 0.00050025
0.00803821 0.00126870 -0.00896806
13.69521342 4.08992328 0.34288560
-0.00056444 -0.00071239 0.00033366
0.00488680 -0.00048379 -0.00277954
-4.23692993 11.16581052 -2.05046697
0.00025979 -0.00054880 -0.00015709
-0.01523200 -0.01157131 0.00887295
-7.19611344 10.76289472 -0.74193756
-0.00060889 0.00054071 -0.00003739
0.03606804 0.00392742 -0.01613737
7.35092026 14.32486741 4.64519763
0.00002792 0.00068834 0.00032992
0.00561934 -0.01930787 0.00850754
9.14452323 12.05695402 3.93388242
-0.00046897 0.00036998 0.00103907
-0.02399715 0.00715878 0.03061751
20.47410110 -13.11758062 -8.80218734
0.00051382 0.00023431 -0.00012474
0.00550318 0.01764889 -0.01073139
23.30108618 -12.41519024 -8.68334802
0.00047557 -0.00045196 -0.00031012
-0.01619707 0.00381779 -0.01764147
20.01826200 -4.85335685 -2.67121090
-0.00002852 -0.00011310 0.00042106
-0.01386786 -0.01147944 0.00568821
18.22686246 -6.92880347 -1.28342415
0.00004623 0.00031917 0.00035399
0.02343317 0.01644065 -0.00404466
13.91755390 9.61969998 8.69802310
0.00039804 -0.00011719 0.00078217
-0.00179570 -0.00392041 0.00606916
15.08918142 7.65646183 10.57539717
0.00045731 -0.00044639 0.00076925
-0.00163980 0.00816429 -0.00312181
3.02671317 -15.16226090 17.21500757
0.00001788 0.00043504 0.00019167
-0.02122377 -0.01922815 0.02971677
3.59413052 -12.12194501 17.15379109
-0.00116416 0.00006548 0.00006449
-0.00324799 -0.01149941 0.01369489
-2.68481253 -3.81386176 -12.59044058
0.00039363 0.00048503 0.00019347
-0.00223524 -0.01633672 0.01151493
-1.01369812 -1.43061574 -13.19165879
0.00063869 -0.00088054 -0.00056394
-0.01721962 -0.01892097 -0.01372947
16.20707195 -7.68043895 -14.88678207
-0.00037944 0.00065489 0.00021630
-0.01397755 0.00309650 0.00886171
16.67843847 -8.32549128 -12.07273715
-0.00009645 -0.00003167 -0.00095204
-0.01271713 0.01667312 -0.00443205
7.87588879 -3.81507926 6.27915094
0.00123637 0.00052894 -0.00103287
0.02548080 0.00446035 0.00088050
10.52973821 -4.22656785 5.11222047
-0.00020403 -0.00092661 -0.00054929
-0.00380790 0.00546460 0.01650500
-21.17820015 0.75755966 25.16355279
0.00008126 -0.00067219 0.00032636
0.04025291 0.01447824 -0.00272992
-19.14824882 2.89900836 25.88652454
-0.00043208 -0.00007556 0.00052667
-0.00872838 0.01146123 0.01267498
25.36319478 -2.75782024 -7.20198831
-0.00044824 0.00067445 -0.00008648
-0.01702830 0.01928846 -0.01495507
23.60078233 -0.94335709 -9.11843921
-0.00095365 0.00039642 0.00023152
0.01922500 -0.00793131 0.01029501
11.73239859 -9.96393535 -9.52708932
0.00048018 -0.00051164 -0.00065680
0.00190206 -0.00778838 0.01177803
12.95706288 -9.43037303 -12.04130652
0.00056207 0.00008517 -0.00001615
-0.00404913 0.00307112 -0.00542898
-7.37390399 -10.62238809 17.54767527
-0.00031204 -0.00043867 -0.00119314
-0.00374891 -0.00268534 0.00442118
-10.28278684 -10.98119035 17.66417868
-0.00025281 0.00130908 0.00008177
0.00812406 0.00387179 -0.00254173
8.06132989 1.85801476 -29.28080550
0.00084056 -0.00091320 -0.00047869
0.00471996 -0.00629348 -0.01392522
5.36655631 0.68007422 -28.49185789
-0.00055063 -0.00014735 0.00064528
0.01334416 0.00980091 -0.00399628
14.24481509 19.32001390 13.58544833
-0.00124541 0.00004195 0.00029075
-0.00815556 -0.00497087 -0.00271201
13.05432187 17.81062466 11.45705787
-0.00017619 0.00024828 0.00040831
0.00746929 -0.01063271 -0.01595150
27.82742912 7.69458723 -11.64950388
0.00020263 0.00017903 0.00011752
-0.01845467 0.00035283 0.00798545
26.04731321 7.63042649 -9.24568067
-0.00043696 -0.00011597 -0.00040393
0.00922572 0.00228004 0.00710317
-7.88865176 4.70349434 6.10849318
0.00012662 0.00007881 0.00008013
-0.00060844 -0.00605118 0.00332232
-10.42518082 9.17189304 2.95218360
0.00020933 -0.00008401 0.00016396
0.01174214 -0.00375273 0.01220219
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.07618599
0.27073122
360.73577249
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0602470930
ExchangeOperator: pair fraction: ispin=0: 0.1489886425
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3642279258 (a.u.)
total exchange computation time: 2.8569839001 s
-154.1011700121
-931.34915422
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0602470930
ExchangeOperator: pair fraction: ispin=0: 0.1489886425
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.3639787735 (a.u.)
total exchange computation time: 2.8574538231 s
-154.1043853433
Anderson extrapolation: theta=1.3511730836 (1.3511730836)
-931.34940536
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0602470930
ExchangeOperator: pair fraction: ispin=0: 0.1489886425
ExchangeOperator: bisection time: 1.422 s
total exchange = -52.3636023982 (a.u.)
total exchange computation time: 2.8593521118 s
-154.1089160087
Anderson extrapolation: theta=0.0547273055 (0.0547273055)
-931.34955746
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0602470930
ExchangeOperator: pair fraction: ispin=0: 0.1489886425
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.3635475341 (a.u.)
total exchange computation time: 2.8569929600 s
-154.1093868814
Anderson extrapolation: theta=2.0140432866 (2.0000000000)
-931.34956420
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0602470930
ExchangeOperator: pair fraction: ispin=0: 0.1489886425
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.3634277252 (a.u.)
total exchange computation time: 2.8575711250 s
-154.1103523024
Anderson extrapolation: theta=0.2436099442 (0.2436099442)
-931.34957249
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0602470930
ExchangeOperator: pair fraction: ispin=0: 0.1489886425
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.3633989682 (a.u.)
total exchange computation time: 2.8598251343 s
-154.1105402760
Anderson extrapolation: theta=1.8022180689 (1.8022180689)
-931.34957441
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0602470930
ExchangeOperator: pair fraction: ispin=0: 0.1489886425
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.3633624770 (a.u.)
total exchange computation time: 2.8574590683 s
-154.1107319714
Anderson extrapolation: theta=0.2932637646 (0.2932637646)
-931.34957697
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0602470930
ExchangeOperator: pair fraction: ispin=0: 0.1489886425
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3633669231 (a.u.)
total exchange computation time: 2.8574090004 s
-154.1106511496
Anderson extrapolation: theta=1.2573087149 (1.2573087149)
-931.34957764
20.053937 -16.703017 -167.681752
562.452745 1074.682489 -405.333012
582.506682 1057.979472 -573.014765
1336.779906
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0602470930
ExchangeOperator: pair fraction: ispin=0: 0.1489886425
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.3633831552 (a.u.)
total exchange computation time: 2.8560929298 s
678.75642701
-1083.68312976
89.79139110
-389.08001378
-174.77086963
78.19256382
551.60419304
0.00000000
-931.34957822
4.57413167 -30.89046863 -3.50951818
-0.00004316 -0.00015520 0.00008873
0.00813117 -0.00899506 -0.02807005
-11.84546412 2.08355822 -9.37885516
0.00037483 0.00009226 0.00019808
0.03283028 0.00184127 0.01238429
-36.20656076 1.35286896 3.10996362
-0.00000806 0.00026506 -0.00007324
-0.00538590 -0.05585351 0.03304055
-7.48301827 -3.52948183 2.59723564
0.00005362 0.00020138 0.00012536
0.02541870 0.00739249 0.01653325
2.26230189 0.10381225 8.97451565
-0.00005921 0.00000868 0.00021979
-0.01922880 0.01696921 0.03188249
-31.02292895 1.44513944 2.67101779
-0.00017671 0.00007830 -0.00018384
0.05909886 -0.00653175 -0.00727081
16.92593649 13.21868589 -18.08478217
0.00004026 -0.00005574 -0.00035898
0.00268237 -0.02981152 0.01710492
-3.42307659 5.17516170 5.55107639
0.00000918 -0.00016084 -0.00015271
-0.00673802 -0.01513642 -0.02036177
5.80053832 17.11434647 -6.95419370
-0.00010097 -0.00017559 -0.00008874
-0.04741731 -0.03423783 -0.04380582
7.26487875 5.71623855 -20.98932141
0.00003559 0.00015559 0.00013516
-0.03347092 0.00639318 0.06839696
18.61768326 19.64584934 -5.13010272
0.00002178 0.00004915 0.00000765
-0.00598934 0.00532659 0.03431049
1.95998573 13.94054583 -21.19077017
-0.00004748 0.00009000 -0.00012715
-0.00607448 0.02313023 -0.00110791
10.37330940 -5.31925580 0.41045217
0.00022703 0.00023929 0.00005389
0.00133951 0.00274120 -0.02636175
-18.17373629 -4.09044583 5.34406058
0.00048494 -0.00043215 -0.00003039
0.01679175 0.01945460 -0.01117070
-14.26081771 -1.36934446 20.62319866
-0.00011375 0.00012934 0.00020221
0.00682976 0.00614586 -0.04665445
1.59955233 3.73681069 -3.98039907
0.00002297 0.00012834 -0.00023830
-0.00327669 -0.00810207 0.02085082
21.23518224 -10.64982358 -4.47394014
0.00010471 0.00007040 -0.00016824
0.04336769 0.03059243 0.02990009
3.05986399 -10.37974993 7.86864320
-0.00014378 -0.00013904 -0.00019088
0.00251761 -0.01117013 -0.00295661
-1.87574733 -1.80978216 -19.55038473
-0.00005381 0.00011434 -0.00028848
0.01467213 -0.01955038 -0.04198914
-0.35877642 3.57039128 -10.41391566
-0.00049228 0.00014594 -0.00031412
0.03656202 0.00774176 -0.03253183
-4.99653505 14.65571605 14.48270952
0.00007513 0.00008573 -0.00005488
-0.01964845 -0.01032731 -0.03235687
-5.40944994 2.71813971 -7.29305248
0.00021157 0.00024442 0.00019740
-0.01424591 -0.00102509 0.01881382
-9.22091293 0.80421785 -4.09775442
-0.00018076 0.00025109 0.00035675
0.01136141 0.00444308 -0.00812867
2.90200801 27.48228961 5.84164318
-0.00008009 0.00008959 -0.00010115
-0.00909609 -0.00382601 -0.05292082
9.98754421 -10.78917995 -1.52319859
-0.00029279 -0.00021555 0.00008338
-0.02405384 0.01774333 -0.01280420
-6.78754648 1.00670392 9.25823389
0.00004144 0.00017558 0.00012090
0.03455908 -0.00130011 -0.00889168
20.32891480 10.81597125 6.96454586
-0.00030897 -0.00003542 -0.00006028
0.03838250 0.00912706 0.00540349
-3.08077458 1.09220254 -23.83643773
-0.00018720 -0.00002236 -0.00009962
-0.02249041 0.02755721 -0.06048591
-13.72972837 8.80256917 8.59571235
0.00039053 -0.00002775 0.00016972
0.00447336 -0.01001992 0.02836547
-13.52458226 6.05993736 -3.34691689
-0.00023932 0.00000681 -0.00024590
0.00163853 0.00362989 -0.01172919
-2.34300368 -15.39470309 20.55248239
-0.00015251 -0.00014471 -0.00010564
-0.00006924 -0.01098052 -0.00317169
-6.00384944 7.67206347 -8.01994457
-0.00000809 0.00027779 0.00037833
0.00723724 0.01081436 -0.01449427
-19.71598295 30.40731342 0.97865206
0.00018748 -0.00015147 -0.00019867
-0.01341758 -0.02630240 -0.00208176
9.84390943 3.81124387 7.94861964
0.00005050 0.00007545 0.00017791
0.02808899 -0.01808138 0.02068226
7.20597336 16.03810019 -11.65224704
0.00013187 0.00026953 0.00018055
-0.00915953 0.01219757 -0.00072391
13.70604885 5.06214776 -1.23219222
-0.00039529 -0.00024187 -0.00018437
-0.00043079 -0.01128607 0.01402460
-6.07059178 11.48092563 -2.07390249
-0.00012962 0.00017373 0.00043441
0.00554525 0.00825594 0.02123839
7.85110311 12.62757180 5.26261634
-0.00009665 -0.00037851 0.00004293
0.01110417 0.02634453 -0.04069260
21.72128585 -11.98432857 -9.61264706
-0.00062971 0.00011784 0.00024456
0.00940931 -0.01681074 0.02589302
19.82209598 -5.93407304 -1.15342764
-0.00022835 0.00009878 0.00041992
-0.01162126 -0.00130828 0.00241898
14.76216596 8.02089912 8.78730850
0.00032057 0.00007789 0.00011490
0.01230059 -0.01177552 0.00798937
3.80608428 -13.78849654 16.42562085
0.00009621 0.00001768 -0.00005477
0.02542474 0.03042162 -0.04427475
-2.57683546 -2.41286530 -13.68982002
-0.00008244 0.00019732 0.00013970
0.01961166 0.03828029 -0.00178211
15.50321687 -7.36323782 -13.16267142
0.00006232 -0.00010434 -0.00001344
0.01863643 -0.01757617 -0.00092793
9.72116951 -3.70409146 6.70601799
0.00017307 -0.00016125 -0.00003250
-0.01608456 -0.00503216 -0.02789490
-19.39385886 1.41116288 24.88702456
0.00002277 0.00000950 -0.00011916
-0.03763452 -0.03126025 -0.01122186
24.26104932 -1.20379057 -7.40988683
-0.00023459 0.00013386 -0.00003530
0.00485246 -0.00597125 0.00843777
11.63340839 -10.48653710 -11.27313787
-0.00010362 0.00001675 -0.00020545
0.00680857 0.02103976 -0.00130001
-8.87669284 -10.76969016 16.48397212
0.00019683 0.00017298 0.00000308
-0.03434585 -0.00206090 -0.02623440
6.87742348 1.59455245 -27.89482181
0.00026625 0.00002703 -0.00001790
-0.01373476 -0.00858439 0.00754686
12.63693375 18.71348816 12.93544603
0.00014921 -0.00028374 -0.00033509
-0.00648215 0.01321854 0.02373975
26.02929495 7.54515472 -11.07167752
-0.00006170 0.00005532 0.00006578
0.02512195 -0.00333319 -0.02252350
5.20744073 -29.72331312 -4.81488336
-0.00016354 -0.00061023 -0.00051555
-0.00178531 -0.00227940 0.00651962
4.20333385 -29.86833399 -2.09084189
-0.00049973 0.00023731 -0.00006777
-0.00837720 0.00628929 0.02080598
-10.02721088 2.09559199 -8.85768050
-0.00038422 0.00067364 0.00006387
-0.03454662 -0.00023738 -0.00977679
-11.86566017 2.63181065 -11.13784951
0.00044957 -0.00038251 0.00023465
-0.00360144 0.00235951 -0.00132779
-36.91003911 2.90512691 2.53344969
0.00062688 0.00060069 0.00131571
-0.01273864 0.02851281 -0.00785952
-37.58321984 0.36665269 3.95987884
-0.00024075 -0.00040645 0.00043539
0.01961786 0.01862076 -0.02040307
-8.57715051 -4.20532515 1.35298198
0.00019414 0.00026631 -0.00015432
-0.02505597 -0.01243633 -0.01673197
-6.25057853 -4.85207646 2.88640359
-0.00013262 -0.00028211 -0.00036075
-0.00281350 -0.00050590 0.00350826
2.81551684 -0.06486592 7.28246163
0.00070220 -0.00044876 -0.00059901
0.00202344 0.00262563 -0.01983988
1.60686456 1.83742463 9.34312609
0.00017803 -0.00024349 0.00013879
0.01028498 -0.02541829 -0.01054731
-30.14735828 -0.22105837 2.49069523
0.00074566 0.00087237 0.00057379
-0.00204445 0.01793596 0.00536153
-32.67460793 0.89299906 2.80964572
-0.00002690 0.00005385 -0.00022958
-0.05563474 -0.00575496 0.00643481
15.57305039 11.94019774 -18.35605011
-0.00052173 -0.00158587 -0.00043920
0.01469170 0.01694836 0.00293470
18.25162646 12.22732720 -17.02282047
-0.00025617 0.00075335 -0.00119834
-0.01692150 0.01539543 -0.01760270
-3.04166753 6.78876371 6.27167669
0.00013927 -0.00028735 -0.00015864
0.00590260 0.01282858 0.00117574
-3.03326594 5.25775876 3.74814879
-0.00001926 -0.00042508 0.00080171
0.00164962 0.00454632 0.01469985
5.80392239 16.53669924 -8.83901142
0.00035244 0.00024395 0.00010022
0.00619144 0.00486132 0.03561908
7.17120811 18.18455171 -7.01179446
-0.00072351 -0.00018746 0.00042491
0.04414648 0.03113997 0.00674807
7.44870519 5.11135965 -22.62734472
0.00016450 -0.00114868 -0.00002100
0.02126402 0.00650092 -0.04727465
8.54340753 6.86681309 -20.33478569
0.00022919 0.00051323 -0.00007723
0.00595943 -0.00234409 -0.01515462
19.21935450 21.07389363 -3.95523010
-0.00007498 -0.00049016 -0.00047055
-0.00424584 -0.01664739 -0.02990395
19.44496180 19.53104237 -6.71421493
-0.00039612 -0.00010152 -0.00067441
0.01601373 0.01001936 -0.00537586
1.55756187 12.33824462 -20.50579485
-0.00035567 0.00018969 -0.00018173
0.00465726 -0.02239222 0.00427722
0.32125476 14.54706549 -21.78837967
0.00112313 0.00103751 -0.00141889
0.00402346 0.00535518 -0.00046447
10.44807131 -6.84045179 -0.63807631
-0.00109325 -0.00061946 0.00103118
-0.00030604 0.00208916 0.00735747
9.75526446 -4.01256316 -0.82879183
0.00000318 -0.00113812 0.00072726
-0.00314897 -0.00752999 0.01898431
-18.22969984 -5.05738955 6.83834516
0.00033181 -0.00048051 -0.00000174
-0.00680328 -0.01760411 0.01829325
-18.68560589 -5.15327702 3.96753395
0.00014395 0.00056911 -0.00022623
-0.00663721 -0.00642374 -0.00452730
-14.33088508 -0.16067103 19.07894659
0.00011093 0.00007452 -0.00011641
-0.00405533 -0.01861202 0.03579169
-14.12989022 -0.48553657 22.20268924
-0.00046350 -0.00008890 0.00000861
-0.00321644 0.01375056 0.00530139
1.24417555 3.06798016 -2.28440404
-0.00043357 -0.00142916 -0.00048736
0.00507028 0.00801353 -0.01055628
2.06290585 2.19583203 -4.83130807
-0.00017114 0.00067423 -0.00018724
-0.00117915 -0.00216556 -0.01040603
21.88198585 -10.57987445 -6.16466395
-0.00100627 -0.00006335 0.00080862
-0.01328706 -0.00105567 -0.01408553
22.73045338 -9.78212915 -3.60945372
-0.00051584 -0.00062718 -0.00000075
-0.03450042 -0.01982172 -0.00949052
4.65040177 -10.37415864 6.94573319
0.00102589 -0.00021935 -0.00058423
-0.00143053 -0.00040786 0.00374155
3.16522158 -11.84799937 9.01978866
0.00079761 -0.00001913 0.00001528
-0.00039946 0.01205550 -0.00427466
-2.09156932 -3.23173059 -20.80448277
-0.00027268 0.00001038 -0.00019619
0.00629121 0.01557099 0.02053001
-3.41745608 -1.79562873 -18.67270719
0.00001917 -0.00066191 0.00030217
-0.02050467 0.00008383 0.01910822
0.49901366 5.02166568 -9.77628785
0.00077996 0.00025123 -0.00042082
0.02268939 0.01266162 -0.01460678
-1.48959560 3.53836872 -9.12566813
0.00087798 -0.00035148 0.00056131
-0.06032032 -0.01895961 0.04712498
-3.77194574 15.30351768 15.55419958
0.00013978 0.00109673 0.00003754
0.02650860 0.01052215 0.02563861
-6.57751222 14.90454946 15.32793240
-0.00086862 0.00056459 -0.00093928
-0.00620772 -0.00164527 0.00198590
-6.79773358 1.95550324 -6.31078123
-0.00015889 -0.00012639 0.00018274
0.00740272 0.00588889 0.00284044
-4.85808566 1.34075818 -8.28136446
0.00013204 0.00006712 0.00014724
0.00570768 -0.01233704 -0.01695112
-10.08376473 -0.66047868 -3.54549395
0.00069117 -0.00025578 -0.00102235
-0.00822307 -0.01561274 0.00152588
-9.54547443 2.06406581 -2.82184147
-0.00013341 -0.00034189 -0.00058452
0.00327382 0.01414591 0.00208462
3.07128164 29.07114149 4.96538543
0.00060124 -0.00061459 -0.00041921
-0.00369165 0.00106508 -0.00570244
3.31738893 27.82256672 7.47957733
-0.00036705 -0.00095488 0.00059427
0.01301193 0.01044750 0.06207323
8.23129563 -10.62515618 -0.98935677
0.00075948 -0.00100791 0.00029748
0.00378565 0.00072824 -0.01231746
10.82288395 -11.04200103 0.07640618
-0.00049529 -0.00006397 0.00047505
0.00881708 -0.01067598 0.00856809
-5.19217425 0.01911410 8.77560946
-0.00019521 -0.00057863 -0.00045947
-0.03899399 0.00882238 0.00957375
-8.26369765 -0.04117210 9.17586578
-0.00031727 -0.00028616 -0.00046842
0.00374808 -0.01040003 -0.00192532
20.34825527 11.06744610 8.85700520
-0.00005082 -0.00018734 -0.00042243
0.00964491 -0.00745547 -0.03574733
22.20123888 11.13275677 6.33482348
-0.00013287 -0.00078556 0.00024522
-0.04725053 -0.00532893 0.03441845
-2.87730910 0.16114698 -22.38982666
-0.00001996 -0.00113431 -0.00108071
0.01000240 -0.03190925 0.05855648
-4.90328930 1.16371168 -24.14382424
0.00148921 0.00045459 0.00027304
0.01041782 0.00412864 0.00232541
-12.57348936 9.74256786 9.80387485
0.00033494 0.00072060 -0.00031666
-0.01299313 -0.01068555 -0.02299602
-13.52127314 9.61705976 6.99706745
0.00027226 -0.00075827 0.00038340
-0.00078904 0.00751092 -0.00274038
-14.27777479 4.91365724 -4.57025653
-0.00103960 -0.00020932 0.00074635
-0.00119687 0.00388014 -0.00000284
-13.95962305 7.78459391 -3.81761221
0.00109468 -0.00067845 -0.00064796
-0.00054551 -0.01203473 0.00075812
-4.13602016 -15.58870429 20.22493249
-0.00088965 -0.00002252 0.00030094
0.00486868 -0.00217566 0.00195773
-1.52229832 -16.70940866 19.53494477
-0.00022264 -0.00003105 0.00013902
-0.01162055 0.01170918 0.00364924
-5.59278071 5.99681104 -7.47619410
0.00130633 0.00052270 -0.00042319
-0.00413727 -0.01228290 0.00135645
-7.42163394 8.27501616 -7.04748154
-0.00034611 0.00032107 0.00023691
-0.00199379 0.00774693 0.00411452
-21.11432915 29.23638058 0.48904904
0.00081174 -0.00080785 0.00108691
0.02081471 0.02388380 0.00705748
-18.15928920 29.39142816 0.89156987
0.00012785 -0.00002540 -0.00137065
-0.00699461 0.00641353 0.00070061
9.37421894 2.79300665 6.56992740
-0.00040340 -0.00060318 -0.00072228
-0.01301286 -0.01382838 -0.02282683
9.09709925 5.42403610 7.81855533
-0.00031098 0.00034149 -0.00072951
-0.01222064 0.03121708 0.00033751
8.01435674 17.53303344 -12.31555347
-0.00098438 0.00018088 0.00003290
0.00029730 0.00531136 0.00161511
8.47093629 14.82586802 -12.06946165
0.00030854 0.00022935 -0.00073782
0.00579494 -0.01985513 0.00010222
12.09456099 5.90436630 -1.12772935
0.00088707 -0.00069537 0.00046371
-0.00075532 0.00628126 -0.00891796
13.68689657 4.07922264 0.34780538
-0.00054331 -0.00071023 0.00031414
0.00545847 0.00154169 -0.00677667
-4.23349986 11.15722391 -2.05255146
0.00019073 -0.00059501 -0.00011998
-0.01857391 -0.01104961 0.00929349
-7.20414160 10.77112570 -0.74299290
-0.00046209 0.00055481 -0.00010067
0.03579206 0.00297764 -0.01484104
7.35151119 14.33460087 4.65040711
0.00005335 0.00059951 0.00036794
0.00682861 -0.02417740 0.01010582
9.13675339 12.06272303 3.95040670
-0.00055921 0.00039537 0.00115536
-0.02017567 0.00527055 0.02630811
20.48197704 -13.11352515 -8.80438721
0.00052676 0.00029821 -0.00016276
0.00082994 0.01362896 -0.00788364
23.30772338 -12.42185266 -8.68854036
0.00040077 -0.00043325 -0.00038621
-0.02041759 0.00534312 -0.01960630
20.01740922 -4.85540513 -2.66472077
-0.00008488 -0.00015923 0.00044317
-0.01372090 -0.01110158 0.00513951
18.22827397 -6.92351210 -1.27823828
0.00013757 0.00038293 0.00033733
0.02127794 0.01476707 -0.00410673
13.92346953 9.61782203 8.70994161
0.00038865 -0.00012947 0.00080652
-0.00280318 -0.00209343 0.00584943
15.09599078 7.65001618 10.58684018
0.00044908 -0.00041109 0.00074697
-0.00238738 0.00911644 -0.00778074
3.02633096 -15.15632455 17.21879318
-0.00006968 0.00035424 0.00031328
-0.02163664 -0.02032405 0.02981499
3.57656864 -12.12131521 17.15517808
-0.00117589 0.00001581 0.00011820
-0.00249505 -0.01281241 0.01259576
-2.67897659 -3.80708692 -12.58718573
0.00038341 0.00041489 0.00024225
-0.00276874 -0.01799887 0.01236271
-1.00464540 -1.44440370 -13.20053867
0.00056943 -0.00095455 -0.00061971
-0.01668400 -0.01730730 -0.01356771
16.20095199 -7.67052066 -14.88326597
-0.00043439 0.00066613 0.00024697
-0.01292139 0.00240299 0.00614771
16.67660209 -8.32545544 -12.08715359
-0.00014291 0.00003183 -0.00096549
-0.01002491 0.01441233 -0.00215314
7.89521516 -3.80700846 6.26368480
0.00132841 0.00054681 -0.00102872
0.01957269 0.00428707 0.00115151
10.52656112 -4.24029961 5.10448686
-0.00021966 -0.00090195 -0.00047614
-0.00384660 0.00660665 0.01930508
-21.17574776 0.74792041 25.16836456
0.00024692 -0.00061220 0.00031421
0.04083987 0.01489019 -0.00321789
-19.15499749 2.89822618 25.89481306
-0.00046775 -0.00003153 0.00057638
-0.00873412 0.01009259 0.01165637
25.35594933 -2.74711238 -7.20374381
-0.00051463 0.00074753 -0.00014758
-0.01547003 0.01648412 -0.01495266
23.58706667 -0.93765388 -9.11465088
-0.00087437 0.00036346 0.00027362
0.01958499 -0.00820035 0.01031184
11.73965950 -9.97184868 -9.53658046
0.00048748 -0.00054142 -0.00060018
0.00167566 -0.00678542 0.01593936
12.96536978 -9.42900137 -12.04171519
0.00054134 0.00009457 -0.00003712
-0.00609588 0.00152916 -0.00483498
-7.37869942 -10.62905049 17.52991361
-0.00031498 -0.00044781 -0.00116563
0.00230725 -0.00178421 0.00904530
-10.28633001 -10.96143546 17.66532737
-0.00021597 0.00132467 0.00006960
0.00990815 0.00376023 -0.00341768
8.07408287 1.84412397 -29.28841262
0.00085405 -0.00093953 -0.00052989
0.00188563 -0.00659718 -0.01113647
5.35870582 0.67816432 -28.48230111
-0.00048979 -0.00010392 0.00063018
0.01643404 0.01145593 -0.00339442
14.22588397 19.32049076 13.58972654
-0.00126636 0.00002580 0.00028336
-0.00209718 -0.00293163 -0.00090926
13.05190796 17.81402308 11.46269370
-0.00014088 0.00019680 0.00032967
0.00981312 -0.01456769 -0.02254395
27.82990303 7.69728351 -11.64749634
0.00012497 0.00018008 0.00015102
-0.01956167 0.00015941 0.00841381
26.04104145 7.62875679 -9.25152201
-0.00039860 -0.00010641 -0.00036769
0.00955289 0.00239990 0.01063591
-7.88675404 4.70466025 6.10970408
0.00012639 0.00007666 0.00008133
-0.00067253 -0.00595492 0.00338514
-10.42202038 9.17062632 2.95466429
0.00021205 -0.00008487 0.00016679
0.01170973 -0.00365993 0.01216523
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.07584023
0.27373799
364.74214594
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0593750000
ExchangeOperator: pair fraction: ispin=0: 0.1468253110
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3744980784 (a.u.)
total exchange computation time: 2.8548808098 s
-154.1354933620
-931.35244581
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0593750000
ExchangeOperator: pair fraction: ispin=0: 0.1468253110
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3741445736 (a.u.)
total exchange computation time: 2.8558540344 s
-154.1395323899
Anderson extrapolation: theta=1.3608932855 (1.3608932855)
-931.35269619
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0593750000
ExchangeOperator: pair fraction: ispin=0: 0.1468253110
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3736055327 (a.u.)
total exchange computation time: 2.8553969860 s
-154.1453193143
Anderson extrapolation: theta=0.0591141385 (0.0591141385)
-931.35284923
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0593750000
ExchangeOperator: pair fraction: ispin=0: 0.1468253110
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.3735271426 (a.u.)
total exchange computation time: 2.8549821377 s
-154.1459576782
Anderson extrapolation: theta=2.1244241116 (2.0000000000)
-931.35285640
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0593750000
ExchangeOperator: pair fraction: ispin=0: 0.1468253110
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3733592519 (a.u.)
total exchange computation time: 2.8542850018 s
-154.1472756333
Anderson extrapolation: theta=0.3051920674 (0.3051920674)
-931.35286507
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0593750000
ExchangeOperator: pair fraction: ispin=0: 0.1468253110
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3733118521 (a.u.)
total exchange computation time: 2.8533589840 s
-154.1476212354
Anderson extrapolation: theta=1.4360183088 (1.4360183088)
-931.35286707
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0593750000
ExchangeOperator: pair fraction: ispin=0: 0.1468253110
ExchangeOperator: bisection time: 1.421 s
total exchange = -52.3732645007 (a.u.)
total exchange computation time: 2.8532090187 s
-154.1479491432
Anderson extrapolation: theta=0.3794938750 (0.3794938750)
-931.35286895
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0593750000
ExchangeOperator: pair fraction: ispin=0: 0.1468253110
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.3732677755 (a.u.)
total exchange computation time: 2.8539040089 s
-154.1479086866
Anderson extrapolation: theta=1.0431050875 (1.0431050875)
-931.35286945
20.085136 -16.733210 -167.682917
562.429390 1074.650700 -405.372506
582.514526 1057.917490 -573.055423
1336.751700
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0593750000
ExchangeOperator: pair fraction: ispin=0: 0.1468253110
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3732873489 (a.u.)
total exchange computation time: 2.8542020321 s
678.90950274
-1084.00301632
89.77520976
-388.86421631
-174.79706219
78.36716903
551.60419304
0.00000000
-931.35286968
4.57351571 -30.89283131 -3.50829549
-0.00003906 -0.00015954 0.00007459
0.00779764 -0.00788108 -0.02691281
-11.83971509 2.08494924 -9.37583621
0.00039050 0.00009312 0.00020432
0.02813342 0.00151241 0.01189493
-36.20670239 1.35662942 3.10899240
-0.00001112 0.00023508 -0.00005550
-0.00653000 -0.06073601 0.03596063
-7.48211598 -3.52643256 2.59917989
0.00006670 0.00020472 0.00013365
0.02544407 0.00556772 0.01568006
2.26133961 0.10400787 8.97793553
-0.00006809 0.00001646 0.00023379
-0.01530930 0.01330042 0.02252902
-31.02535166 1.44628877 2.66823219
-0.00014639 0.00007563 -0.00018743
0.05879500 -0.00387290 -0.00671870
16.92655071 13.21773473 -18.09010084
0.00003932 -0.00007196 -0.00035118
-0.00633999 -0.03323083 0.01319340
-3.42296491 5.17269070 5.54870723
0.00000531 -0.00016876 -0.00016143
-0.00831300 -0.01564117 -0.01355774
5.79884094 17.11158058 -6.95569373
-0.00012607 -0.00019371 -0.00011096
-0.05019205 -0.03621585 -0.04260254
7.26528351 5.71859702 -20.98703013
0.00001887 0.00015865 0.00016892
-0.03156311 0.00553200 0.06286231
18.61798680 19.64660713 -5.12985561
0.00001883 0.00005107 0.00002387
-0.00545041 0.00212636 0.02875490
1.95925010 13.94198511 -21.19268166
-0.00004983 0.00010188 -0.00012762
-0.00307268 0.02304809 -0.00073671
10.37672003 -5.31565581 0.41115884
0.00022822 0.00023912 0.00004154
0.00326854 -0.00342519 -0.02167299
-18.16639749 -4.09685303 5.34356162
0.00049379 -0.00042176 -0.00003543
0.01762392 0.02095051 -0.00840958
-14.26249758 -1.36738065 20.62605185
-0.00011031 0.00013226 0.00017763
0.00652456 0.00520522 -0.04894400
1.59988427 3.73870455 -3.98389319
0.00002087 0.00012449 -0.00022639
-0.00489535 -0.00687054 0.02545875
21.23692018 -10.64864958 -4.47634845
0.00012520 0.00008551 -0.00015066
0.03631318 0.02815492 0.03846667
3.05771694 -10.38187861 7.86576857
-0.00014042 -0.00014490 -0.00019337
0.01055428 -0.01163294 -0.00671826
-1.87649792 -1.80814244 -19.55487391
-0.00004693 0.00010426 -0.00030972
0.01210450 -0.01964920 -0.04060496
-0.36601952 3.57261028 -10.41875302
-0.00047271 0.00015107 -0.00033074
0.03951500 0.01220771 -0.03208499
-4.99548387 14.65696209 14.48176155
0.00006519 0.00008093 -0.00007034
-0.01899384 -0.00831558 -0.02778286
-5.40633137 2.72180202 -7.29001893
0.00020392 0.00024324 0.00020717
-0.01547990 -0.00354134 0.01917931
-9.22358048 0.80800128 -4.09243452
-0.00017398 0.00025260 0.00035055
0.01498175 0.00143213 -0.01599051
2.90077163 27.48361876 5.83992176
-0.00008452 0.00008698 -0.00012673
-0.00814954 -0.00634815 -0.04654103
9.98305953 -10.79234482 -1.52199729
-0.00030312 -0.00020663 0.00007690
-0.01609238 0.01697835 -0.01238565
-6.78679158 1.00933254 9.26001307
0.00005841 0.00017376 0.00011608
0.03144053 -0.00576567 -0.00983842
20.32442832 10.81547509 6.96366249
-0.00028913 -0.00003092 -0.00005795
0.03876754 0.00837229 0.00364478
-3.08366927 1.09197350 -23.83816533
-0.00019557 -0.00000818 -0.00013007
-0.01006861 0.02755878 -0.05791203
-13.72385312 8.80211428 8.59836752
0.00039262 -0.00003327 0.00018511
0.00364650 -0.01145414 0.03147624
-13.52816579 6.06005357 -3.35065067
-0.00023792 0.00000726 -0.00025123
0.00381082 -0.00188140 -0.00899574
-2.34529165 -15.39691603 20.55088560
-0.00015392 -0.00015001 -0.00010711
-0.00540733 -0.00966145 -0.00256146
-6.00394286 7.67627203 -8.01432547
-0.00000465 0.00028393 0.00037072
0.00611870 0.01308051 -0.01510304
-19.71322257 30.40493991 0.97566405
0.00018101 -0.00016475 -0.00019957
-0.01171829 -0.02532183 -0.00142949
9.84477529 3.81230583 7.95136811
0.00006365 0.00006559 0.00018621
0.02303914 -0.02025985 0.01158839
7.20791602 16.04219026 -11.64954163
0.00012730 0.00027439 0.00018028
-0.00859080 0.00666356 -0.00032190
13.70011784 5.05847618 -1.23490371
-0.00039322 -0.00024947 -0.00017624
0.00847709 -0.01827982 0.01760201
-6.07251473 11.48356344 -2.06730441
-0.00012585 0.00017814 0.00044472
0.00913838 0.00888371 0.01884035
7.84969612 12.62199578 5.26310332
-0.00009243 -0.00036329 0.00002299
0.00534390 0.03285079 -0.03683032
21.71187644 -11.98262584 -9.60887884
-0.00062263 0.00011006 0.00025744
0.01814743 -0.01343833 0.02419660
19.81862588 -5.93259632 -1.14711954
-0.00023363 0.00009847 0.00042131
-0.00890294 0.00008501 0.00297832
14.76702197 8.02202203 8.78906285
0.00032734 0.00007114 0.00012018
0.01402744 -0.01445065 0.01252029
3.80762546 -13.78811398 16.42462850
0.00010898 0.00003356 -0.00007710
0.02426224 0.03133857 -0.04254061
-2.57799640 -2.40975788 -13.68773135
-0.00007252 0.00021675 0.00013862
0.01894514 0.03729272 -0.00241709
15.50422362 -7.36487075 -13.16287654
0.00007073 -0.00011254 -0.00001394
0.01404118 -0.01432133 -0.00102938
9.72370350 -3.70652969 6.70542284
0.00016648 -0.00016405 -0.00004743
-0.00954651 -0.00584063 -0.03016757
-19.39366247 1.41118473 24.88519387
0.00000350 -0.00000612 -0.00012448
-0.03730840 -0.02946969 -0.00946271
24.25754919 -1.20180566 -7.41038372
-0.00023272 0.00013165 -0.00003093
0.00243426 -0.00263307 0.00853803
11.63188032 -10.48620470 -11.27622465
-0.00009954 0.00002779 -0.00020729
0.00905816 0.02188565 -0.00584870
-8.87387283 -10.76710347 16.48391708
0.00017719 0.00017179 -0.00001135
-0.04203961 -0.00257026 -0.02986931
6.88136425 1.59492478 -27.89506118
0.00025920 0.00002235 -0.00001493
-0.01368856 -0.00961088 0.00401364
12.63914697 18.70928310 12.93051122
0.00014369 -0.00027659 -0.00032187
-0.01500520 0.01455725 0.02766665
26.02846636 7.54597159 -11.07077771
-0.00004864 0.00005357 0.00005331
0.02566033 -0.00346591 -0.02596861
5.20493286 -29.73253635 -4.82241690
-0.00017138 -0.00061963 -0.00048714
-0.00205150 -0.00232245 0.00739030
4.19558126 -29.86458166 -2.09122093
-0.00053260 0.00026084 0.00001312
-0.00771306 0.00523143 0.01879060
-10.03403273 2.10568937 -8.85702206
-0.00051487 0.00067234 0.00002749
-0.02940747 -0.00039996 -0.00803299
-11.85902697 2.62614534 -11.13437049
0.00043390 -0.00037186 0.00022686
-0.00406891 0.00285260 -0.00248394
-36.90102620 2.91501104 2.55294444
0.00057167 0.00072175 0.00128190
-0.01429034 0.03074541 -0.00869081
-37.58622992 0.36112660 3.96578442
-0.00015537 -0.00032504 0.00034785
0.02217444 0.02122885 -0.02244525
-8.57500618 -4.20171166 1.35015449
0.00009316 0.00021742 -0.00022093
-0.02437302 -0.01149523 -0.01587673
-6.25265399 -4.85632364 2.88109989
-0.00014507 -0.00028252 -0.00034618
-0.00328092 0.00030818 0.00362166
2.82611189 -0.07151686 7.27286854
0.00070433 -0.00043567 -0.00066159
-0.00098163 0.00377996 -0.01079231
1.60985024 1.83299339 9.34488476
0.00021814 -0.00034273 0.00009606
0.00934822 -0.02315971 -0.01037094
-30.13623608 -0.20742315 2.49946639
0.00073723 0.00094163 0.00059463
-0.00207977 0.01596759 0.00483833
-32.67671625 0.89363044 2.80639918
-0.00025370 0.00002902 -0.00020360
-0.05538657 -0.00639747 0.00628186
15.56567462 11.91692900 -18.36254819
-0.00044962 -0.00150464 -0.00042472
0.02060509 0.02281505 0.00415531
18.24726535 12.23909920 -17.04133493
-0.00032009 0.00081168 -0.00126533
-0.01436507 0.01315594 -0.01518925
-3.03939758 6.78484660 6.26933314
0.00016345 -0.00023425 -0.00015317
0.00593350 0.01316113 0.00150209
-3.03350430 5.25152193 3.76062488
-0.00000939 -0.00040607 0.00084724
0.00318266 0.00475914 0.00758677
5.80939870 16.54050752 -8.83641658
0.00037686 0.00026232 0.00024294
0.00576396 0.00412806 0.03424073
7.16170825 18.18269411 -7.00521400
-0.00053680 -0.00005489 0.00045314
0.04724907 0.03374985 0.00706728
7.45182424 5.09432873 -22.62910834
0.00025033 -0.00111725 -0.00020082
0.02075185 0.00888013 -0.04074966
8.54702798 6.87443967 -20.33640859
0.00025119 0.00050098 -0.00014096
0.00480980 -0.00365029 -0.01603942
19.21809977 21.06603116 -3.96320471
-0.00008999 -0.00055255 -0.00058935
-0.00310514 -0.01389681 -0.02824734
19.43951065 19.52982666 -6.72449588
-0.00033446 -0.00005977 -0.00068901
0.01417304 0.01041518 -0.00176733
1.55236952 12.34040381 -20.50838977
-0.00033846 0.00009926 -0.00016490
0.00376627 -0.02187217 0.00396236
0.33822494 14.56279227 -21.80967728
0.00113480 0.00105848 -0.00142052
0.00169235 0.00490719 -0.00033442
10.43166320 -6.84967960 -0.62238313
-0.00109402 -0.00060943 0.00106166
-0.00007085 0.00281615 0.00756378
9.75521572 -4.02986574 -0.81730120
-0.00001390 -0.00115813 0.00079480
-0.00521265 -0.00226292 0.01407601
-18.22493117 -5.06513671 6.83887961
0.00030390 -0.00055185 0.00007048
-0.00685910 -0.01731431 0.01706044
-18.68364999 -5.14493722 3.96400171
0.00011510 0.00053928 -0.00024795
-0.00748348 -0.00817694 -0.00610271
-14.32934536 -0.16012350 19.07829726
0.00009414 -0.00000176 0.00003119
-0.00416370 -0.01872942 0.03645963
-14.13694129 -0.48644872 22.20298081
-0.00047623 -0.00003037 0.00003323
-0.00301686 0.01489981 0.00675271
1.23782736 3.04678825 -2.29203792
-0.00041250 -0.00139243 -0.00053413
0.00524505 0.00996804 -0.01233669
2.06030256 2.20587910 -4.83443557
-0.00017332 0.00065884 -0.00023535
0.00011549 -0.00536663 -0.01314359
21.86648466 -10.58085705 -6.15296622
-0.00105249 -0.00006675 0.00073078
-0.00933990 -0.00061029 -0.02402068
22.72165865 -9.79214429 -3.60975578
-0.00065020 -0.00070426 -0.00003672
-0.03127179 -0.01790958 -0.00811660
4.66574629 -10.37746131 6.93708446
0.00100487 -0.00022056 -0.00056101
-0.00885869 -0.00018704 0.00762208
3.17717348 -11.84791690 9.01988682
0.00079461 0.00003076 -0.00000259
-0.00106760 0.01236767 -0.00447357
-2.09546667 -3.23109782 -20.80679653
-0.00024641 0.00007347 -0.00011265
0.00656649 0.01531283 0.02036344
-3.41779682 -1.80555485 -18.66758911
-0.00005969 -0.00066133 0.00037786
-0.01809674 0.00020302 0.01794488
0.51140835 5.02582218 -9.78304781
0.00086564 0.00029345 -0.00048412
0.01924947 0.00800500 -0.01637840
-1.47827438 3.53251547 -9.11580449
0.00063265 -0.00042855 0.00075658
-0.05976889 -0.01876473 0.04846092
-3.76903674 15.32029102 15.55554829
0.00023849 0.00113616 0.00013602
0.02180963 0.00878170 0.02256713
-6.59073171 14.91296784 15.31390403
-0.00088581 0.00055726 -0.00093372
-0.00220635 -0.00194011 0.00073555
-6.79989005 1.95378791 -6.30795311
-0.00012506 -0.00009968 0.00019209
0.00915767 0.00718604 0.00173623
-4.85593015 1.34138694 -8.27967529
0.00015450 0.00001944 0.00007955
0.00528610 -0.01100108 -0.01618287
-10.07364910 -0.66479382 -3.56078241
0.00065423 -0.00032376 -0.00101298
-0.00985908 -0.01766185 0.00305871
-9.54737530 2.05937094 -2.83054537
-0.00012412 -0.00027424 -0.00056363
0.00127610 0.01896702 0.00813851
3.08018714 29.06195529 4.95892251
0.00058746 -0.00060403 -0.00044332
-0.00305574 0.00410159 -0.00609750
3.31228189 27.80856371 7.49039345
-0.00031702 -0.00091312 0.00083535
0.01148039 0.00999316 0.05593731
8.24280384 -10.64025250 -0.98527199
0.00075879 -0.00100352 0.00025011
-0.00412392 0.00142012 -0.01087156
10.81572480 -11.04328779 0.08379448
-0.00045901 -0.00010751 0.00050643
0.00894183 -0.01063663 0.00679283
-5.19629723 0.01070501 8.76901080
-0.00035495 -0.00053985 -0.00041904
-0.03920269 0.01016095 0.01021788
-8.26834180 -0.04578325 9.16878054
-0.00029490 -0.00032221 -0.00047556
0.00720253 -0.00724365 -0.00157118
20.34778856 11.06440755 8.84957340
-0.00001210 -0.00021730 -0.00056312
0.00930681 -0.00720859 -0.03312328
22.19779790 11.12081003 6.33955647
-0.00032519 -0.00080654 0.00038446
-0.04689121 -0.00493900 0.03374031
-2.87730207 0.14315456 -22.40424299
0.00002131 -0.00126534 -0.00084133
0.01020425 -0.03223317 0.05862219
-4.88063185 1.17065709 -24.13965742
0.00150636 0.00047278 0.00027794
-0.00202428 0.00477429 0.00007678
-12.56886346 9.75304938 9.79842029
0.00028225 0.00067618 -0.00040917
-0.01279827 -0.01105757 -0.02228965
-13.51721338 9.60591585 7.00273445
0.00026975 -0.00072426 0.00036415
-0.00044179 0.00913989 -0.00668041
-14.29340549 4.91063629 -4.55906136
-0.00104541 -0.00019520 0.00074365
-0.00164522 0.00303356 -0.00131739
-13.94321953 7.77404831 -3.82730844
0.00108880 -0.00071532 -0.00064805
-0.00233490 -0.00600987 -0.00080219
-4.14921566 -15.58910875 20.22950664
-0.00086001 -0.00003110 0.00031001
0.00963970 -0.00202451 0.00247802
-1.52599403 -16.70951557 19.53714183
-0.00026910 0.00001398 0.00015174
-0.01112165 0.01033362 0.00258093
-5.57331249 6.00427520 -7.48250040
0.00128797 0.00047084 -0.00041544
-0.00485376 -0.01310386 0.00243809
-7.42688664 8.28006954 -7.04380174
-0.00035118 0.00034926 0.00025262
-0.00048825 0.00605428 0.00357175
-21.10151519 29.22499477 0.50556897
0.00089128 -0.00071279 0.00111352
0.01811800 0.02264469 0.00596932
-18.15758578 29.39124373 0.87103165
0.00010118 0.00000121 -0.00136678
-0.00605834 0.00661189 0.00119188
9.36776918 2.78353528 6.55839367
-0.00045008 -0.00064725 -0.00079816
-0.00983676 -0.00774617 -0.01431772
9.09206002 5.43011499 7.80762301
-0.00035658 0.00046059 -0.00072667
-0.01009826 0.02708611 0.00105548
7.99960018 17.53590939 -12.31501044
-0.00097960 0.00020859 0.00003673
0.00204062 0.00825225 0.00025656
8.47574189 14.82869978 -12.08052588
0.00032757 0.00015354 -0.00073581
0.00352199 -0.01725036 0.00088409
12.10784396 5.89412817 -1.12104696
0.00086508 -0.00065894 0.00042775
-0.01001112 0.01155468 -0.00868354
13.67891425 4.06861648 0.35230985
-0.00051990 -0.00070020 0.00027905
0.00600074 0.00336544 -0.01039912
-4.23120812 11.14796012 -2.05406640
0.00010900 -0.00063906 -0.00008129
-0.02143419 -0.01051034 0.00964800
-7.20997620 10.77953917 -0.74495779
-0.00031750 0.00056452 -0.00015766
0.03498505 0.00177400 -0.01305195
7.35252062 14.34285258 4.65623594
0.00008311 0.00049255 0.00041181
0.00773986 -0.02817972 0.01136612
9.12774706 12.06881505 3.96854330
-0.00063199 0.00041235 0.00125226
-0.01545437 0.00304435 0.02112500
20.48990385 -13.10863441 -8.80707023
0.00051966 0.00034457 -0.00018846
-0.00430338 0.00906615 -0.00469731
23.31310927 -12.42818762 -8.69493430
0.00031015 -0.00040867 -0.00046934
-0.02394239 0.00668612 -0.02108718
20.01571554 -4.85813378 -2.65791566
-0.00014042 -0.00020337 0.00046263
-0.01346519 -0.01050317 0.00438321
18.23098953 -6.91731571 -1.27330410
0.00021882 0.00043901 0.00032045
0.01849397 0.01268456 -0.00416074
13.92921336 9.61581578 8.72221861
0.00037516 -0.00013436 0.00082995
-0.00380140 -0.00030018 0.00562207
15.10265384 7.64412925 10.59780635
0.00043802 -0.00037212 0.00070661
-0.00302912 0.00995826 -0.01197464
3.02462272 -15.15163378 17.22440604
-0.00015725 0.00027161 0.00043353
-0.02123106 -0.02012491 0.02904597
3.55885383 -12.12147063 17.15733701
-0.00118445 -0.00003875 0.00016739
-0.00169495 -0.01389469 0.01148192
-2.67331034 -3.80141516 -12.58317322
0.00037114 0.00033952 0.00029328
-0.00323377 -0.01889568 0.01262148
-0.99661517 -1.45925236 -13.21025006
0.00050334 -0.00102136 -0.00067445
-0.01566635 -0.01539682 -0.01322789
16.19404013 -7.66045510 -14.87937310
-0.00048470 0.00067451 0.00026587
-0.01170423 0.00170073 0.00310844
16.67415132 -8.32453632 -12.10170199
-0.00017671 0.00008503 -0.00096737
-0.00652140 0.01162633 0.00123286
7.91574107 -3.79867493 6.24828924
0.00139475 0.00056404 -0.00102398
0.01290272 0.00414463 0.00116803
10.52314828 -4.25362648 5.09793638
-0.00023480 -0.00087298 -0.00039264
-0.00356375 0.00757845 0.02156576
-21.17079246 0.73919373 25.17297911
0.00041297 -0.00055130 0.00030030
0.04044228 0.01492129 -0.00359189
-19.16228145 2.89806253 25.90381595
-0.00050346 0.00000601 0.00062123
-0.00874472 0.00828115 0.01029789
25.34775579 -2.73539427 -7.20641572
-0.00057389 0.00080811 -0.00020838
-0.01353681 0.01317023 -0.01481143
23.57455130 -0.93245324 -9.11023058
-0.00079409 0.00032959 0.00031504
0.01971311 -0.00838188 0.00996474
11.74702310 -9.98017785 -9.54509474
0.00049400 -0.00056729 -0.00052727
0.00151318 -0.00588018 0.01975041
12.97330309 -9.42753599 -12.04242018
0.00051243 0.00009786 -0.00005564
-0.00805807 0.00008318 -0.00422859
-7.38335345 -10.63582224 17.51270630
-0.00029280 -0.00045336 -0.00111923
0.00855059 -0.00093347 0.01366740
-10.28926595 -10.94145012 17.66626659
-0.00017230 0.00133967 0.00005414
0.01146743 0.00358050 -0.00415098
8.08695141 1.82982886 -29.29670224
0.00085563 -0.00096704 -0.00056943
-0.00111131 -0.00686766 -0.00821821
5.35186252 0.67695652 -28.47295237
-0.00041670 -0.00005403 0.00061758
0.01934633 0.01296728 -0.00277734
14.20682432 19.32078795 13.59394903
-0.00126197 0.00001837 0.00028379
0.00424391 -0.00070423 0.00112156
13.05009546 17.81652870 11.46694790
-0.00009638 0.00013011 0.00022550
0.01197202 -0.01807891 -0.02844607
27.83117807 7.69998955 -11.64497314
0.00004390 0.00018041 0.00018589
-0.02011868 0.00000374 0.00865387
26.03535515 7.62723418 -9.25671151
-0.00035904 -0.00009640 -0.00031765
0.00981148 0.00250232 0.01386013
-7.88485993 4.70579419 6.11093316
0.00012614 0.00007455 0.00008255
-0.00074573 -0.00585647 0.00344116
-10.41881918 9.16934686 2.95718733
0.00021476 -0.00008571 0.00016962
0.01163833 -0.00359132 0.01217249
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.07551789
0.27735179
369.55735755
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0593023256
ExchangeOperator: pair fraction: ispin=0: 0.1467387777
ExchangeOperator: bisection time: 1.422 s
total exchange = -52.3846726192 (a.u.)
total exchange computation time: 2.9175930023 s
-154.1704675557
-931.35624578
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0593023256
ExchangeOperator: pair fraction: ispin=0: 0.1467387777
ExchangeOperator: bisection time: 1.422 s
total exchange = -52.3842386314 (a.u.)
total exchange computation time: 2.9184401035 s
-154.1750537241
Anderson extrapolation: theta=1.3459177167 (1.3459177167)
-931.35648417
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0593023256
ExchangeOperator: pair fraction: ispin=0: 0.1467387777
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.3835742318 (a.u.)
total exchange computation time: 2.9176290035 s
-154.1815916307
Anderson extrapolation: theta=0.0535986424 (0.0535986424)
-931.35662687
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0593023256
ExchangeOperator: pair fraction: ispin=0: 0.1467387777
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3834720506 (a.u.)
total exchange computation time: 2.9189159870 s
-154.1823031795
Anderson extrapolation: theta=1.9960364831 (1.9960364831)
-931.35663280
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0593023256
ExchangeOperator: pair fraction: ispin=0: 0.1467387777
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3832430369 (a.u.)
total exchange computation time: 2.9186429977 s
-154.1838120636
Anderson extrapolation: theta=0.2345698620 (0.2345698620)
-931.35663970
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0593023256
ExchangeOperator: pair fraction: ispin=0: 0.1467387777
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.3831791127 (a.u.)
total exchange computation time: 2.9229710102 s
-154.1841662212
Anderson extrapolation: theta=1.8515490695 (1.8515490695)
-931.35664116
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0593023256
ExchangeOperator: pair fraction: ispin=0: 0.1467387777
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.3830736354 (a.u.)
total exchange computation time: 2.9186360836 s
-154.1846868681
Anderson extrapolation: theta=0.2814925998 (0.2814925998)
-931.35664304
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0593023256
ExchangeOperator: pair fraction: ispin=0: 0.1467387777
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3830582588 (a.u.)
total exchange computation time: 2.9179232121 s
-154.1847011816
Anderson extrapolation: theta=1.2950293942 (1.2950293942)
-931.35664349
20.102378 -16.761886 -167.678818
562.402997 1074.620130 -405.409864
582.505376 1057.858244 -573.088681
1336.715083
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0593023256
ExchangeOperator: pair fraction: ispin=0: 0.1467387777
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3830498622 (a.u.)
total exchange computation time: 2.9181849957 s
679.05635084
-1084.31132790
89.76008182
-388.65658261
-174.82211614
78.53552773
551.60419304
0.00000000
-931.35664385
4.57295990 -30.89525480 -3.50728043
-0.00003520 -0.00016322 0.00006127
0.00720790 -0.00644383 -0.02490433
-11.83374901 2.08635193 -9.37272550
0.00040345 0.00009381 0.00021019
0.02222044 0.00115384 0.01092017
-36.20689439 1.35992131 3.10829860
-0.00001473 0.00020310 -0.00003655
-0.00751506 -0.06360025 0.03774321
-7.48101740 -3.52334033 2.60124510
0.00007958 0.00020702 0.00014128
0.02466147 0.00338450 0.01398369
2.26025922 0.10430609 8.98152922
-0.00007485 0.00002216 0.00024293
-0.01099553 0.00886376 0.01301780
-31.02732079 1.44740822 2.66539476
-0.00011693 0.00007423 -0.00019069
0.05577483 -0.00153579 -0.00594701
16.92711603 13.21652721 -18.09531772
0.00003385 -0.00008959 -0.00034547
-0.01492902 -0.03532347 0.00901119
-3.42291737 5.17009904 5.54623347
0.00000062 -0.00017679 -0.00016643
-0.00989525 -0.01558968 -0.00588623
5.79675633 17.10853530 -6.95752243
-0.00015198 -0.00021232 -0.00013237
-0.05056623 -0.03618383 -0.04066348
7.26544476 5.72099817 -20.98425389
0.00000318 0.00016108 0.00019942
-0.02943429 0.00388276 0.05575845
18.61824829 19.64738133 -5.12938666
0.00001614 0.00005118 0.00003700
-0.00501215 -0.00167585 0.02229585
1.95849077 13.94360220 -21.19459884
-0.00005071 0.00011353 -0.00012783
-0.00034412 0.02225175 -0.00005297
10.38015587 -5.31208223 0.41169830
0.00023048 0.00023565 0.00003177
0.00554755 -0.01007659 -0.01630741
-18.15892271 -4.10309860 5.34299777
0.00050301 -0.00041081 -0.00003892
0.01823513 0.02161836 -0.00517223
-14.26412711 -1.36537669 20.62852744
-0.00010702 0.00013466 0.00015218
0.00626418 0.00412009 -0.05001687
1.60017844 3.74054542 -3.98719092
0.00001798 0.00012126 -0.00021228
-0.00633746 -0.00569241 0.02943574
21.23893827 -10.64725837 -4.47846000
0.00014183 0.00009922 -0.00012885
0.02836005 0.02516207 0.04637022
3.05565132 -10.38409704 7.86284211
-0.00013312 -0.00015095 -0.00019771
0.01785837 -0.01186406 -0.01014097
-1.87715513 -1.80665432 -19.55967635
-0.00004158 0.00009427 -0.00032997
0.00868871 -0.01920590 -0.03813012
-0.37295778 3.57492345 -10.42383790
-0.00045229 0.00015844 -0.00034636
0.03990503 0.01645549 -0.02863491
-4.99457921 14.65814398 14.48059924
0.00005582 0.00007732 -0.00008330
-0.01745879 -0.00573385 -0.02259064
-5.40333222 2.72543702 -7.28683742
0.00019578 0.00024067 0.00021695
-0.01618393 -0.00645272 0.01887439
-9.22613244 0.81179576 -4.08723797
-0.00016547 0.00025239 0.00034041
0.01813085 -0.00221784 -0.02343482
2.89947238 27.48489894 5.83784130
-0.00008833 0.00008317 -0.00014835
-0.00667044 -0.00846694 -0.03755250
9.97845070 -10.79537870 -1.52089154
-0.00030917 -0.00019811 0.00007067
-0.00746034 0.01614498 -0.01183704
-6.78579413 1.01191668 9.26171635
0.00007360 0.00016974 0.00011082
0.02762666 -0.00986717 -0.01061985
20.32024093 10.81504352 6.96280723
-0.00026931 -0.00002688 -0.00005666
0.03832054 0.00736998 0.00138249
-3.08664163 1.09195706 -23.84033971
-0.00019711 0.00000546 -0.00015839
0.00408803 0.02550590 -0.05224826
-13.71794974 8.80157102 8.60126551
0.00039421 -0.00003954 0.00020189
0.00254229 -0.01290892 0.03379423
-13.53171992 6.06015527 -3.35445385
-0.00023541 0.00000477 -0.00025512
0.00594168 -0.00779954 -0.00611661
-2.34762133 -15.39920350 20.54926905
-0.00015803 -0.00015454 -0.00010819
-0.01055334 -0.00794263 -0.00162246
-6.00398908 7.68058151 -8.00882288
-0.00000180 0.00029111 0.00036288
0.00499033 0.01483280 -0.01539270
-19.71055259 30.40237104 0.97266501
0.00017554 -0.00017733 -0.00020010
-0.00955242 -0.02362810 -0.00062416
9.84581889 3.81321150 7.95420598
0.00007408 0.00005487 0.00018983
0.01752035 -0.02143262 0.00246473
7.20979240 16.04633174 -11.64683871
0.00012314 0.00027634 0.00018017
-0.00757731 0.00092015 -0.00010516
13.69425223 5.05466357 -1.23747940
-0.00038654 -0.00026062 -0.00016643
0.01749249 -0.02507535 0.02052835
-6.07436719 11.48626978 -2.06056097
-0.00012020 0.00018294 0.00045364
0.01280163 0.00979365 0.01584279
7.84833036 12.61667319 5.26330616
-0.00009133 -0.00034488 0.00000537
-0.00107058 0.03873588 -0.03168723
21.70260704 -11.98102678 -9.60492395
-0.00061115 0.00010419 0.00026924
0.02648421 -0.00940026 0.02170410
19.81508710 -5.93111894 -1.14078847
-0.00023738 0.00009891 0.00042303
-0.00566479 0.00164547 0.00371608
14.77198620 8.02303345 8.79091378
0.00033495 0.00006309 0.00012764
0.01554503 -0.01685615 0.01650504
3.80935383 -13.78748966 16.42330796
0.00012094 0.00004950 -0.00009829
0.02221733 0.03065233 -0.03988027
-2.57901120 -2.40636275 -13.68566134
-0.00006310 0.00023538 0.00013734
0.01768515 0.03514383 -0.00257132
15.50533868 -7.36661416 -13.16308960
0.00007662 -0.00011896 -0.00001454
0.00887417 -0.01063094 -0.00131404
9.72616383 -3.70901297 6.70459495
0.00016334 -0.00016722 -0.00006331
-0.00266091 -0.00649565 -0.03155368
-19.39375390 1.41097924 24.88329018
-0.00001533 -0.00002060 -0.00012884
-0.03592849 -0.02684294 -0.00750968
24.25406784 -1.19984107 -7.41081473
-0.00023214 0.00013126 -0.00002644
-0.00019294 0.00111557 0.00892945
11.63042212 -10.48570345 -11.27935655
-0.00009435 0.00003926 -0.00021132
0.01113537 0.02270835 -0.00982537
-8.87137714 -10.76453661 16.48363160
0.00015371 0.00017037 -0.00002763
-0.04927039 -0.00291560 -0.03341993
6.88519942 1.59522297 -27.89526959
0.00025233 0.00001723 -0.00001374
-0.01299980 -0.01028826 0.00059593
12.64124442 18.70519034 12.92578986
0.00013384 -0.00026897 -0.00030696
-0.02328303 0.01508409 0.03034086
26.02783574 7.54676173 -11.07007825
-0.00003545 0.00005174 0.00003926
0.02562478 -0.00362083 -0.02866466
5.20229927 -29.74190192 -4.82949751
-0.00018016 -0.00062892 -0.00045548
-0.00224377 -0.00222555 0.00810558
4.18735597 -29.86050872 -2.09044838
-0.00056238 0.00027909 0.00008448
-0.00686562 0.00369859 0.01614366
-10.04265686 2.11576225 -8.85685594
-0.00062222 0.00067049 -0.00000103
-0.02314309 -0.00050501 -0.00592569
-11.85264315 2.62065486 -11.13104371
0.00041630 -0.00035932 0.00021459
-0.00454687 0.00328581 -0.00352160
-36.89288909 2.92677945 2.57190657
0.00051150 0.00084946 0.00124562
-0.01516015 0.03176642 -0.00906579
-37.58788101 0.35690156 3.97031442
-0.00006123 -0.00023431 0.00025313
0.02390729 0.02318086 -0.02392180
-8.57435558 -4.19880266 1.34635399
-0.00000360 0.00017321 -0.00028238
-0.02299191 -0.01014563 -0.01420159
-6.25493052 -4.86055192 2.87601815
-0.00015933 -0.00027975 -0.00033118
-0.00370027 0.00104778 0.00372303
2.83664678 -0.07793614 7.26261402
0.00069415 -0.00041789 -0.00068742
-0.00399993 0.00492747 -0.00185359
1.61340884 1.82714279 9.34600783
0.00025384 -0.00043119 0.00005443
0.00812339 -0.02014449 -0.01000583
-30.12524133 -0.19280934 2.50853407
0.00072902 0.00100206 0.00061327
-0.00194077 0.01361344 0.00428747
-32.68221901 0.89386974 2.80353763
-0.00047455 0.00000309 -0.00017864
-0.05272027 -0.00629499 0.00593724
15.55956166 11.89505850 -18.36879161
-0.00035548 -0.00140125 -0.00040569
0.02547771 0.02779487 0.00515659
18.24202386 12.25167748 -17.06078029
-0.00037236 0.00086005 -0.00132163
-0.01122209 0.01052130 -0.01237175
-3.03676399 6.78173608 6.26708164
0.00018749 -0.00018085 -0.00014676
0.00583435 0.01298259 0.00163629
-3.03354762 5.24557677 3.77356593
0.00000706 -0.00038626 0.00086238
0.00486896 0.00493828 -0.00017693
5.81522825 16.54456880 -8.83172326
0.00039950 0.00027732 0.00037860
0.00531750 0.00321473 0.03216608
7.15510411 18.18290490 -6.99820040
-0.00034207 0.00008474 0.00048281
0.04807120 0.03459986 0.00745853
7.45621510 5.07784204 -22.63336935
0.00033356 -0.00107487 -0.00035144
0.01999153 0.01186778 -0.03297746
8.55094321 6.88184255 -20.33901449
0.00026865 0.00048365 -0.00020792
0.00373871 -0.00483429 -0.01673795
19.21665473 21.05731700 -3.97291049
-0.00009991 -0.00060253 -0.00070019
-0.00175215 -0.01056770 -0.02601167
19.43492812 19.52924925 -6.73488514
-0.00028063 -0.00001647 -0.00068827
0.01217687 0.01078321 0.00212736
1.54740799 12.34122253 -20.51074185
-0.00032458 0.00001251 -0.00015007
0.00302918 -0.02059492 0.00329494
0.35529884 14.57881980 -21.83099539
0.00113722 0.00107745 -0.00142156
-0.00050682 0.00437931 -0.00017454
10.41525075 -6.85873483 -0.60622640
-0.00109380 -0.00059651 0.00109286
0.00017680 0.00351180 0.00770771
9.75484751 -4.04730700 -0.80494791
-0.00004013 -0.00115558 0.00084103
-0.00762933 0.00351120 0.00855577
-18.22058287 -5.07394500 6.84045963
0.00027585 -0.00062091 0.00013605
-0.00687005 -0.01649399 0.01503630
-18.68215274 -5.13709855 3.96009545
0.00008303 0.00050288 -0.00027544
-0.00821578 -0.00964226 -0.00735529
-14.32806081 -0.16072382 19.07988240
0.00007691 -0.00007766 0.00018022
-0.00427106 -0.01842638 0.03649157
-14.14417726 -0.48644773 22.20368622
-0.00048826 0.00003219 0.00006283
-0.00287016 0.01572581 0.00773705
1.23180063 3.02620725 -2.30042787
-0.00039087 -0.00134805 -0.00058728
0.00534077 0.01175663 -0.01368379
2.05770636 2.21559727 -4.83836859
-0.00017028 0.00063087 -0.00029437
0.00137038 -0.00832745 -0.01574607
21.85041105 -10.58187706 -6.14274063
-0.00108282 -0.00006831 0.00061259
-0.00550542 -0.00015043 -0.03383101
22.71094740 -9.80325704 -3.61055528
-0.00076951 -0.00077251 -0.00006608
-0.02713040 -0.01549797 -0.00625752
4.68054791 -10.38077545 6.92890285
0.00095498 -0.00022085 -0.00052287
-0.01556427 0.00004384 0.01104683
3.18905995 -11.84707646 9.01971081
0.00078894 0.00008151 -0.00002095
-0.00171081 0.01247131 -0.00450934
-2.09896158 -3.22952658 -20.80786228
-0.00021922 0.00013445 -0.00003068
0.00674134 0.01453872 0.01976057
-3.41924665 -1.81546852 -18.66137125
-0.00012684 -0.00066022 0.00044761
-0.01477416 0.00033947 0.01619568
0.52498277 5.03046927 -9.79081153
0.00093657 0.00031639 -0.00055429
0.01547342 0.00322060 -0.01796837
-1.47061616 3.52551220 -9.10297087
0.00039538 -0.00050410 0.00095093
-0.05637320 -0.01821550 0.04667641
-3.76479112 15.33760256 15.55828005
0.00031617 0.00116728 0.00022028
0.01621580 0.00645026 0.01867844
-6.60408642 14.92126732 15.29992074
-0.00088653 0.00054868 -0.00093319
0.00185286 -0.00226043 -0.00047453
-6.80148528 1.95251299 -6.30501859
-0.00008461 -0.00006804 0.00019729
0.01064292 0.00829896 0.00081058
-4.85345068 1.34134149 -8.27897790
0.00017465 -0.00002164 0.00001588
0.00457975 -0.00910792 -0.01498437
-10.06413768 -0.67019139 -3.57588341
0.00061157 -0.00039845 -0.00099794
-0.01102408 -0.01889942 0.00430579
-9.54919797 2.05583849 -2.83875049
-0.00012298 -0.00018725 -0.00051830
-0.00072104 0.02361503 0.01405384
3.08890536 29.05302045 4.95208590
0.00057635 -0.00058123 -0.00046889
-0.00237928 0.00705983 -0.00642070
3.30787844 27.79517314 7.50463777
-0.00027440 -0.00087388 0.00104607
0.00938181 0.00921536 0.04721476
8.25405932 -10.65526180 -0.98185348
0.00072505 -0.00099642 0.00020907
-0.01239309 0.00205658 -0.00921725
10.80911366 -11.04522642 0.09159909
-0.00042264 -0.00015074 0.00052990
0.00886302 -0.01052269 0.00469771
-5.20282280 0.00291865 8.76303835
-0.00051402 -0.00049627 -0.00037640
-0.03866209 0.01117203 0.01065284
-8.27254454 -0.05083834 9.16159901
-0.00025869 -0.00034533 -0.00048112
0.01052189 -0.00407539 -0.00115056
20.34789222 11.06092721 8.84011161
0.00002504 -0.00024603 -0.00069123
0.00887380 -0.00685517 -0.02958885
22.19148314 11.10856060 6.34635728
-0.00051434 -0.00082572 0.00051994
-0.04569893 -0.00444820 0.03257900
-2.87666965 0.12318669 -22.41506659
0.00006247 -0.00139380 -0.00060746
0.00993914 -0.03064942 0.05585858
-4.85809846 1.17789510 -24.13548590
0.00147018 0.00049386 0.00027338
-0.01568775 0.00554338 -0.00231174
-12.56502192 9.76285323 9.79159968
0.00023103 0.00063076 -0.00049793
-0.01227549 -0.01117757 -0.02115577
-13.51318069 9.59533210 7.00799202
0.00026849 -0.00068404 0.00032947
-0.00017278 0.01054369 -0.01029760
-14.30913702 4.90780125 -4.54794694
-0.00105302 -0.00018461 0.00073558
-0.00208183 0.00214982 -0.00263273
-13.92695910 7.76313438 -3.83705382
0.00107568 -0.00072676 -0.00065484
-0.00408674 0.00040988 -0.00251744
-4.16182038 -15.58963728 20.23423265
-0.00081177 -0.00003915 0.00032100
0.01397506 -0.00191561 0.00290470
-1.53037134 -16.70898917 19.53949705
-0.00031304 0.00005271 0.00015966
-0.01038794 0.00862210 0.00129374
-5.55414174 6.01093627 -7.48865729
0.00126644 0.00041671 -0.00040365
-0.00568222 -0.01339598 0.00333074
-7.43216926 8.28549396 -7.03990303
-0.00034988 0.00037048 0.00026595
0.00112308 0.00433290 0.00295443
-21.08759084 29.21499676 0.52245474
0.00095858 -0.00062399 0.00113541
0.01482795 0.02082314 0.00474281
-18.15625366 29.39146452 0.85056648
0.00007863 0.00002844 -0.00136098
-0.00498233 0.00671510 0.00164506
9.36071655 2.77358918 6.54598246
-0.00048381 -0.00066662 -0.00083951
-0.00667601 -0.00173392 -0.00591881
9.08640190 5.43785389 7.79675538
-0.00039260 0.00056097 -0.00072057
-0.00753268 0.02205079 0.00192848
7.98496868 17.53929110 -12.31445169
-0.00096790 0.00024788 0.00003507
0.00368940 0.01098142 -0.00106538
8.48076334 14.83047433 -12.09153592
0.00033669 0.00008918 -0.00073032
0.00094270 -0.01425538 0.00180314
12.12051339 5.88459818 -1.11489674
0.00080507 -0.00060079 0.00039308
-0.01936418 0.01691028 -0.00829129
13.67129970 4.05821658 0.35617700
-0.00049435 -0.00068322 0.00023008
0.00650481 0.00494616 -0.01357368
-4.23023000 11.13805219 -2.05499004
0.00001668 -0.00068093 -0.00004123
-0.02375244 -0.00998813 0.00996096
-7.21366671 10.78806136 -0.74772258
-0.00017771 0.00056866 -0.00020607
0.03344603 0.00025155 -0.01064649
7.35400440 14.34937727 4.66276136
0.00011598 0.00037110 0.00046012
0.00835304 -0.03126684 0.01228446
9.11779359 12.07509365 3.98797458
-0.00068361 0.00041959 0.00132620
-0.00981243 0.00049555 0.01506745
20.49756691 -13.10318804 -8.81004114
0.00049090 0.00037138 -0.00020060
-0.00977555 0.00405951 -0.00124391
23.31702783 -12.43411281 -8.70262058
0.00020665 -0.00037903 -0.00055753
-0.02672300 0.00782175 -0.02208383
20.01319663 -4.86150613 -2.65084192
-0.00019470 -0.00024464 0.00047859
-0.01310690 -0.00969851 0.00342914
18.23483852 -6.91034194 -1.26862491
0.00028746 0.00048578 0.00030334
0.01510722 0.01021114 -0.00421173
13.93472422 9.61379113 8.73484017
0.00035769 -0.00013216 0.00085246
-0.00474991 0.00137746 0.00539400
15.10913125 7.63885262 10.60803863
0.00042457 -0.00033000 0.00065027
-0.00355159 0.01065689 -0.01560757
3.02161332 -15.14817639 17.23179902
-0.00024150 0.00019235 0.00054885
-0.02000604 -0.01867176 0.02740632
3.54103516 -12.12247760 17.16019963
-0.00118967 -0.00009719 0.00021202
-0.00085996 -0.01471428 0.01036655
-2.66784227 -3.79690144 -12.57838719
0.00035711 0.00026216 0.00034408
-0.00363457 -0.01897183 0.01224236
-0.98954507 -1.47504463 -13.22077214
0.00044238 -0.00107982 -0.00072748
-0.01417506 -0.01321936 -0.01273303
16.18641097 -7.65028530 -14.87528972
-0.00052980 0.00068003 0.00027184
-0.01037458 0.00099971 -0.00019046
16.67130088 -8.32290467 -12.11617483
-0.00019536 0.00012617 -0.00095513
-0.00260830 0.00851623 0.00476111
7.93705773 -3.79008739 6.23296525
0.00143253 0.00058078 -0.00101971
0.00559028 0.00405397 0.00092232
10.51951704 -4.26648889 5.09270758
-0.00024813 -0.00084043 -0.00030110
-0.00295834 0.00835400 0.02324567
-21.16335860 0.73138152 25.17737353
0.00057540 -0.00049108 0.00028512
0.03906873 0.01455714 -0.00384032
-19.17010133 2.89840640 25.91344996
-0.00053918 0.00003542 0.00065994
-0.00873903 0.00611886 0.00865041
25.33873262 -2.72286901 -7.20999535
-0.00062429 0.00085401 -0.00026828
-0.01113543 0.00929669 -0.01450757
23.56324408 -0.92776629 -9.10519958
-0.00071371 0.00029531 0.00035412
0.01962987 -0.00839488 0.00916349
11.75447945 -9.98886739 -9.55239859
0.00049995 -0.00058977 -0.00043987
0.00139877 -0.00512514 0.02303233
12.98074254 -9.42606552 -12.04338432
0.00047574 0.00009553 -0.00007170
-0.00989841 -0.00122563 -0.00363422
-7.38748345 -10.64265120 17.49633662
-0.00024529 -0.00045559 -0.00105431
0.01470728 -0.00015812 0.01811319
-10.29149910 -10.92124535 17.66695142
-0.00012285 0.00135380 0.00003607
0.01274142 0.00333744 -0.00469252
8.09975185 1.81511286 -29.30549553
0.00084510 -0.00099532 -0.00059673
-0.00404644 -0.00697602 -0.00514413
5.34620487 0.67654342 -28.46377385
-0.00033331 0.00000110 0.00060686
0.02147255 0.01401714 -0.00246862
14.18802476 19.32104199 13.59824025
-0.00123156 0.00002026 0.00029282
0.01064305 0.00162847 0.00329770
13.04901668 17.81792634 11.46945875
-0.00004365 0.00005045 0.00009949
0.01383819 -0.02091463 -0.03323992
27.83122012 7.70269583 -11.64191959
-0.00003829 0.00018018 0.00022136
-0.02011399 -0.00011604 0.00870789
26.03027016 7.62586492 -9.26105158
-0.00031856 -0.00008601 -0.00025535
0.01000597 0.00257930 0.01663614
-7.88296983 4.70689669 6.11218072
0.00012586 0.00007247 0.00008379
-0.00082270 -0.00576557 0.00348872
-10.41557746 9.16805489 2.95975276
0.00021746 -0.00008654 0.00017245
0.01155459 -0.00348883 0.01222744
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.07554734
0.28109651
374.54700631
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0591569767
ExchangeOperator: pair fraction: ispin=0: 0.1460897783
ExchangeOperator: bisection time: 1.422 s
total exchange = -52.3935875020 (a.u.)
total exchange computation time: 2.8422470093 s
-154.2038969866
-931.35928008
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0591569767
ExchangeOperator: pair fraction: ispin=0: 0.1460897783
ExchangeOperator: bisection time: 1.422 s
total exchange = -52.3931174452 (a.u.)
total exchange computation time: 2.8434629440 s
-154.2089398833
Anderson extrapolation: theta=1.3591744389 (1.3591744389)
-931.35951421
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0591569767
ExchangeOperator: pair fraction: ispin=0: 0.1460897783
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3924112330 (a.u.)
total exchange computation time: 2.8404018879 s
-154.2161020001
Anderson extrapolation: theta=0.0578424893 (0.0578424893)
-931.35965716
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0591569767
ExchangeOperator: pair fraction: ispin=0: 0.1460897783
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3923160977 (a.u.)
total exchange computation time: 2.8409988880 s
-154.2168191269
Anderson extrapolation: theta=2.0866156022 (2.0000000000)
-931.35966394
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0591569767
ExchangeOperator: pair fraction: ispin=0: 0.1460897783
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.3921093447 (a.u.)
total exchange computation time: 2.8409690857 s
-154.2183019628
Anderson extrapolation: theta=0.2904384493 (0.2904384493)
-931.35967254
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0591569767
ExchangeOperator: pair fraction: ispin=0: 0.1460897783
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.3920478964 (a.u.)
total exchange computation time: 2.8411269188 s
-154.2186880862
Anderson extrapolation: theta=1.5930638870 (1.5930638870)
-931.35967471
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0591569767
ExchangeOperator: pair fraction: ispin=0: 0.1460897783
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3919680894 (a.u.)
total exchange computation time: 2.8402919769 s
-154.2191380861
Anderson extrapolation: theta=0.3657279834 (0.3657279834)
-931.35967723
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0591569767
ExchangeOperator: pair fraction: ispin=0: 0.1460897783
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3919582989 (a.u.)
total exchange computation time: 2.8407340050 s
-154.2191385095
Anderson extrapolation: theta=1.1162726681 (1.1162726681)
-931.35967797
20.105208 -16.787829 -167.670084
562.373459 1074.591232 -405.445298
582.478666 1057.803403 -573.115382
1336.671492
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0591569767
ExchangeOperator: pair fraction: ispin=0: 0.1460897783
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3919625741 (a.u.)
total exchange computation time: 2.8407568932 s
679.19379596
-1084.60291603
89.74694686
-388.45981670
-174.84572601
78.69495950
551.60419304
0.00000000
-931.35967849
4.57245970 -30.89772799 -3.50645750
-0.00003170 -0.00016611 0.00004914
0.00641407 -0.00479805 -0.02225612
-11.82761152 2.08776353 -9.36953054
0.00041310 0.00009431 0.00021543
0.01529552 0.00080049 0.00946365
-36.20714437 1.36272255 3.10789597
-0.00001882 0.00017015 -0.00001693
-0.00838461 -0.06454399 0.03854346
-7.47972855 -3.52022200 2.60341819
0.00009190 0.00020813 0.00014786
0.02324737 0.00094439 0.01161491
2.25909401 0.10467269 8.98522333
-0.00007936 0.00002541 0.00024726
-0.00652111 0.00378146 0.00383720
-31.02885964 1.44851582 2.66251145
-0.00008962 0.00007397 -0.00019351
0.05044556 0.00049339 -0.00499443
16.92756617 13.21504718 -18.10046508
0.00002406 -0.00010798 -0.00034196
-0.02313983 -0.03621925 0.00465065
-3.42294616 5.16738710 5.54371430
-0.00000487 -0.00018466 -0.00016734
-0.01147792 -0.01504439 0.00235389
5.79428163 17.10521087 -6.95966483
-0.00017751 -0.00023041 -0.00015262
-0.04871972 -0.03415219 -0.03809514
7.26537894 5.72342927 -20.98104750
-0.00001140 0.00016249 0.00022608
-0.02726061 0.00163483 0.04789904
18.61847111 19.64814259 -5.12874570
0.00001364 0.00004920 0.00004664
-0.00474242 -0.00602558 0.01521363
1.95772879 13.94539096 -21.19651643
-0.00005027 0.00012463 -0.00012761
0.00205467 0.02090860 0.00089918
10.38363451 -5.30858640 0.41211196
0.00023401 0.00022867 0.00002489
0.00816151 -0.01706092 -0.01043547
-18.15130726 -4.10917739 5.34239403
0.00051250 -0.00039972 -0.00004068
0.01867614 0.02151691 -0.00167198
-14.26570832 -1.36334094 20.63061717
-0.00010385 0.00013647 0.00012647
0.00609192 0.00293717 -0.04993598
1.60042372 3.74234236 -3.99026155
0.00001440 0.00011859 -0.00019629
-0.00757605 -0.00471089 0.03275416
21.24117515 -10.64567304 -4.48021382
0.00015423 0.00011128 -0.00010326
0.01985831 0.02172706 0.05313017
3.05372347 -10.38640699 7.85983742
-0.00012222 -0.00015705 -0.00020373
0.02450995 -0.01186432 -0.01329436
-1.87774531 -1.80531436 -19.56477295
-0.00003815 0.00008462 -0.00034873
0.00466437 -0.01831862 -0.03481815
-0.37958818 3.57736357 -10.42914369
-0.00043223 0.00016789 -0.00035952
0.03809767 0.02029606 -0.02254620
-4.99380925 14.65928163 14.47926265
0.00004740 0.00007514 -0.00009348
-0.01530142 -0.00272449 -0.01699588
-5.40045792 2.72902223 -7.28351029
0.00018740 0.00023653 0.00022644
-0.01642302 -0.00964388 0.01800452
-9.22854453 0.81557312 -4.08222222
-0.00015547 0.00025020 0.00032662
0.02074946 -0.00633158 -0.03019047
2.89812166 27.48611380 5.83547112
-0.00009130 0.00007835 -0.00016493
-0.00486694 -0.01027554 -0.02689540
9.97378432 -10.79828803 -1.51987711
-0.00031074 -0.00018999 0.00006475
0.00135275 0.01540634 -0.01118648
-6.78458355 1.01442470 9.26333769
0.00008672 0.00016372 0.00010519
0.02340351 -0.01353099 -0.01126740
20.31634916 10.81466880 6.96196265
-0.00024983 -0.00002331 -0.00005668
0.03741061 0.00649147 -0.00145640
-3.08958246 1.09213739 -23.84291717
-0.00019105 0.00001758 -0.00018320
0.01944657 0.02160054 -0.04419661
-13.71202674 8.80092818 8.60442422
0.00039518 -0.00004655 0.00021964
0.00123240 -0.01435410 0.03523841
-13.53522821 6.06019679 -3.35830421
-0.00023184 -0.00000081 -0.00025751
0.00794945 -0.01390757 -0.00317076
-2.35003243 -15.40155225 20.54763998
-0.00016469 -0.00015810 -0.00010870
-0.01537214 -0.00590578 -0.00038339
-6.00399679 7.68500541 -8.00343904
0.00000051 0.00029906 0.00035494
0.00397378 0.01607317 -0.01548208
-19.70795631 30.39961989 0.96966116
0.00017129 -0.00018889 -0.00020018
-0.00697950 -0.02132844 0.00030209
9.84699765 3.81395182 7.95706286
0.00008164 0.00004378 0.00018884
0.01187613 -0.02168232 -0.00631370
7.21161033 16.05048031 -11.64413660
0.00011960 0.00027535 0.00018011
-0.00622240 -0.00474033 -0.00011164
13.68852157 5.05065751 -1.23989673
-0.00037532 -0.00027517 -0.00015528
0.02615968 -0.03149332 0.02284803
-6.07612088 11.48905167 -2.05369532
-0.00011267 0.00018829 0.00046089
0.01651539 0.01101605 0.01238203
7.84695633 12.61164943 5.26326454
-0.00009368 -0.00032359 -0.00000933
-0.00806644 0.04403686 -0.02548366
21.69354196 -11.97950024 -9.60080162
-0.00059553 0.00010051 0.00027962
0.03426344 -0.00489482 0.01863962
19.81150461 -5.92962887 -1.13442873
-0.00023935 0.00010020 0.00042518
-0.00199765 0.00336764 0.00464688
14.77707035 8.02391484 8.79289205
0.00034328 0.00005389 0.00013700
0.01685646 -0.01892050 0.01989250
3.81125359 -13.78662886 16.42167976
0.00013165 0.00006474 -0.00011794
0.01944892 0.02858835 -0.03653684
-2.57988955 -2.40269651 -13.68361116
-0.00005446 0.00025264 0.00013611
0.01593628 0.03199837 -0.00222002
15.50652221 -7.36843959 -13.16331279
0.00007978 -0.00012342 -0.00001527
0.00342257 -0.00672199 -0.00151172
9.72860364 -3.71154637 6.70352364
0.00016378 -0.00017070 -0.00007969
0.00436365 -0.00701712 -0.03214583
-19.39412252 1.41056666 24.88132856
-0.00003323 -0.00003357 -0.00013218
-0.03365631 -0.02358321 -0.00547317
24.25058500 -1.19786787 -7.41117686
-0.00023292 0.00013291 -0.00002167
-0.00285568 0.00532038 0.00960413
11.62904984 -10.48502701 -11.28256425
-0.00008813 0.00005116 -0.00021722
0.01303495 0.02360017 -0.01310007
-8.86926156 -10.76199224 16.48308830
0.00012668 0.00016883 -0.00004569
-0.05583821 -0.00310179 -0.03684322
6.88893430 1.59544179 -27.89547340
0.00024597 0.00001185 -0.00001426
-0.01174589 -0.01064552 -0.00262568
12.64316226 18.70121395 12.92130257
0.00011988 -0.00026130 -0.00029103
-0.03102240 0.01475090 0.03158143
26.02740281 7.54752393 -11.06959992
-0.00002241 0.00004983 0.00002402
0.02509836 -0.00380437 -0.03058915
5.19952816 -29.75140388 -4.83608136
-0.00018956 -0.00063752 -0.00042125
-0.00236148 -0.00198669 0.00865359
4.17870991 -29.85620910 -2.08868644
-0.00058838 0.00029029 0.00014404
-0.00586400 0.00178449 0.01301052
-10.05269933 2.12580417 -8.85705297
-0.00070180 0.00066837 -0.00002025
-0.01581293 -0.00053451 -0.00348442
-11.84653798 2.61536575 -11.12793276
0.00039675 -0.00034515 0.00019839
-0.00502108 0.00365049 -0.00440912
-36.88568109 2.94049470 2.59031308
0.00044921 0.00097865 0.00120869
-0.01533066 0.03147691 -0.00901348
-37.58806691 0.35409718 3.97337834
0.00003835 -0.00013695 0.00015352
0.02484176 0.02447734 -0.02483650
-8.57511407 -4.19651545 1.34168311
-0.00009350 0.00013521 -0.00033553
-0.02101712 -0.00845523 -0.01181513
-6.25743383 -4.86471599 2.87116458
-0.00017517 -0.00027414 -0.00031578
-0.00405683 0.00169778 0.00381485
2.84693653 -0.08405344 7.25224591
0.00067188 -0.00039551 -0.00067769
-0.00690377 0.00602380 0.00661839
1.61746529 1.82005760 9.34651768
0.00028398 -0.00050591 0.00001466
0.00663256 -0.01643062 -0.00946354
-30.11436553 -0.17736121 2.51786452
0.00072172 0.00105217 0.00062964
-0.00162938 0.01091134 0.00372682
-32.69095279 0.89372325 2.80103995
-0.00068003 -0.00002103 -0.00015542
-0.04786150 -0.00551268 0.00542716
15.55501013 11.87489144 -18.37471900
-0.00024347 -0.00127931 -0.00038300
0.02935217 0.03189640 0.00595343
18.23609461 12.26490058 -17.08098386
-0.00041051 0.00089686 -0.00136561
-0.00745122 0.00749932 -0.00915467
-3.03377284 6.77942122 6.26493043
0.00021086 -0.00012914 -0.00014017
0.00560675 0.01232902 0.00158587
-3.03329253 5.23993426 3.78649614
0.00003061 -0.00036579 0.00084498
0.00666146 0.00508120 -0.00833999
5.82138370 16.54882709 -8.82505860
0.00042031 0.00028822 0.00050430
0.00487103 0.00212084 0.02936707
7.15144607 18.18523619 -6.99072970
-0.00014877 0.00022406 0.00051414
0.04655084 0.03359783 0.00787718
7.46183116 5.06208269 -22.63965142
0.00041328 -0.00101944 -0.00046888
0.01903035 0.01526593 -0.02451150
8.55508757 6.88894915 -20.34264620
0.00028194 0.00046178 -0.00027732
0.00276473 -0.00587127 -0.01723361
19.21510232 21.04795519 -3.98421043
-0.00010386 -0.00063772 -0.00080073
-0.00018059 -0.00665898 -0.02320195
19.43109185 19.52933270 -6.74514402
-0.00023504 0.00002826 -0.00067145
0.01013921 0.01110765 0.00610498
1.54263211 12.34077907 -20.51289200
-0.00031336 -0.00006765 -0.00013860
0.00246284 -0.01864467 0.00232301
0.37234168 14.59511571 -21.85232420
0.00113105 0.00109407 -0.00142184
-0.00251703 0.00375952 0.00003780
10.39884914 -6.86757482 -0.58959729
-0.00109255 -0.00058083 0.00112450
0.00043446 0.00416100 0.00778191
9.75401173 -4.06453307 -0.79207027
-0.00007691 -0.00112865 0.00086372
-0.01037098 0.00967164 0.00255031
-18.21665561 -5.08376414 6.84296117
0.00024786 -0.00068569 0.00019197
-0.00683273 -0.01521454 0.01233650
-18.68115899 -5.12985082 3.95573842
0.00004828 0.00046116 -0.00030724
-0.00879720 -0.01077755 -0.00820859
-14.32703801 -0.16245343 19.08370397
0.00005927 -0.00015148 0.00032810
-0.00436438 -0.01770675 0.03589526
-14.15158912 -0.48548295 22.20486580
-0.00049979 0.00009742 0.00009541
-0.00277439 0.01620218 0.00821024
1.22610121 3.00634677 -2.30965645
-0.00036905 -0.00129676 -0.00064502
0.00534325 0.01334785 -0.01457710
2.05519413 2.22480509 -4.84326663
-0.00016238 0.00059162 -0.00036354
0.00249963 -0.01088584 -0.01811194
21.83400004 -10.58290628 -6.13458841
-0.00109816 -0.00006798 0.00045574
-0.00200198 0.00030852 -0.04294890
22.69857343 -9.81531961 -3.61173827
-0.00086999 -0.00082989 -0.00008683
-0.02205789 -0.01258776 -0.00389859
4.69439564 -10.38408690 6.92139826
0.00087946 -0.00022017 -0.00047169
-0.02140335 0.00028911 0.01400596
3.20084157 -11.84547170 9.01925845
0.00078075 0.00013221 -0.00003916
-0.00229877 0.01234702 -0.00440726
-2.10204334 -3.22706433 -20.80771699
-0.00019153 0.00019124 0.00004796
0.00681547 0.01325820 0.01873308
-3.42160193 -1.82536139 -18.65416081
-0.00017898 -0.00065848 0.00050922
-0.01074809 0.00051367 0.01396237
0.53950550 5.03531374 -9.79967647
0.00099170 0.00031990 -0.00063043
0.01151020 -0.00149895 -0.01930542
-1.46641283 3.51739257 -9.08727663
0.00017696 -0.00057664 0.00113204
-0.05054644 -0.01729485 0.04197943
-3.75955169 15.35530942 15.56215655
0.00036990 0.00118802 0.00028761
0.01008751 0.00370250 0.01428231
-6.61732757 14.92942826 15.28590837
-0.00087088 0.00053879 -0.00093738
0.00580671 -0.00257915 -0.00157606
-6.80242824 1.95174667 -6.30203439
-0.00003868 -0.00003227 0.00019911
0.01183787 0.00921304 0.00007884
-4.85069054 1.34073785 -8.27919884
0.00019145 -0.00005406 -0.00004217
0.00364006 -0.00676472 -0.01343444
-10.05530190 -0.67674722 -3.59072053
0.00056518 -0.00047633 -0.00097839
-0.01168349 -0.01922595 0.00526504
-9.55106482 2.05375331 -2.84609430
-0.00012984 -0.00008215 -0.00044964
-0.00263701 0.02783208 0.01955279
3.09747777 29.04451829 4.94485579
0.00056806 -0.00054670 -0.00049555
-0.00168103 0.00984208 -0.00662959
3.30404997 27.78234735 7.52177569
-0.00024108 -0.00083810 0.00121738
0.00692701 0.00830018 0.03663834
8.26455527 -10.67014505 -0.97899986
0.00065737 -0.00098688 0.00017505
-0.02073450 0.00261316 -0.00743435
10.80304570 -11.04780995 0.09969160
-0.00038696 -0.00019340 0.00054434
0.00860186 -0.01035920 0.00237054
-5.21171782 -0.00418302 8.75771877
-0.00066942 -0.00044923 -0.00033242
-0.03740943 0.01185235 0.01087621
-8.27610243 -0.05614319 9.15434696
-0.00020945 -0.00035568 -0.00048485
0.01357943 -0.00099184 -0.00067481
20.34853973 11.05702674 8.82883642
0.00006027 -0.00027306 -0.00080317
0.00837243 -0.00637979 -0.02520719
22.18236766 11.09603855 6.35515474
-0.00069774 -0.00084351 0.00064955
-0.04407592 -0.00426278 0.03086661
-2.87542811 0.10134044 -22.42246683
0.00010160 -0.00151212 -0.00038987
0.00921977 -0.02726913 0.05065309
-4.83652652 1.18547284 -24.13145605
0.00137667 0.00051829 0.00025899
-0.03008506 0.00641841 -0.00473357
-12.56193270 9.77197204 9.78348252
0.00018259 0.00058537 -0.00058124
-0.01143488 -0.01103968 -0.01962656
-13.50915859 9.58539453 7.01261850
0.00026813 -0.00063869 0.00028099
-0.00000395 0.01165808 -0.01343222
-14.32499613 4.90509797 -4.53699386
-0.00106235 -0.00017758 0.00072224
-0.00248476 0.00129160 -0.00389838
-13.91094913 7.75224557 -3.84695349
0.00105561 -0.00071167 -0.00066882
-0.00573809 0.00697468 -0.00432857
-4.17356862 -15.59028322 20.23913669
-0.00074690 -0.00004685 0.00033353
0.01777487 -0.00185622 0.00322838
-1.53538528 -16.70793435 19.54193157
-0.00035356 0.00008384 0.00016193
-0.00944376 0.00661805 -0.00018285
-5.53531923 6.01677636 -7.49461004
0.00124128 0.00036247 -0.00038862
-0.00663542 -0.01315319 0.00403112
-7.43738305 8.29118393 -7.03582326
-0.00034191 0.00038469 0.00027668
0.00277892 0.00262361 0.00229887
-21.07275774 29.20627492 0.53963118
0.00101133 -0.00054378 0.00115208
0.01099175 0.01844048 0.00341733
-18.15522689 29.39209686 0.83020212
0.00006071 0.00005591 -0.00135342
-0.00378983 0.00673475 0.00206007
9.35325479 2.76353681 6.53320851
-0.00050489 -0.00066209 -0.00084745
-0.00364294 0.00394754 0.00202970
9.08028214 5.44694419 7.78600593
-0.00041750 0.00063955 -0.00071061
-0.00465701 0.01641231 0.00294519
7.97056329 17.54334581 -12.31395824
-0.00094977 0.00029763 0.00002821
0.00518579 0.01337157 -0.00229580
8.48584257 14.83137522 -12.10243546
0.00033493 0.00003756 -0.00072089
-0.00180484 -0.01101213 0.00281422
12.13199606 5.87610456 -1.10925467
0.00070764 -0.00052111 0.00036025
-0.02832785 0.02209327 -0.00777493
13.66408380 4.04811981 0.35921227
-0.00046684 -0.00066034 0.00016918
0.00696118 0.00625593 -0.01623532
-4.23070757 11.12753212 -2.05530322
-0.00008392 -0.00072071 -0.00000003
-0.02549437 -0.00948495 0.01020727
-7.21530743 10.79659896 -0.75113985
-0.00004548 0.00056603 -0.00024360
0.03128003 -0.00154123 -0.00772502
7.35600010 14.35398572 4.67003964
0.00015078 0.00023891 0.00051152
0.00868004 -0.03344240 0.01287480
9.10723875 12.08140261 4.00832928
-0.00071034 0.00041578 0.00137373
-0.00327299 -0.00236050 0.00820115
20.50463087 -13.09749288 -8.81308828
0.00043942 0.00037716 -0.00019832
-0.01542339 -0.00123160 0.00236267
23.31930863 -12.43955864 -8.71166031
0.00009333 -0.00034521 -0.00064887
-0.02874594 0.00873304 -0.02262366
20.00987445 -4.86547286 -2.64355801
-0.00024732 -0.00028222 0.00049026
-0.01265176 -0.00869994 0.00228524
18.23961337 -6.90274236 -1.26420385
0.00034117 0.00052173 0.00028603
0.01118463 0.00738918 -0.00426018
13.93994397 9.61185090 8.74779231
0.00033652 -0.00012350 0.00087403
-0.00561243 0.00286265 0.00516600
15.11539099 7.63422911 10.61731439
0.00040925 -0.00028536 0.00058030
-0.00394813 0.01119834 -0.01864205
3.01737782 -15.14586332 17.24087162
-0.00031921 0.00012128 0.00065584
-0.01803624 -0.01611535 0.02496463
3.52316377 -12.12438635 17.16369757
-0.00119144 -0.00015841 0.00025212
-0.00000693 -0.01525077 0.00926382
-2.66259695 -3.79355043 -12.57285087
0.00034156 0.00018610 0.00039208
-0.00397925 -0.01825707 0.01125612
-0.98334371 -1.49164707 -13.23207458
0.00038845 -0.00112894 -0.00077821
-0.01222610 -0.01082412 -0.01209812
16.17814598 -7.64005424 -14.87121802
-0.00056930 0.00068270 0.00026399
-0.00895924 0.00030773 -0.00365083
16.66829058 -8.32075109 -12.13035588
-0.00019745 0.00015415 -0.00092804
0.00158250 0.00517690 0.00849955
7.95871700 -3.78125140 6.21769780
0.00143949 0.00059731 -0.00101696
-0.00218217 0.00403424 0.00042633
10.51570449 -4.27883932 5.08890342
-0.00025834 -0.00080515 -0.00020391
-0.00204097 0.00891367 0.02433070
-21.15353036 0.72446145 25.18153259
0.00073027 -0.00043317 0.00026920
0.03673929 0.01378653 -0.00395229
-19.17845680 2.89912527 25.92361413
-0.00057480 0.00005551 0.00069147
-0.00869864 0.00371420 0.00678300
25.32902700 -2.70977399 -7.21446410
-0.00066412 0.00088316 -0.00032665
-0.00836087 0.00497212 -0.01406435
23.55313989 -0.92359383 -9.09960699
-0.00063411 0.00026126 0.00038917
0.01933530 -0.00827460 0.00799316
11.76202151 -9.99787104 -9.55829088
0.00050550 -0.00060956 -0.00034048
0.00132111 -0.00456271 0.02561853
12.98757537 -9.42467016 -12.04457119
0.00043189 0.00008820 -0.00008539
-0.01156859 -0.00236340 -0.00306805
-7.39071209 -10.64948985 17.48107702
-0.00017348 -0.00045486 -0.00097201
0.02044457 0.00051401 0.02217106
-10.29295137 -10.90083603 17.66734866
-0.00006882 0.00136683 0.00001620
0.01370648 0.00303771 -0.00503461
8.11230429 1.79996933 -29.31460408
0.00082274 -0.00102379 -0.00061150
-0.00689507 -0.00696363 -0.00208615
5.34186320 0.67698939 -28.45474661
-0.00024230 0.00005987 0.00059706
0.02307991 0.01475341 -0.00232570
14.16987748 19.32139583 13.60273357
-0.00117539 0.00003168 0.00031080
0.01685418 0.00395967 0.00550278
13.04878599 17.81804220 11.46993245
0.00001595 -0.00003901 -0.00004320
0.01533527 -0.02287638 -0.03660458
27.83002946 7.70539499 -11.63833236
-0.00011932 0.00017954 0.00025666
-0.01955266 -0.00019563 0.00857049
26.02579839 7.62465374 -9.26437208
-0.00027740 -0.00007537 -0.00018290
0.01014199 0.00263079 0.01883066
-7.88108414 4.70796824 6.11344700
0.00012555 0.00007042 0.00008505
-0.00090329 -0.00568381 0.00352640
-10.41229551 9.16675078 2.96236075
0.00022013 -0.00008733 0.00017528
0.01152008 -0.00338219 0.01217837
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.07523193
0.28444656
379.01077630
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0594476744
ExchangeOperator: pair fraction: ispin=0: 0.1475608437
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.4025440585 (a.u.)
total exchange computation time: 2.8542602062 s
-154.2344793114
-931.36197896
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0594476744
ExchangeOperator: pair fraction: ispin=0: 0.1475608437
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.4019702258 (a.u.)
total exchange computation time: 2.8553171158 s
-154.2401830796
Anderson extrapolation: theta=1.3619681697 (1.3619681697)
-931.36220528
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0594476744
ExchangeOperator: pair fraction: ispin=0: 0.1475608437
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.4010931752 (a.u.)
total exchange computation time: 2.8559908867 s
-154.2483843669
Anderson extrapolation: theta=0.0594077818 (0.0594077818)
-931.36234347
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0594476744
ExchangeOperator: pair fraction: ispin=0: 0.1475608437
ExchangeOperator: bisection time: 1.422 s
total exchange = -52.4009667845 (a.u.)
total exchange computation time: 2.8529748917 s
-154.2492566726
Anderson extrapolation: theta=2.1088474612 (2.0000000000)
-931.36234999
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0594476744
ExchangeOperator: pair fraction: ispin=0: 0.1475608437
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.4006932795 (a.u.)
total exchange computation time: 2.8534519672 s
-154.2510591645
Anderson extrapolation: theta=0.2937774840 (0.2937774840)
-931.36235793
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0594476744
ExchangeOperator: pair fraction: ispin=0: 0.1475608437
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.4006112099 (a.u.)
total exchange computation time: 2.8576679230 s
-154.2515377034
Anderson extrapolation: theta=1.4707706757 (1.4707706757)
-931.36235980
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0594476744
ExchangeOperator: pair fraction: ispin=0: 0.1475608437
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.4005111007 (a.u.)
total exchange computation time: 2.8540940285 s
-154.2520638700
Anderson extrapolation: theta=0.3663646555 (0.3663646555)
-931.36236173
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0594476744
ExchangeOperator: pair fraction: ispin=0: 0.1475608437
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.4004964235 (a.u.)
total exchange computation time: 2.8534529209 s
-154.2520819890
Anderson extrapolation: theta=1.0687091122 (1.0687091122)
-931.36236231
20.101001 -16.811370 -167.658173
562.340773 1074.564449 -405.479184
582.441774 1057.753079 -573.137357
1336.625013
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0594476744
ExchangeOperator: pair fraction: ispin=0: 0.1475608437
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.4004980874 (a.u.)
total exchange computation time: 2.8544249535 s
679.32063227
-1084.87206929
89.73478879
-388.27800691
-174.86720948
78.84275200
551.60419304
0.00000000
-931.36236271
4.57200899 -30.90023820 -3.50580626
-0.00002865 -0.00016813 0.00003852
0.00542110 -0.00302620 -0.01904252
-11.82135602 2.08918130 -9.36626258
0.00041893 0.00009463 0.00021980
0.00735765 0.00041760 0.00750813
-36.20745904 1.36502585 3.10779070
-0.00002332 0.00013726 0.00000283
-0.00911969 -0.06337480 0.03831265
-7.47826037 -3.51709637 2.60568089
0.00010334 0.00020794 0.00015307
0.02123944 -0.00167338 0.00866337
2.25787849 0.10506847 8.98894705
-0.00008154 0.00002591 0.00024701
-0.00197087 -0.00186594 -0.00480906
-31.03000931 1.44962722 2.65958960
-0.00006558 0.00007468 -0.00019579
0.04303030 0.00228462 -0.00389418
16.92783780 13.21328773 -18.10557657
0.00001014 -0.00012652 -0.00034075
-0.03100456 -0.03586491 0.00007024
-3.42306351 5.16455910 5.54121330
-0.00001116 -0.00019213 -0.00016394
-0.01297396 -0.01400250 0.01085937
5.79143107 17.10162297 -6.96210113
-0.00020152 -0.00024694 -0.00017134
-0.04464538 -0.03010807 -0.03467164
7.26510281 5.72587299 -20.97747157
-0.00002483 0.00016266 0.00024857
-0.02498379 -0.00100649 0.03955666
18.61865734 19.64885738 -5.12798738
0.00001120 0.00004485 0.00005252
-0.00472806 -0.01088633 0.00764909
1.95698265 13.94734103 -21.19842708
-0.00004870 0.00013491 -0.00012684
0.00405318 0.01906269 0.00207424
10.38717612 -5.30522218 0.41244511
0.00023894 0.00021807 0.00002113
0.01102511 -0.02415792 -0.00418201
-18.14354773 -4.11509018 5.34177739
0.00052215 -0.00038885 -0.00004065
0.01886030 0.02075750 0.00178379
-14.26724253 -1.36128254 20.63232166
-0.00010075 0.00013765 0.00010115
0.00596873 0.00164167 -0.04853559
1.60061056 3.74410297 -3.99307950
0.00001026 0.00011634 -0.00017880
-0.00853687 -0.00402635 0.03523710
21.24356522 -10.64392010 -4.48155775
0.00016214 0.00012144 -0.00007469
0.01091145 0.01779185 0.05798183
3.05198470 -10.38880848 7.85673016
-0.00010817 -0.00016310 -0.00021125
0.03014288 -0.01167542 -0.01595130
-1.87829950 -1.80411572 -19.57013816
-0.00003688 0.00007555 -0.00036557
0.00024005 -0.01695875 -0.03067710
-0.38592467 3.57996027 -10.43462341
-0.00041357 0.00017916 -0.00036899
0.03445317 0.02353050 -0.01428197
-4.99315733 14.66039827 14.47779495
0.00004020 0.00007458 -0.00010075
-0.01268772 0.00053582 -0.01127943
-5.39771033 2.73253304 -7.28004427
0.00017901 0.00023072 0.00023534
-0.01619252 -0.01294820 0.01661115
-9.23079655 0.81930164 -4.07743938
-0.00014430 0.00024582 0.00030962
0.02269534 -0.01067345 -0.03593004
2.89673341 27.48724938 5.83289346
-0.00009330 0.00007267 -0.00017577
-0.00289520 -0.01181396 -0.01526441
9.96912837 -10.80107851 -1.51894899
-0.00030782 -0.00018225 0.00005920
0.01002807 0.01472224 -0.01040048
-6.78319241 1.01682833 9.26487212
0.00009758 0.00015596 0.00009928
0.01880258 -0.01663963 -0.01172733
20.31274600 10.81434416 6.96110682
-0.00023109 -0.00002034 -0.00005822
0.03545960 0.00508272 -0.00454530
-3.09237326 1.09248437 -23.84583559
-0.00017699 0.00002726 -0.00020338
0.03523499 0.01606752 -0.03429701
-13.70609424 8.80017460 8.60785477
0.00039543 -0.00005428 0.00023786
-0.00028312 -0.01570214 0.03560953
-13.53867517 6.06013102 -3.36217904
-0.00022730 -0.00000952 -0.00025839
0.00972991 -0.01995116 -0.00026334
-2.35256213 -15.40394656 20.54600795
-0.00017372 -0.00016054 -0.00010851
-0.01974135 -0.00357444 0.00112663
-6.00397385 7.68955331 -7.99817464
0.00000233 0.00030750 0.00034701
0.00311614 0.01673415 -0.01535629
-19.70541387 30.39670419 0.96665963
0.00016846 -0.00019911 -0.00019975
-0.00401607 -0.01838499 0.00135342
9.84826804 3.81452487 7.95987104
0.00008630 0.00003278 0.00018348
0.00623785 -0.02106954 -0.01452594
7.21338026 16.05459232 -11.64143535
0.00011680 0.00027154 0.00018000
-0.00465737 -0.01008507 -0.00033651
13.68299273 5.04640849 -1.24213778
-0.00035987 -0.00029282 -0.00014310
0.03389779 -0.03713975 0.02451756
-6.07774716 11.49191856 -2.04673414
-0.00010322 0.00019435 0.00046625
0.02020666 0.01252571 0.00844871
7.84552008 12.60696541 5.26302633
-0.00009975 -0.00029976 -0.00002057
-0.01556947 0.04862243 -0.01822633
21.68474121 -11.97801147 -9.59653549
-0.00057612 0.00009924 0.00028828
0.04120013 -0.00005887 0.01507256
19.80790672 -5.92811282 -1.12803314
-0.00023933 0.00010241 0.00042785
0.00204922 0.00521179 0.00575221
14.78228454 8.02465025 8.79502378
0.00035221 0.00004375 0.00014794
0.01787479 -0.02052786 0.02264130
3.81330339 -13.78554751 16.41976968
0.00014077 0.00007859 -0.00013569
0.01601610 0.02528110 -0.03248716
-2.58064496 -2.39878341 -13.68157810
-0.00004684 0.00026804 0.00013518
0.01367596 0.02786753 -0.00140347
15.50773215 -7.37031688 -13.16354765
0.00008009 -0.00012584 -0.00001609
-0.00223441 -0.00267388 -0.00169960
9.73107711 -3.71413390 6.70220433
0.00016781 -0.00017440 -0.00009615
0.01133833 -0.00738925 -0.03188079
-19.39475078 1.40997214 24.87932472
-0.00004970 -0.00004470 -0.00013447
-0.03041123 -0.01969838 -0.00341649
24.24708013 -1.19585362 -7.41146489
-0.00023512 0.00013680 -0.00001650
-0.00569794 0.00979214 0.01050208
11.62777811 -10.48416850 -11.28587301
-0.00008100 0.00006353 -0.00022456
0.01471265 0.02449124 -0.01546782
-8.86757675 -10.75947180 16.48226077
0.00009658 0.00016723 -0.00006541
-0.06122767 -0.00311430 -0.03982216
6.89257856 1.59557848 -27.89569746
0.00024035 0.00000634 -0.00001639
-0.01012140 -0.01078428 -0.00565619
12.64484077 18.69735136 12.91705892
0.00010217 -0.00025404 -0.00027488
-0.03782569 0.01349686 0.03120979
26.02716350 7.54825678 -11.06935758
-0.00000978 0.00004783 0.00000804
0.02399604 -0.00399789 -0.03154563
5.19661233 -29.76102760 -4.84213486
-0.00019930 -0.00064486 -0.00038514
-0.00240210 -0.00160636 0.00901776
4.16970446 -29.85180012 -2.08612713
-0.00061005 0.00029310 0.00019010
-0.00474152 -0.00040818 0.00953485
-10.06371092 2.13581334 -8.85746356
-0.00074947 0.00066631 -0.00002889
-0.00752003 -0.00047192 -0.00074095
-11.84074054 2.61030037 -11.12509202
0.00037530 -0.00032965 0.00017894
-0.00548151 0.00393775 -0.00511246
-36.87941265 2.95613905 2.60816720
0.00038760 0.00110394 0.00117273
-0.01482920 0.02984951 -0.00859018
-37.58673036 0.35279292 3.97492013
0.00014011 -0.00003569 0.00005137
0.02496977 0.02509140 -0.02517052
-8.57716062 -4.19474643 1.33628814
-0.00017435 0.00010466 -0.00037774
-0.01855697 -0.00649768 -0.00884620
-6.26018577 -4.86877601 2.86654481
-0.00019232 -0.00026609 -0.00030002
-0.00433379 0.00224331 0.00389923
2.85680317 -0.08980156 7.24228342
0.00063818 -0.00036885 -0.00063482
-0.00959152 0.00703019 0.01436317
1.62192823 1.81196544 9.34644755
0.00030753 -0.00056415 -0.00002256
0.00489763 -0.01207797 -0.00875626
-30.10358959 -0.16124436 2.52742337
0.00071605 0.00109059 0.00064373
-0.00114826 0.00789939 0.00316899
-32.70261982 0.89323891 2.79887488
-0.00086187 -0.00004080 -0.00013457
-0.04115041 -0.00416589 0.00478347
15.55225748 11.85667920 -18.38028153
-0.00011756 -0.00114236 -0.00035744
0.03228084 0.03514130 0.00655721
18.22970871 12.27858327 -17.10174849
-0.00043194 0.00092050 -0.00139554
-0.00304313 0.00407481 -0.00549835
-3.03043807 6.77786196 6.26287641
0.00023307 -0.00008103 -0.00013417
0.00526436 0.01121855 0.00135106
-3.03262919 5.23460316 3.79891522
0.00006158 -0.00034482 0.00079406
0.00849601 0.00518291 -0.01658165
5.82783767 16.55321536 -8.81659414
0.00043933 0.00029428 0.00061701
0.00443529 0.00084537 0.02580427
7.15064095 18.18962656 -6.98277624
0.00003377 0.00035562 0.00054712
0.04280588 0.03080436 0.00826505
7.46861352 5.04725892 -22.64743571
0.00048872 -0.00094971 -0.00055130
0.01789929 0.01886418 -0.01583549
8.55940137 6.89569592 -20.34733408
0.00029146 0.00043600 -0.00034832
0.00189649 -0.00674783 -0.01752309
19.21353884 21.03818528 -3.99693233
-0.00010095 -0.00065578 -0.00088862
0.00160567 -0.00217956 -0.01981991
19.42787698 19.53009690 -6.75502876
-0.00019770 0.00007416 -0.00063857
0.00813738 0.01136451 0.00999399
1.53800717 12.33919294 -20.51489978
-0.00030418 -0.00013858 -0.00013169
0.00203282 -0.01607579 0.00105818
0.38923026 14.61164204 -21.87365069
0.00111715 0.00110794 -0.00142111
-0.00428469 0.00302719 0.00032249
10.38247415 -6.87615981 -0.57249126
-0.00109023 -0.00056264 0.00115628
0.00070140 0.00474468 0.00777195
9.75254035 -4.08116641 -0.77903632
-0.00012540 -0.00107614 0.00086125
-0.01336921 0.01603156 -0.00375882
-18.21314710 -5.09451573 6.84621876
0.00022017 -0.00074468 0.00023616
-0.00672177 -0.01365986 0.00929400
-18.68070440 -5.12326360 3.95087832
0.00001158 0.00041556 -0.00034153
-0.00916435 -0.01154530 -0.00857935
-14.32628270 -0.16526821 19.08972542
0.00004128 -0.00022147 0.00047219
-0.00444200 -0.01655382 0.03463664
-14.15917102 -0.48352521 22.20654856
-0.00051103 0.00016382 0.00012881
-0.00272622 0.01630367 0.00813808
1.22072926 2.98730432 -2.31977840
-0.00034742 -0.00123946 -0.00070542
0.00524405 0.01470079 -0.01498927
2.05283511 2.23334575 -4.84927468
-0.00015021 0.00054304 -0.00044168
0.00345421 -0.01289252 -0.02014134
21.81746634 -10.58391660 -6.12906837
-0.00110030 -0.00006582 0.00026439
0.00095253 0.00074910 -0.05071817
22.68484761 -9.82815363 -3.61316019
-0.00094781 -0.00087435 -0.00009688
-0.01603262 -0.00917773 -0.00102225
4.70693165 -10.38738064 6.91475204
0.00078182 -0.00021847 -0.00040962
-0.02639288 0.00054567 0.01637864
3.21248230 -11.84311024 9.01853597
0.00077016 0.00018199 -0.00005657
-0.00288127 0.01202149 -0.00411296
-2.10470741 -3.22378953 -20.80642361
-0.00016374 0.00024176 0.00012154
0.00678811 0.01147164 0.01728753
-3.42461592 -1.83522278 -18.64609468
-0.00021367 -0.00065592 0.00056094
-0.00623543 0.00073580 0.01135473
0.55473364 5.04006634 -9.80972457
0.00103051 0.00030460 -0.00071141
0.00749169 -0.00598974 -0.02033500
-1.46530731 3.50821301 -9.06900963
-0.00001382 -0.00064464 0.00128892
-0.04284275 -0.01599396 0.03481344
-3.75369403 15.37324319 15.56690835
0.00039814 0.00119699 0.00033645
0.00373720 0.00069035 0.00962388
-6.63021285 14.93743114 15.27179941
-0.00083952 0.00052764 -0.00094577
0.00954356 -0.00288218 -0.00253069
-6.80264570 1.95154499 -6.29904536
0.00001148 0.00000681 0.00019836
0.01271665 0.00991400 -0.00044603
-4.84770731 1.33971962 -8.28024313
0.00020402 -0.00007621 -0.00009332
0.00251354 -0.00407642 -0.01160339
-10.04718215 -0.68448135 -3.60523497
0.00051716 -0.00055356 -0.00095548
-0.01182599 -0.01857967 0.00594550
-9.55309329 2.05337385 -2.85223980
-0.00014418 0.00003868 -0.00036002
-0.00438030 0.03131850 0.02431935
3.10594716 29.03661931 4.93721938
0.00056260 -0.00050148 -0.00052273
-0.00099379 0.01229795 -0.00667568
3.30064602 27.77003024 7.54115904
-0.00021812 -0.00080602 0.00134323
0.00431027 0.00739976 0.02497035
8.27378048 -10.68486815 -0.97660186
0.00055627 -0.00097529 0.00014836
-0.02875519 0.00305954 -0.00563209
10.79750491 -11.05102836 0.10792939
-0.00035267 -0.00023529 0.00054898
0.00818215 -0.01014485 -0.00009955
-5.22290552 -0.01055830 8.75306575
-0.00081825 -0.00040014 -0.00028799
-0.03544041 0.01217767 0.01087377
-8.27882808 -0.06150882 9.14705356
-0.00014849 -0.00035377 -0.00048654
0.01626275 0.00192659 -0.00015500
20.34970035 11.05273529 8.81601639
0.00009322 -0.00029802 -0.00089531
0.00775607 -0.00583809 -0.01989164
22.17055093 11.08325525 6.36584389
-0.00087150 -0.00085960 0.00077129
-0.04097865 -0.00361075 0.02872623
-2.87362152 0.07782297 -22.42676273
0.00013696 -0.00161347 -0.00019745
0.00808645 -0.02234228 0.04353644
-4.81679837 1.19344394 -24.12771631
0.00122433 0.00054644 0.00023492
-0.04448606 0.00736073 -0.00704719
-12.55954428 9.78041428 9.77416252
0.00013823 0.00054110 -0.00065751
-0.01027691 -0.01063001 -0.01771115
-13.50513673 9.57617143 7.01642177
0.00026824 -0.00058952 0.00022103
0.00005819 0.01241095 -0.01591970
-14.34100753 4.90247384 -4.52627970
-0.00107322 -0.00017392 0.00070392
-0.00283497 0.00049870 -0.00507016
-13.89529082 7.74178421 -3.85711844
0.00102913 -0.00067004 -0.00069026
-0.00722525 0.01340402 -0.00616505
-4.18422751 -15.59104291 20.24423858
-0.00066779 -0.00005443 0.00034716
0.02095218 -0.00185074 0.00344163
-1.54097800 -16.70647394 19.54435488
-0.00038984 0.00010629 0.00015786
-0.00831818 0.00437177 -0.00181009
-5.51690338 6.02181033 -7.50031574
0.00121195 0.00031030 -0.00037109
-0.00771976 -0.01238397 0.00454676
-7.44242653 8.29703469 -7.03160260
-0.00032721 0.00039200 0.00028472
0.00441809 0.00095548 0.00163762
-21.05725100 29.19868323 0.55701705
0.00104740 -0.00047441 0.00116319
0.00666492 0.01551709 0.00202253
-18.15443238 29.39314194 0.80996402
0.00004784 0.00008330 -0.00134426
-0.00251005 0.00667207 0.00242247
9.34556976 2.75372637 6.52055895
-0.00051399 -0.00063540 -0.00082429
-0.00081092 0.00911840 0.00930716
9.07387696 5.45704035 7.77543699
-0.00043027 0.00069441 -0.00069625
-0.00159710 0.01044173 0.00408801
7.95647572 17.54822002 -12.31360548
-0.00092595 0.00035625 0.00001662
0.00647028 0.01532276 -0.00337862
8.49081118 14.83160122 -12.11316253
0.00032188 -0.00000055 -0.00070722
-0.00458144 -0.00764655 0.00387699
12.14174262 5.86896494 -1.10408909
0.00057555 -0.00042124 0.00032968
-0.03633313 0.02679375 -0.00719319
13.65729452 4.03840644 0.36125253
-0.00043758 -0.00063269 0.00009855
0.00736311 0.00727710 -0.01834077
-4.23274760 11.11643076 -2.05499083
-0.00019037 -0.00075851 0.00004205
-0.02661537 -0.00901595 0.01038848
-7.21503111 10.80504211 -0.75503056
0.00007664 0.00055555 -0.00026818
0.02849981 -0.00358729 -0.00430714
7.35852777 14.35654463 4.67810697
0.00018631 0.00009983 0.00056467
0.00871297 -0.03463790 0.01314305
9.09648332 12.08756692 4.02918660
-0.00070865 0.00039975 0.00139177
0.00410291 -0.00548482 0.00062902
20.51074959 -13.09187320 -8.81599063
0.00036497 0.00036116 -0.00018129
-0.02102313 -0.00659974 0.00597279
23.31982770 -12.44446925 -8.72208655
-0.00002665 -0.00030816 -0.00074150
-0.02998325 0.00940448 -0.02271921
20.00577689 -4.86997278 -2.63613406
-0.00029790 -0.00031536 0.00049691
-0.01210410 -0.00752138 0.00097001
18.24507368 -6.89468993 -1.26004388
0.00037791 0.00054555 0.00026854
0.00680045 0.00426694 -0.00430288
13.94481976 9.61008611 8.76106105
0.00031209 -0.00010931 0.00089467
-0.00634434 0.00408312 0.00493570
15.12140877 7.63029190 10.62544764
0.00039257 -0.00023885 0.00049922
-0.00421554 0.01156803 -0.02104907
3.01203695 -15.14453790 17.25147421
-0.00038757 0.00006250 0.00075141
-0.01542597 -0.01266079 0.02181699
3.50529197 -12.12722977 17.16776326
-0.00118972 -0.00022121 0.00028776
0.00084817 -0.01549002 0.00817927
-2.65759551 -3.79131833 -12.56662471
0.00032471 0.00011447 0.00043490
-0.00427039 -0.01680680 0.00970098
-0.97789165 -1.50891287 -13.24411847
0.00034336 -0.00116792 -0.00082610
-0.00984386 -0.00825687 -0.01134458
16.16933192 -7.62980432 -14.86737006
-0.00060292 0.00068259 0.00024186
-0.00749501 -0.00036230 -0.00718162
16.66537727 -8.31828023 -12.14401602
-0.00018212 0.00016821 -0.00088566
0.00592386 0.00170554 0.01224352
7.98024254 -3.77216816 6.20245647
0.00141405 0.00061391 -0.00101665
-0.01027186 0.00409207 -0.00027423
10.51176685 -4.29064346 5.08659040
-0.00026419 -0.00076808 -0.00010355
-0.00082414 0.00923529 0.02479315
-21.14145052 0.71838631 25.18544943
0.00087363 -0.00037930 0.00025314
0.03343562 0.01258402 -0.00390976
-19.18734537 2.90007178 25.93419399
-0.00061015 0.00006548 0.00071504
-0.00860604 0.00116626 0.00475715
25.31880898 -2.69637424 -7.21979480
-0.00069188 0.00089381 -0.00038295
-0.00522642 0.00024163 -0.01349524
23.54422069 -0.91992849 -9.09352452
-0.00055618 0.00022797 0.00041863
0.01881169 -0.00802073 0.00642857
11.76964455 -10.00715432 -9.56261311
0.00051078 -0.00062752 -0.00023226
0.00126110 -0.00422567 0.02735655
12.99369919 -9.42341965 -12.04594609
0.00038164 0.00007661 -0.00009686
-0.01302682 -0.00330744 -0.00254544
-7.39268777 -10.65629699 17.46717621
-0.00007984 -0.00045164 -0.00087440
0.02539248 0.00106287 0.02561118
-10.29356363 -10.88024055 17.66743735
-0.00001153 0.00137853 -0.00000462
0.01433633 0.00269092 -0.00515810
8.12443416 1.78439902 -29.32384049
0.00078906 -0.00105195 -0.00061394
-0.00959456 -0.00681886 0.00089319
5.33893600 0.67833953 -28.44586191
-0.00014589 0.00012095 0.00058755
0.02411207 0.01514557 -0.00233047
14.15276312 19.32199234 13.60756414
-0.00109482 0.00005236 0.00033756
0.02258611 0.00616263 0.00759696
13.04949514 17.81675605 11.46816280
0.00008076 -0.00013435 -0.00019612
0.01639232 -0.02379318 -0.03825306
27.82764049 7.70808217 -11.63421988
-0.00019691 0.00017866 0.00029101
-0.01842737 -0.00023633 0.00824432
26.02194819 7.62360378 -9.26653852
-0.00023581 -0.00006457 -0.00010289
0.01021709 0.00265804 0.02033574
-7.87920330 4.70900926 6.11473222
0.00012521 0.00006840 0.00008632
-0.00098580 -0.00560823 0.00355156
-10.40897345 9.16543489 2.96501114
0.00022280 -0.00008811 0.00017810
0.01148453 -0.00327423 0.01211450
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.07542334
0.28693937
382.33232236
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0591569767
ExchangeOperator: pair fraction: ispin=0: 0.1465224446
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.4092755419 (a.u.)
total exchange computation time: 2.7681040764 s
-154.2622489206
-931.36261714
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0591569767
ExchangeOperator: pair fraction: ispin=0: 0.1465224446
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.4087231533 (a.u.)
total exchange computation time: 2.7706811428 s
-154.2681863986
Anderson extrapolation: theta=1.3766799465 (1.3766799465)
-931.36284434
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0591569767
ExchangeOperator: pair fraction: ispin=0: 0.1465224446
ExchangeOperator: bisection time: 1.428 s
total exchange = -52.4079222178 (a.u.)
total exchange computation time: 2.7704749107 s
-154.2765627744
Anderson extrapolation: theta=0.0659904918 (0.0659904918)
-931.36298762
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0591569767
ExchangeOperator: pair fraction: ispin=0: 0.1465224446
ExchangeOperator: bisection time: 1.422 s
total exchange = -52.4078426207 (a.u.)
total exchange computation time: 2.7711179256 s
-154.2772959406
Anderson extrapolation: theta=2.3104686144 (2.0000000000)
-931.36299601
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0591569767
ExchangeOperator: pair fraction: ispin=0: 0.1465224446
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.4076891691 (a.u.)
total exchange computation time: 2.7711682320 s
-154.2787033189
Anderson extrapolation: theta=0.4200771049 (0.4200771049)
-931.36300758
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0591569767
ExchangeOperator: pair fraction: ispin=0: 0.1465224446
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.4076449022 (a.u.)
total exchange computation time: 2.7702209949 s
-154.2791334841
Anderson extrapolation: theta=1.0771485052 (1.0771485052)
-931.36301112
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0591569767
ExchangeOperator: pair fraction: ispin=0: 0.1465224446
ExchangeOperator: bisection time: 1.421 s
total exchange = -52.4076273359 (a.u.)
total exchange computation time: 2.7739181519 s
-154.2793595940
Anderson extrapolation: theta=0.5288528722 (0.5288528722)
-931.36301386
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0591569767
ExchangeOperator: pair fraction: ispin=0: 0.1465224446
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.4076459734 (a.u.)
total exchange computation time: 2.7707231045 s
-154.2792578077
Anderson extrapolation: theta=0.7784247653 (0.7784247653)
-931.36301486
20.094217 -16.829685 -167.639840
562.305023 1074.540193 -405.511967
582.399240 1057.710507 -573.151807
1336.578986
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0591569767
ExchangeOperator: pair fraction: ispin=0: 0.1465224446
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.4076800596 (a.u.)
total exchange computation time: 2.8245079517 s
679.43680155
-1085.11702399
89.72455619
-388.11257492
-174.88709407
78.97572494
551.60419304
0.00000000
-931.36301530
4.57160009 -30.90277176 -3.50530193
-0.00002616 -0.00016922 0.00002964
0.00429393 -0.00124713 -0.01546998
-11.81504376 2.09060229 -9.36293669
0.00042047 0.00009473 0.00022304
-0.00136316 0.00000231 0.00511807
-36.20784406 1.36684024 3.10798100
-0.00002816 0.00010543 0.00002226
-0.00967178 -0.06037406 0.03723548
-7.47662833 -3.51398366 2.60801043
0.00011364 0.00020639 0.00015667
0.01882124 -0.00435704 0.00531169
2.25664776 0.10544985 8.99263366
-0.00008140 0.00002339 0.00024251
0.00252070 -0.00793007 -0.01269886
-31.03082702 1.45075626 2.65663772
-0.00004573 0.00007628 -0.00019749
0.03415020 0.00393779 -0.00271296
16.92787023 13.21125159 -18.11068751
-0.00000777 -0.00014460 -0.00034194
-0.03863838 -0.03443258 -0.00469621
-3.42328094 5.16162307 5.53879606
-0.00001819 -0.00019897 -0.00015621
-0.01435873 -0.01256558 0.01922426
5.78823608 17.09780279 -6.96480491
-0.00022298 -0.00026094 -0.00018808
-0.03881191 -0.02436755 -0.03044476
7.26463394 5.72830894 -20.97359048
-0.00003710 0.00016140 0.00026680
-0.02271699 -0.00387906 0.03133284
18.61880710 19.64948817 -5.12717004
0.00000869 0.00003788 0.00005445
-0.00502931 -0.01620942 -0.00015054
1.95626779 13.94943815 -21.20032173
-0.00004620 0.00014415 -0.00012544
0.00566588 0.01688997 0.00337221
10.39080278 -5.30204434 0.41274600
0.00024539 0.00020385 0.00002062
0.01405051 -0.03113452 0.00218182
-18.13564270 -4.12084284 5.34117450
0.00053182 -0.00037857 -0.00003885
0.01874845 0.01922132 0.00522551
-14.26873069 -1.35921147 20.63365171
-0.00009769 0.00013813 0.00007686
0.00591922 0.00023297 -0.04593184
1.60073153 3.74583251 -3.99562560
0.00000572 0.00011427 -0.00016029
-0.00911412 -0.00402063 0.03674455
21.24603948 -10.64202990 -4.48245438
0.00016541 0.00012948 -0.00004423
0.00178858 0.01346325 0.06044389
3.05047848 -10.39130003 7.85349985
-0.00009148 -0.00016902 -0.00022004
0.03476111 -0.01135695 -0.01822241
-1.87885184 -1.80304791 -19.57574004
-0.00003794 0.00006728 -0.00038014
-0.00435272 -0.01518867 -0.02596871
-0.39199536 3.58273851 -10.44021332
-0.00039710 0.00019193 -0.00037384
0.02962198 0.02610860 -0.00458808
-4.99260330 14.66151903 14.47624023
0.00003440 0.00007571 -0.00010512
-0.00984714 0.00386912 -0.00573814
-5.39508765 2.73594396 -7.27645010
0.00017085 0.00022322 0.00024343
-0.01555407 -0.01624936 0.01484416
-9.23287347 0.82294782 -4.07293373
-0.00013230 0.00023924 0.00028997
0.02395799 -0.01494190 -0.04046274
2.89532281 27.48829383 5.83019804
-0.00009428 0.00006627 -0.00018060
-0.00092432 -0.01305453 -0.00353015
9.96454978 -10.80375541 -1.51810109
-0.00030058 -0.00017482 0.00005410
0.01811235 0.01416872 -0.00945007
-6.78165622 1.01910359 9.26631607
0.00010601 0.00014676 0.00009317
0.01398379 -0.01914988 -0.01201038
20.30941641 10.81405874 6.96021594
-0.00021370 -0.00001813 -0.00006145
0.03218156 0.00350045 -0.00800230
-3.09489223 1.09295530 -23.84901860
-0.00015495 0.00003382 -0.00021825
0.05048020 0.00941847 -0.02353084
-13.70016392 8.79929988 8.61156005
0.00039485 -0.00006267 0.00025599
-0.00197755 -0.01694403 0.03489537
-13.54204707 6.05991134 -3.36605590
-0.00022200 -0.00002122 -0.00025792
0.01085997 -0.02556656 0.00208945
-2.35524412 -15.40636844 20.54438461
-0.00018487 -0.00016172 -0.00010749
-0.02359803 -0.00103125 0.00285961
-6.00392687 7.69423032 -7.99302871
0.00000377 0.00031614 0.00033918
0.00249211 0.01687803 -0.01510195
-19.70290241 30.39364667 0.96366855
0.00016724 -0.00020767 -0.00019877
-0.00072922 -0.01492592 0.00245936
9.84958654 3.81493537 7.96256715
0.00008811 0.00002227 0.00017408
0.00081895 -0.01980749 -0.02202454
7.21511426 16.05862652 -11.63873670
0.00011487 0.00026512 0.00017969
-0.00284791 -0.01488161 -0.00084053
13.67772539 5.04187294 -1.24418970
-0.00034086 -0.00031310 -0.00013019
0.04002796 -0.04171873 0.02569214
-6.07921755 11.49488207 -2.03970778
-0.00009190 0.00020125 0.00046949
0.02383387 0.01432934 0.00414481
7.84396371 12.60265649 5.26264750
-0.00010980 -0.00027376 -0.00002789
-0.02348060 0.05249989 -0.01023499
21.67625830 -11.97652315 -9.59215308
-0.00055341 0.00010046 0.00029507
0.04710710 0.00481990 0.01129510
19.80432463 -5.92655656 -1.12159317
-0.00023717 0.00010559 0.00043114
0.00636063 0.00714785 0.00701977
14.78763663 8.02522730 8.79733018
0.00036159 0.00003290 0.00016013
0.01861318 -0.02166608 0.02478914
3.81547676 -13.78427113 16.41760898
0.00014801 0.00009051 -0.00015125
0.01213737 0.02105843 -0.02799512
-2.58129487 -2.39465531 -13.67955588
-0.00004050 0.00028113 0.00013477
0.01100765 0.02301814 -0.00016900
15.50892484 -7.37221479 -13.16379562
0.00007749 -0.00012618 -0.00001699
-0.00788652 0.00134606 -0.00180136
9.73363805 -3.71677843 6.70063907
0.00017534 -0.00017827 -0.00011230
0.01794184 -0.00763296 -0.03090826
-19.39561365 1.40922566 24.87729451
-0.00006429 -0.00005371 -0.00013572
-0.02630524 -0.01533215 -0.00144117
24.24353130 -1.19376383 -7.41167191
-0.00023877 0.00014299 -0.00001085
-0.00849377 0.01426147 0.01147196
11.62661989 -10.48312106 -11.28930110
-0.00007305 0.00007638 -0.00023287
0.01618316 0.02545653 -0.01685278
-8.86636429 -10.75697539 16.48112602
0.00006405 0.00016566 -0.00008652
-0.06524221 -0.00296904 -0.04228684
6.89614474 1.59563197 -27.89596516
0.00023565 0.00000082 -0.00002001
-0.00815531 -0.01067805 -0.00839600
12.64622747 18.69359290 12.91305604
0.00008127 -0.00024763 -0.00025932
-0.04345936 0.01141043 0.02931088
26.02710931 7.54895878 -11.06935861
0.00000215 0.00004572 -0.00000819
0.02239966 -0.00421928 -0.03156732
5.19354928 -29.77074976 -4.84763570
-0.00020904 -0.00065036 -0.00034795
-0.00236526 -0.00108527 0.00919161
4.16040843 -29.84741615 -2.08298347
-0.00062696 0.00028661 0.00022159
-0.00353648 -0.00276574 0.00587892
-10.07518338 2.14579358 -8.85791955
-0.00076170 0.00066472 -0.00002584
0.00153316 -0.00030633 0.00223127
-11.83527904 2.60547632 -11.12256461
0.00035201 -0.00031313 0.00015703
-0.00591852 0.00414630 -0.00561298
-36.87405303 2.97361276 2.62549485
0.00032926 0.00122006 0.00113905
-0.01373050 0.02699434 -0.00789252
-37.58386350 0.35302642 3.97491931
0.00024085 0.00006677 -0.00005104
0.02434006 0.02506241 -0.02495582
-8.58034446 -4.19337562 1.33035102
-0.00024446 0.00008246 -0.00040697
-0.01576202 -0.00436870 -0.00546528
-6.26320331 -4.87269854 2.86216400
-0.00021041 -0.00025604 -0.00028393
-0.00452586 0.00267539 0.00397865
2.86608198 -0.09511883 7.23320119
0.00059408 -0.00033829 -0.00056215
-0.01199552 0.00792560 0.02121011
1.62669132 1.80313308 9.34584078
0.00032359 -0.00060352 -0.00005660
0.00296147 -0.00719174 -0.00790640
-30.09288402 -0.14464340 2.53717643
0.00071264 0.00111622 0.00065558
-0.00051905 0.00464298 0.00263316
-32.71680880 0.89249925 2.79700297
-0.00101355 -0.00005425 -0.00011651
-0.03310097 -0.00241976 0.00405426
15.55148320 11.84062063 -18.38544219
0.00001852 -0.00099380 -0.00032978
0.03433572 0.03758036 0.00698397
18.22313630 12.29251570 -17.12285009
-0.00043414 0.00092949 -0.00140978
0.00196951 0.00032245 -0.00147219
-3.02678067 6.77699024 6.26090519
0.00025367 -0.00003823 -0.00012945
0.00481745 0.00973283 0.00096005
-3.03144516 5.22958969 3.81031808
0.00009996 -0.00032353 0.00071012
0.01029048 0.00523964 -0.02451021
5.83456347 16.55765544 -8.80654824
0.00045666 0.00029476 0.00071358
0.00405214 -0.00060793 0.02146663
7.15245924 18.19590481 -6.97431624
0.00019720 0.00047263 0.00058149
0.03719209 0.02647400 0.00856126
7.47649286 5.03359126 -22.65619049
0.00055926 -0.00086526 -0.00059876
0.01662801 0.02247468 -0.00739469
8.56383140 6.90202914 -20.35309589
0.00029763 0.00040698 -0.00042009
0.00112320 -0.00746003 -0.01760585
19.21207376 21.02828179 -4.01086891
-0.00009035 -0.00065450 -0.00096164
0.00358255 0.00280694 -0.01592492
19.42516082 19.53155759 -6.76430099
-0.00016830 0.00012095 -0.00059030
0.00625604 0.01153674 0.01363249
1.53350681 12.33662160 -20.51684270
-0.00029648 -0.00019805 -0.00013041
0.00173652 -0.01303571 -0.00043078
0.40585625 14.62835388 -21.89495741
0.00109662 0.00111856 -0.00141902
-0.00576602 0.00216993 0.00070040
10.36614214 -6.88445402 -0.55490891
-0.00108681 -0.00054222 0.00118783
0.00097347 0.00525066 0.00767257
9.75024963 -4.09681723 -0.76623275
-0.00018645 -0.00099776 0.00083292
-0.01651500 0.02233681 -0.01011022
-18.21005055 -5.10610447 6.85004595
0.00019294 -0.00079647 0.00026671
-0.00660524 -0.01169279 0.00566105
-18.68081145 -5.11738396 3.94549242
-0.00002628 0.00036764 -0.00037635
-0.00936961 -0.01191304 -0.00846246
-14.32579961 -0.16909752 19.09786962
0.00002300 -0.00028585 0.00060975
-0.00450496 -0.01495894 0.03270274
-14.16691999 -0.48056828 22.20873007
-0.00052215 0.00022989 0.00016082
-0.00271832 0.01603827 0.00753139
1.21567870 2.96916283 -2.33081899
-0.00032639 -0.00117718 -0.00076655
0.00504680 0.01578601 -0.01493366
2.05068777 2.24109628 -4.85651712
-0.00013473 0.00048831 -0.00052678
0.00412279 -0.01389668 -0.02151404
21.80099101 -10.58488100 -6.12665665
-0.00109186 -0.00006192 0.00004531
0.00317710 0.00115983 -0.05652245
22.67013921 -9.84155012 -3.61464476
-0.00099914 -0.00090394 -0.00009417
-0.00909667 -0.00530549 0.00235131
4.71785014 -10.39064093 6.90910961
0.00066560 -0.00021571 -0.00033894
-0.03049644 0.00080430 0.01822220
3.22394646 -11.84001202 9.01756143
0.00075732 0.00023008 -0.00007243
-0.00340456 0.01152062 -0.00364986
-2.10695546 -3.21981167 -20.80407075
-0.00013626 0.00028398 0.00018842
0.00666243 0.00920012 0.01544783
-3.42801205 -1.84503908 -18.63733266
-0.00022943 -0.00065235 0.00060151
-0.00147720 0.00101218 0.00850591
0.57042092 5.04445186 -9.82101892
0.00105307 0.00027170 -0.00079592
0.00354932 -0.01011744 -0.02103045
-1.46682746 3.49805324 -9.04860905
-0.00017076 -0.00070661 0.00141292
-0.03397804 -0.01434046 0.02588701
-3.74760734 15.39121926 15.57224997
0.00040061 0.00119346 0.00036622
-0.00253225 -0.00242095 0.00495011
-6.64251324 14.94525737 15.25753535
-0.00079355 0.00051530 -0.00095771
0.01296091 -0.00315671 -0.00331321
-6.80208382 1.95195090 -6.29608366
0.00006459 0.00004830 0.00019588
0.01328050 0.01039490 -0.00076538
-4.84457003 1.33845156 -8.28199855
0.00021173 -0.00008695 -0.00013662
0.00126019 -0.00117979 -0.00959175
-10.03978716 -0.69335415 -3.61938504
0.00046953 -0.00062623 -0.00093029
-0.01148988 -0.01699244 0.00638630
-9.55539021 2.05491379 -2.85689485
-0.00016507 0.00017166 -0.00025296
-0.00584342 0.03377462 0.02808608
3.11435564 29.02947402 4.92917384
0.00055988 -0.00044708 -0.00054968
-0.00033765 0.01432989 -0.00651645
3.29750624 27.75816664 7.56207272
-0.00020580 -0.00077735 0.00142073
0.00172187 0.00663587 0.01296548
8.28124340 -10.69940375 -0.97454903
0.00042388 -0.00096216 0.00012881
-0.03605313 0.00336894 -0.00393927
10.79246558 -11.05486851 0.11616109
-0.00032036 -0.00027620 0.00054342
0.00763241 -0.00988521 -0.00262283
-5.23626523 -0.01618726 8.74907915
-0.00095762 -0.00035048 -0.00024403
-0.03278390 0.01213362 0.01064323
-8.28055706 -0.06675639 9.13975066
-0.00007749 -0.00034041 -0.00048605
0.01848897 0.00461336 0.00039656
20.35133631 11.04808603 8.80197727
0.00012344 -0.00032055 -0.00096406
0.00703489 -0.00518958 -0.01376556
22.15622279 11.07025067 6.37829356
-0.00103057 -0.00087270 0.00088326
-0.03688980 -0.00280449 0.02608352
-2.87131934 0.05293622 -22.42839046
0.00016701 -0.00169237 -0.00003659
0.00662402 -0.01627987 0.03520800
-4.79979661 1.20186616 -24.12440847
0.00101507 0.00057845 0.00020196
-0.05795012 0.00830756 -0.00908606
-12.55778569 9.78820504 9.76375708
0.00009922 0.00049906 -0.00072526
-0.00882154 -0.00994749 -0.01545031
-13.50111131 9.56770896 7.01924938
0.00026835 -0.00053808 0.00015246
-0.00000439 0.01276646 -0.01764425
-14.35719267 4.89988028 -4.51587628
-0.00108545 -0.00017313 0.00068118
-0.00315327 -0.00011277 -0.00605892
-13.88007533 7.73214434 -3.86766122
0.00099691 -0.00060323 -0.00071902
-0.00854318 0.01930023 -0.00791544
-4.19360233 -15.59191603 20.24955139
-0.00057706 -0.00006209 0.00036143
0.02345868 -0.00189909 0.00354734
-1.54708051 -16.70474561 19.54666725
-0.00042125 0.00011923 0.00014693
-0.00705631 0.00196088 -0.00353967
-5.49896065 6.02608534 -7.50574279
0.00117794 0.00026224 -0.00035181
-0.00893039 -0.01113952 0.00489237
-7.44719925 8.30294401 -7.02728158
-0.00030595 0.00039267 0.00029011
0.00598867 -0.00062712 0.00099976
-21.04133579 29.19204253 0.57452687
0.00106499 -0.00041795 0.00116856
0.00194764 0.01212365 0.00060440
-18.15379170 29.39459592 0.78987438
0.00004034 0.00011029 -0.00133374
-0.00116146 0.00653802 0.00272761
9.33783503 2.74447477 6.50847980
-0.00051204 -0.00058885 -0.00077306
0.00176723 0.01367011 0.01577220
9.06737391 5.46777643 7.76511858
-0.00043044 0.00072477 -0.00067701
0.00151393 0.00442022 0.00532726
7.94278468 17.55403330 -12.31345978
-0.00089742 0.00042162 0.00000102
0.00749663 0.01667551 -0.00425317
8.49549902 14.83135859 -12.12365199
0.00029763 -0.00002491 -0.00068919
-0.00729114 -0.00427649 0.00494903
12.14926247 5.86346742 -1.09936436
0.00041450 -0.00030400 0.00030190
-0.04249901 0.03059424 -0.00640248
13.65095650 4.02913905 0.36216876
-0.00040674 -0.00060144 0.00002048
0.00773098 0.00801940 -0.01987260
-4.23641878 11.10477685 -2.05404177
-0.00030012 -0.00079449 0.00008471
-0.02710459 -0.00859553 0.01049699
-7.21300816 10.81326540 -0.75918524
0.00018628 0.00053628 -0.00027792
0.02516877 -0.00584620 -0.00046069
7.36158942 14.35698070 4.68697979
0.00022147 -0.00004228 0.00061829
0.00849674 -0.03492655 0.01310187
9.08597935 12.09339507 4.05008247
-0.00067551 0.00037057 0.00137792
0.01211534 -0.00879943 -0.00740923
20.51557988 -13.08665799 -8.81852692
0.00026824 0.00032360 -0.00014985
-0.02632352 -0.01179001 0.00941555
23.31850922 -12.44880350 -8.73390516
-0.00015005 -0.00026889 -0.00083366
-0.03042508 0.00981931 -0.02239834
20.00093751 -4.87493366 -2.62865066
-0.00034607 -0.00034337 0.00049788
-0.01147577 -0.00619039 -0.00049739
18.25095076 -6.88637599 -1.25614761
0.00039604 0.00055614 0.00025089
0.00207078 0.00091712 -0.00433757
13.94930673 9.60857157 8.77463228
0.00028499 -0.00009080 0.00091435
-0.00692039 0.00497976 0.00470078
15.12716820 7.62706366 10.63229088
0.00037506 -0.00019119 0.00040958
-0.00435505 0.01176142 -0.02282941
3.00575068 -15.14398841 17.26341388
-0.00044424 0.00001911 0.00083299
-0.01231401 -0.00857822 0.01811833
3.48747214 -12.13102250 17.17233022
-0.00118452 -0.00028440 0.00031901
0.00169772 -0.01544325 0.00712012
-2.65285578 -3.79011626 -12.55980401
0.00030675 0.00005005 0.00047039
-0.00451949 -0.01472932 0.00767149
-0.97304287 -1.52668471 -13.25685762
0.00030879 -0.00119619 -0.00087072
-0.00707976 -0.00557932 -0.01049803
16.16005852 -7.61957660 -14.86396224
-0.00063055 0.00067981 0.00020540
-0.00603145 -0.00099682 -0.01066494
16.66282701 -8.31570485 -12.15692581
-0.00014908 0.00016811 -0.00082823
0.01024899 -0.00175117 0.01586911
8.00113855 -3.76283414 6.18719834
0.00135593 0.00063098 -0.00101955
-0.01817798 0.00426466 -0.00114377
10.50777871 -4.30188161 5.08579686
-0.00026451 -0.00073018 -0.00000254
0.00067052 0.00931406 0.02465276
-21.12732154 0.71308240 25.18912666
0.00100156 -0.00033125 0.00023759
0.02918627 0.01093808 -0.00370091
-19.19676138 2.90108975 25.94506541
-0.00064499 0.00006497 0.00073016
-0.00844593 -0.00141576 0.00264498
25.30827066 -2.68295969 -7.22595257
-0.00070641 0.00088449 -0.00043688
-0.00188610 -0.00480349 -0.01290200
23.53645439 -0.91675471 -9.08704807
-0.00048082 0.00019592 0.00044104
0.01808020 -0.00766773 0.00454138
11.77734487 -10.01669657 -9.56525876
0.00051580 -0.00064458 -0.00011886
0.00119765 -0.00412578 0.02815494
12.99902465 -9.42237184 -12.04747699
0.00032592 0.00006161 -0.00010630
-0.01425202 -0.00403691 -0.00207607
-7.39310724 -10.66303900 17.45484500
0.00003170 -0.00044643 -0.00076441
0.02920407 0.00148475 0.02823011
-10.29329726 -10.85948015 17.66720992
0.00004763 0.00138876 -0.00002551
0.01462315 0.00231944 -0.00506386
8.13597602 1.76841081 -29.33302215
0.00074475 -0.00107925 -0.00060452
-0.01209405 -0.00654372 0.00371666
5.33748654 0.68061789 -28.43712003
-0.00004634 0.00018289 0.00057766
0.02461744 0.01517215 -0.00251136
14.13703299 19.32296653 13.61286030
-0.00099239 0.00008149 0.00037233
0.02755103 0.00809847 0.00942343
13.05120891 17.81401171 11.46404876
0.00014894 -0.00023117 -0.00035205
0.01698107 -0.02360343 -0.03807648
27.82412218 7.71075486 -11.62960214
-0.00026878 0.00017770 0.00032364
-0.01675317 -0.00023237 0.00772916
26.01872415 7.62271673 -9.26745866
-0.00019401 -0.00005370 -0.00001827
0.01024383 0.00266262 0.02108529
-7.87732775 4.71002018 6.11603650
0.00012484 0.00006640 0.00008759
-0.00107119 -0.00554209 0.00356496
-10.40561140 9.16410760 2.96770371
0.00022546 -0.00008885 0.00018090
0.01140022 -0.00316641 0.01205688
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.07472403
0.28829127
384.13366171
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0593023256
ExchangeOperator: pair fraction: ispin=0: 0.1473012439
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.4170859646 (a.u.)
total exchange computation time: 2.8229191303 s
-154.2830728104
-931.36313820
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0593023256
ExchangeOperator: pair fraction: ispin=0: 0.1473012439
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.4163392185 (a.u.)
total exchange computation time: 2.8238689899 s
-154.2898733486
Anderson extrapolation: theta=1.3877255081 (1.3877255081)
-931.36336932
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0593023256
ExchangeOperator: pair fraction: ispin=0: 0.1473012439
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.4151756106 (a.u.)
total exchange computation time: 2.8255620003 s
-154.2997620875
Anderson extrapolation: theta=0.0708559187 (0.0708559187)
-931.36351736
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0593023256
ExchangeOperator: pair fraction: ispin=0: 0.1473012439
ExchangeOperator: bisection time: 1.422 s
total exchange = -52.4149951012 (a.u.)
total exchange computation time: 2.8241910934 s
-154.3008453476
Anderson extrapolation: theta=2.3880034380 (2.0000000000)
-931.36352678
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0593023256
ExchangeOperator: pair fraction: ispin=0: 0.1473012439
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.4146024121 (a.u.)
total exchange computation time: 2.8237168789 s
-154.3030585885
Anderson extrapolation: theta=0.4500021478 (0.4500021478)
-931.36353995
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0593023256
ExchangeOperator: pair fraction: ispin=0: 0.1473012439
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.4144263357 (a.u.)
total exchange computation time: 2.8251719475 s
-154.3039447601
Anderson extrapolation: theta=0.9132282939 (0.9132282939)
-931.36354410
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0593023256
ExchangeOperator: pair fraction: ispin=0: 0.1473012439
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.4142899377 (a.u.)
total exchange computation time: 2.8229501247 s
-154.3045343857
Anderson extrapolation: theta=0.5648973807 (0.5648973807)
-931.36354698
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0593023256
ExchangeOperator: pair fraction: ispin=0: 0.1473012439
ExchangeOperator: bisection time: 1.421 s
total exchange = -52.4142420501 (a.u.)
total exchange computation time: 2.8228251934 s
-154.3046445083
Anderson extrapolation: theta=0.6920127502 (0.6920127502)
-931.36354824
-24.297477 27.531440 -167.616800
562.266358 1074.518816 -405.544178
537.968881 1102.050257 -573.160978
1353.676029
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0593023256
ExchangeOperator: pair fraction: ispin=0: 0.1473012439
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.4142334031 (a.u.)
total exchange computation time: 2.8690309525 s
679.53234740
-1085.32391281
89.71732771
-387.97202033
-174.90305746
79.09022331
551.60419304
0.00000000
-931.36354889
4.57122432 -30.90531494 -3.50491695
-0.00002427 -0.00016943 0.00002268
0.00304076 0.00045318 -0.01160684
-11.80874202 2.09202330 -9.35957132
0.00041738 0.00009462 0.00022496
-0.01064039 -0.00044049 0.00233556
-36.20830369 1.36818885 3.10845855
-0.00003321 0.00007562 0.00004090
-0.00998943 -0.05555852 0.03524245
-7.47485108 -3.51090456 2.61038094
0.00012261 0.00020347 0.00015847
0.01605352 -0.00700580 0.00168840
2.25543648 0.10577005 8.99622231
-0.00007899 0.00001768 0.00023417
0.00687026 -0.01426083 -0.01972522
-31.03138127 1.45191567 2.65366491
-0.00003073 0.00007872 -0.00019858
0.02420337 0.00553976 -0.00151171
16.92760458 13.20894981 -18.11583468
-0.00002951 -0.00016166 -0.00034560
-0.04587435 -0.03192792 -0.00955419
-3.42360915 5.15859011 5.53652714
-0.00002586 -0.00020496 -0.00014433
-0.01548986 -0.01075123 0.02694825
5.78474167 17.09379463 -6.96774356
-0.00024107 -0.00027163 -0.00020239
-0.03152654 -0.01719247 -0.02519336
7.26398982 5.73071496 -20.96946767
-0.00004820 0.00015866 0.00028087
-0.02044822 -0.00676860 0.02338211
18.61891806 19.64999392 -5.12635387
0.00000594 0.00002810 0.00005236
-0.00566241 -0.02184292 -0.00799172
1.95559663 13.95166557 -21.20219036
-0.00004298 0.00015222 -0.00012337
0.00684216 0.01447710 0.00470682
10.39453783 -5.29910669 0.41306372
0.00025339 0.00018618 0.00002333
0.01704122 -0.03758270 0.00835173
-18.12759303 -4.12644721 5.34061194
0.00054141 -0.00036925 -0.00003534
0.01852677 0.01702835 0.00840306
-14.27017319 -1.35713860 20.63462741
-0.00009465 0.00013784 0.00005426
0.00589909 -0.00134900 -0.04195491
1.60078219 3.74753103 -3.99788823
0.00000095 0.00011216 -0.00014124
-0.00942457 -0.00419745 0.03733303
21.24852753 -10.64003583 -4.48288469
0.00016398 0.00013518 -0.00001331
-0.00736084 0.00873403 0.05981719
3.04924042 -10.39387920 7.85012895
-0.00007266 -0.00017472 -0.00022988
0.03842012 -0.01079764 -0.02005393
-1.87943776 -1.80209728 -19.58154225
-0.00004135 0.00006004 -0.00039214
-0.00889249 -0.01296941 -0.02070722
-0.39783753 3.58571816 -10.44583863
-0.00038330 0.00020582 -0.00037352
0.02403863 0.02789125 0.00584464
-4.99212523 14.66266965 14.47464123
0.00003010 0.00007854 -0.00010674
-0.00689039 0.00712888 -0.00053721
-5.39258497 2.73922953 -7.27274141
0.00016312 0.00021405 0.00025052
-0.01448557 -0.01937695 0.01274589
-9.23476557 0.82647873 -4.06874023
-0.00011985 0.00023055 0.00026839
0.02444499 -0.01881770 -0.04347220
2.89390509 27.48923756 5.82747539
-0.00009427 0.00005933 -0.00017952
0.00094172 -0.01396128 0.00774388
9.96011093 -10.80632300 -1.51732611
-0.00028946 -0.00016765 0.00004955
0.02512970 0.01370184 -0.00824131
-6.78001215 1.02123112 9.26766737
0.00011190 0.00013646 0.00008699
0.00894364 -0.02091796 -0.01204737
20.30633508 10.81380032 6.95926331
-0.00019825 -0.00001676 -0.00006652
0.02788520 0.00180356 -0.01170515
-3.09702177 1.09349889 -23.85238315
-0.00012554 0.00003678 -0.00022754
0.06387024 0.00210532 -0.01257439
-13.69424886 8.79829444 8.61553453
0.00039335 -0.00007166 0.00027344
-0.00383090 -0.01801180 0.03293637
-13.54533519 6.05949441 -3.36991664
-0.00021618 -0.00003567 -0.00025616
0.01179115 -0.03061213 0.00474037
-2.35810816 -15.40879828 20.54278334
-0.00019783 -0.00016157 -0.00010553
-0.02679626 0.00164817 0.00475366
-6.00386067 7.69903753 -7.98799929
0.00000496 0.00032471 0.00033151
0.00210906 0.01645910 -0.01470933
-19.70039658 30.39047399 0.96069645
0.00016777 -0.00021433 -0.00019722
0.00279099 -0.01096679 0.00359295
9.85091137 3.81519306 7.96509335
0.00008723 0.00001254 0.00016102
-0.00425572 -0.01804515 -0.02875214
7.21682628 16.06254592 -11.63604453
0.00011390 0.00025643 0.00017909
-0.00089985 -0.01891271 -0.00150543
13.67276686 5.03701556 -1.24604340
-0.00031918 -0.00033537 -0.00011684
0.04429445 -0.04487754 0.02622346
-6.08050408 11.49795613 -2.03264945
-0.00007876 0.00020915 0.00047043
0.02727080 0.01636248 -0.00047704
7.84222620 12.59875260 5.26218972
-0.00012391 -0.00024602 -0.00003097
-0.03142259 0.05536970 -0.00175185
21.66813881 -11.97499764 -9.58768354
-0.00052805 0.00010414 0.00029988
0.05153580 0.00949874 0.00741111
19.80079161 -5.92494516 -1.11509905
-0.00023275 0.00010977 0.00043510
0.01081104 0.00910464 0.00840202
14.79313231 8.02563721 8.79982782
0.00037126 0.00002161 0.00017326
0.01898137 -0.02221790 0.02626322
3.81774376 -13.78283228 16.41523230
0.00015316 0.00010007 -0.00016438
0.00787810 0.01613353 -0.02309222
-2.58185985 -2.39034964 -13.67753495
-0.00003562 0.00029155 0.00013509
0.00795044 0.01753140 0.00139517
15.51005670 -7.37410232 -13.16405748
0.00007204 -0.00012450 -0.00001792
-0.01329248 0.00517966 -0.00180008
9.73633741 -3.71948186 6.69883536
0.00018609 -0.00018221 -0.00012776
0.02384906 -0.00771719 -0.02919863
-19.39667946 1.40836089 24.87525319
-0.00007652 -0.00006035 -0.00013599
-0.02126390 -0.01050274 0.00038319
24.23991694 -1.19156402 -7.41179042
-0.00024391 0.00015150 -0.00000461
-0.01146630 0.01883416 0.01281424
11.62558651 -10.48187722 -11.29285921
-0.00006442 0.00008970 -0.00024161
0.01740589 0.02635968 -0.01712292
-8.86565516 -10.75450188 16.47966504
0.00002996 0.00016421 -0.00010869
-0.06735308 -0.00267091 -0.04391616
6.89964800 1.59560308 -27.89629764
0.00023204 -0.00000459 -0.00002495
-0.00588357 -0.01035815 -0.01082052
12.64727889 18.68992246 12.90927928
0.00005788 -0.00024248 -0.00024511
-0.04748931 0.00860454 0.02595427
26.02722793 7.54962824 -11.06960316
0.00001311 0.00004348 -0.00002415
0.02021012 -0.00445726 -0.03050102
5.19034127 -29.78053844 -4.85257322
-0.00021847 -0.00065347 -0.00031042
-0.00225141 -0.00043726 0.00917657
4.15089566 -29.84320169 -2.07947952
-0.00063885 0.00027038 0.00023807
-0.00228556 -0.00517871 0.00219089
-10.08656188 2.15575505 -8.85823880
-0.00073593 0.00066405 -0.00001034
0.01107936 -0.00002580 0.00535713
-11.83018026 2.60090638 -11.12038119
0.00032705 -0.00029601 0.00013365
-0.00629849 0.00423641 -0.00583056
-36.86953491 2.99274085 2.64233881
0.00027641 0.00132234 0.00110863
-0.01214065 0.02307342 -0.00699950
-37.57950494 0.35479590 3.97338904
0.00033750 0.00016780 -0.00015126
0.02297351 0.02439650 -0.02410433
-8.58449429 -4.19227256 1.32407894
-0.00030272 0.00006914 -0.00042188
-0.01275833 -0.00215048 -0.00182999
-6.26649822 -4.87645711 2.85802704
-0.00022911 -0.00024446 -0.00026752
-0.00462488 0.00299010 0.00405134
2.87462563 -0.09995037 7.22541884
0.00054087 -0.00030436 -0.00046359
-0.01405419 0.00868628 0.02703590
1.63163591 1.79385995 9.34474946
0.00033140 -0.00062205 -0.00008693
0.00086424 -0.00188298 -0.00694054
-30.08221026 -0.12775788 2.54709087
0.00071206 0.00112820 0.00066533
0.00023229 0.00122270 0.00213812
-32.73302642 0.89161130 2.79537954
-0.00113062 -0.00006005 -0.00010149
-0.02420261 -0.00041547 0.00330019
15.55281323 11.82686521 -18.39017484
0.00016129 -0.00083690 -0.00030072
0.03554749 0.03922226 0.00723718
18.21668460 12.30646789 -17.14404191
-0.00041478 0.00092262 -0.00140697
0.00750671 -0.00368173 0.00284965
-3.02282802 6.77671501 6.25899281
0.00027226 -0.00000213 -0.00012660
0.00428149 0.00793739 0.00043516
-3.02963047 5.22489735 3.82021880
0.00014537 -0.00030211 0.00059534
0.01194033 0.00524219 -0.03167406
5.84153760 16.56205826 -8.79518674
0.00047261 0.00028893 0.00079077
0.00375121 -0.00224824 0.01631929
7.15655689 18.20380556 -6.96533156
0.00033476 0.00056947 0.00061679
0.03014735 0.02092784 0.00871682
7.48539127 5.02130100 -22.66539847
0.00062442 -0.00076642 -0.00061275
0.01527019 0.02590769 0.00054543
8.56833027 6.90790517 -20.35993670
0.00030088 0.00037538 -0.00049175
0.00046928 -0.00800626 -0.01747329
19.21082824 21.01855033 -4.02578148
-0.00007134 -0.00063194 -0.00101782
0.00572269 0.00823792 -0.01157412
19.42282807 19.53372532 -6.77273775
-0.00014627 0.00016823 -0.00052793
0.00452679 0.01160931 0.01689697
1.52911288 12.33325134 -20.51881203
-0.00028976 -0.00024440 -0.00013553
0.00154924 -0.00965031 -0.00207700
0.42212887 14.64519872 -21.91622121
0.00107067 0.00112540 -0.00141515
-0.00693717 0.00117867 0.00119170
10.34986980 -6.89242643 -0.53685634
-0.00108227 -0.00051993 0.00121878
0.00124909 0.00566129 0.00747510
9.74694676 -4.11109912 -0.75404878
-0.00026031 -0.00089438 0.00077922
-0.01964051 0.02826487 -0.01617520
-18.20735880 -5.11840982 6.85422008
0.00016632 -0.00083982 0.00028196
-0.00642554 -0.00952822 0.00180291
-18.68149273 -5.11223441 3.93958789
-0.00006448 0.00031902 -0.00040961
-0.00933239 -0.01188738 -0.00782041
-14.32559262 -0.17384360 19.10801805
0.00000451 -0.00034273 0.00073794
-0.00454857 -0.01288389 0.03004530
-14.17483556 -0.47662842 22.21137316
-0.00053330 0.00029418 0.00018936
-0.00273692 0.01542844 0.00643991
1.21093744 2.95198880 -2.34277480
-0.00030640 -0.00111105 -0.00082647
0.00474270 0.01658638 -0.01440047
2.04879311 2.24799514 -4.86507807
-0.00011689 0.00043028 -0.00061705
0.00461005 -0.01451026 -0.02267510
21.78471039 -10.58577433 -6.12770897
-0.00107609 -0.00005643 -0.00019228
0.00454540 0.00153024 -0.05978322
22.65487332 -9.85527176 -3.61598523
-0.00102045 -0.00091688 -0.00007673
-0.00133087 -0.00102839 0.00618455
4.72689961 -10.39385193 6.90458394
0.00053450 -0.00021187 -0.00026183
-0.03367681 0.00107684 0.01952161
3.23520196 -11.83620775 9.01636321
0.00074243 0.00027571 -0.00008605
-0.00388519 0.01081479 -0.00301842
-2.10879520 -3.21526998 -20.80077115
-0.00010949 0.00031598 0.00024700
0.00643909 0.00646293 0.01322832
-3.43149871 -1.85479334 -18.62804935
-0.00022567 -0.00064754 0.00063018
0.00331435 0.00134411 0.00552895
0.58632572 5.04821731 -9.83360215
0.00105988 0.00022287 -0.00088253
-0.00021508 -0.01378522 -0.02136488
-1.47042998 3.48701460 -9.02662195
-0.00029038 -0.00076118 0.00149832
-0.02457825 -0.01237228 0.01591382
-3.74167584 15.40904696 15.57789495
0.00037808 0.00117728 0.00037726
-0.00849276 -0.00549660 0.00045195
-6.65401931 14.95289015 15.24306824
-0.00073443 0.00050193 -0.00097245
0.01597645 -0.00338914 -0.00390455
-6.80070801 1.95299387 -6.29316888
0.00011931 0.00009129 0.00019256
0.01350396 0.01065298 -0.00086149
-4.84135553 1.33711121 -8.28434181
0.00021416 -0.00008565 -0.00017148
-0.00007089 0.00181419 -0.00747075
-10.03309635 -0.70326835 -3.63314372
0.00042415 -0.00069058 -0.00090372
-0.01072198 -0.01450573 0.00662281
-9.55804526 2.05852364 -2.85982862
-0.00019130 0.00031221 -0.00013310
-0.00699968 0.03502721 0.03058543
3.12274342 29.02320696 4.92072894
0.00055971 -0.00038546 -0.00057546
0.00025668 0.01583206 -0.00610241
3.29447198 27.74670972 7.58378101
-0.00020373 -0.00075138 0.00144971
-0.00070561 0.00607607 0.00121780
8.28649676 -10.71373287 -0.97273763
0.00026410 -0.00094805 0.00011567
-0.04215935 0.00353725 -0.00249279
10.78789400 -11.05931448 0.12423204
-0.00029050 -0.00031599 0.00052760
0.00698803 -0.00959266 -0.00512200
-5.25163414 -0.02107260 8.74574482
-0.00108471 -0.00030181 -0.00020152
-0.02942965 0.01169085 0.01016462
-8.28115291 -0.07172121 9.13247206
0.00000151 -0.00031666 -0.00048328
0.02018503 0.00701376 0.00096177
20.35340342 11.04311873 8.78709451
0.00015052 -0.00034028 -0.00100632
0.00622331 -0.00446993 -0.00691949
22.13963380 11.05707421 6.39234179
-0.00117045 -0.00088232 0.00098335
-0.03158238 -0.00190420 0.02291181
-2.86861120 0.02705174 -22.42786041
0.00019060 -0.00174502 0.00008904
0.00492388 -0.00949151 0.02628827
-4.78634638 1.21079751 -24.12165747
0.00075500 0.00061416 0.00016161
-0.06935342 0.00917129 -0.01066691
-12.55656774 9.79538616 9.75240474
0.00006674 0.00046039 -0.00078311
-0.00707522 -0.00898159 -0.01286633
-13.49708616 9.56002889 7.02099564
0.00026795 -0.00048608 0.00007860
-0.00019388 0.01269102 -0.01851414
-14.37357107 4.89727980 -4.50584418
-0.00109876 -0.00017480 0.00065453
-0.00335972 -0.00070347 -0.00698632
-13.86538341 7.72368730 -3.87868912
0.00095997 -0.00051375 -0.00075462
-0.00954072 0.02450135 -0.00950894
-4.20153944 -15.59290553 20.25508161
-0.00047760 -0.00007006 0.00037592
0.02523086 -0.00200303 0.00354233
-1.55361547 -16.70289709 19.54876270
-0.00044731 0.00012211 0.00012884
-0.00569967 -0.00055004 -0.00531557
-5.48156522 6.02967766 -7.51087001
0.00113874 0.00022013 -0.00033140
-0.01025969 -0.00947685 0.00509580
-7.45160494 8.30881489 -7.02289928
-0.00027854 0.00038706 0.00029303
0.00742579 -0.00211923 0.00042719
-21.02530122 29.18614483 0.59207374
0.00106272 -0.00037617 0.00116817
-0.00306126 0.00832538 -0.00079131
-18.15322220 29.39645060 0.76995191
0.00003842 0.00013659 -0.00132207
0.00021969 0.00633505 0.00298565
9.33020861 2.73606095 6.49736726
-0.00050029 -0.00052564 -0.00069864
0.00398465 0.01726874 0.02065573
9.06096363 5.47878342 7.75512666
-0.00041808 0.00073099 -0.00065268
0.00453976 -0.00137644 0.00658251
7.92955308 17.56086856 -12.31357475
-0.00086528 0.00049115 -0.00001763
0.00823439 0.01735890 -0.00487669
8.49974000 14.83085387 -12.13383814
0.00026268 -0.00003572 -0.00066684
-0.00981700 -0.00101216 0.00598881
12.15417771 5.85984490 -1.09503201
0.00023163 -0.00017319 0.00027668
-0.04702060 0.03343886 -0.00594292
13.64509228 4.02036315 0.36186708
-0.00037463 -0.00056780 -0.00006261
0.00798805 0.00844974 -0.02080531
-4.24175110 11.09259614 -2.05244939
-0.00041051 -0.00082888 0.00012767
-0.02693555 -0.00824069 0.01053102
-7.20944270 10.82113041 -0.76336815
0.00028128 0.00050739 -0.00027121
0.02133173 -0.00829340 0.00374283
7.36517181 14.35527627 4.69665557
0.00025521 -0.00018357 0.00067110
0.00801923 -0.03423645 0.01275248
9.07621788 12.09868395 4.07052426
-0.00060892 0.00032771 0.00133090
0.02048506 -0.01218022 -0.01560788
20.51879690 -13.08216535 -8.82048617
0.00015109 0.00026579 -0.00010512
-0.03102590 -0.01650776 0.01248314
23.31532609 -12.45253596 -8.74709648
-0.00027358 -0.00022849 -0.00092370
-0.03004261 0.00995839 -0.02167255
19.99539483 -4.88027392 -2.62119774
-0.00039153 -0.00036568 0.00049261
-0.01077613 -0.00472805 -0.00207936
18.25695476 -6.87800585 -1.25251718
0.00039441 0.00055275 0.00023313
-0.00286776 -0.00257562 -0.00435691
13.95336958 9.60736221 8.78849160
0.00025592 -0.00006938 0.00093305
-0.00730916 0.00550363 0.00445265
15.13266072 7.62455623 10.63773499
0.00035725 -0.00014312 0.00031399
-0.00436363 0.01176763 -0.02396223
2.99870973 -15.14396465 17.27646396
-0.00048753 -0.00000689 0.00089863
-0.00887780 -0.00414837 0.01401063
3.46975637 -12.13576170 17.17733355
-0.00117591 -0.00034680 0.00034600
0.00251806 -0.01510327 0.00608949
-2.64839304 -3.78981689 -12.55251316
0.00028784 -0.00000484 0.00049680
-0.00473873 -0.01214013 0.00525821
-0.96862798 -1.54479848 -13.27024016
0.00028616 -0.00121340 -0.00091177
-0.00399866 -0.00284607 -0.00959522
16.15041547 -7.60940997 -14.86120803
-0.00065229 0.00067454 0.00015506
-0.00461175 -0.00158525 -0.01397580
16.66090488 -8.31323680 -12.16886304
-0.00009879 0.00015424 -0.00075661
0.01436660 -0.00503816 0.01919360
8.02092050 -3.75323875 6.17187010
0.00126633 0.00064897 -0.00102614
-0.02568085 0.00454323 -0.00208361
10.50383166 -4.31254893 5.08651419
-0.00025820 -0.00069249 0.00009662
0.00241632 0.00913447 0.02388780
-21.11140384 0.70844884 25.19257707
0.00111018 -0.00029086 0.00022326
0.02398467 0.00883041 -0.00331348
-19.20669500 2.90202097 25.95609892
-0.00067900 0.00005403 0.00073661
-0.00820309 -0.00394049 0.00050790
25.29761674 -2.66983952 -7.23290106
-0.00070676 0.00085422 -0.00048805
0.00171438 -0.01001418 -0.01214701
23.52979615 -0.91405086 -9.08029330
-0.00040893 0.00016560 0.00045495
0.01710940 -0.00717587 0.00226891
11.78511859 -10.02649168 -9.56617890
0.00052052 -0.00066172 -0.00000426
0.00111448 -0.00426541 0.02794330
13.00347666 -9.42157143 -12.04913512
0.00026573 0.00004408 -0.00011396
-0.01521167 -0.00454123 -0.00167159
-7.39173690 -10.66969002 17.44424391
0.00015584 -0.00043979 -0.00064574
0.03156700 0.00176964 0.02985735
-10.29213470 -10.83857760 17.66667215
0.00010722 0.00139742 -0.00004551
0.01454448 0.00191584 -0.00472706
8.14677667 1.75202156 -29.34197603
0.00069074 -0.00110517 -0.00058396
-0.01434334 -0.00614656 0.00634914
5.33754579 0.68382609 -28.42853207
0.00005399 0.00024429 0.00056682
0.02449340 0.01488619 -0.00279445
14.12299135 19.32443705 13.61873399
-0.00087185 0.00011770 0.00041369
0.03145631 0.00962746 0.01082148
13.05396339 17.80982080 11.45760116
0.00021854 -0.00032494 -0.00050348
0.01708916 -0.02229424 -0.03604899
27.81957713 7.71341331 -11.62451070
-0.00033270 0.00017686 0.00035378
-0.01453811 -0.00017900 0.00702489
26.01612792 7.62199286 -9.26708657
-0.00015222 -0.00004286 0.00006777
0.01021392 0.00264290 0.02102963
-7.87545796 4.71100134 6.11735993
0.00012444 0.00006443 0.00008886
-0.00116561 -0.00548741 0.00354262
-10.40220967 9.16276929 2.97043826
0.00022810 -0.00008958 0.00018369
0.01132150 -0.00308794 0.01197697
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.07507457
0.28847432
384.37757049
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0593023256
ExchangeOperator: pair fraction: ispin=0: 0.1473012439
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.4215801068 (a.u.)
total exchange computation time: 2.8674130440 s
-154.3032530418
-931.36236688
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0593023256
ExchangeOperator: pair fraction: ispin=0: 0.1473012439
ExchangeOperator: bisection time: 1.427 s
total exchange = -52.4208496696 (a.u.)
total exchange computation time: 2.8686702251 s
-154.3103668833
Anderson extrapolation: theta=1.3503584754 (1.3503584754)
-931.36259590
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0593023256
ExchangeOperator: pair fraction: ispin=0: 0.1473012439
ExchangeOperator: bisection time: 1.427 s
total exchange = -52.4197878132 (a.u.)
total exchange computation time: 2.8684980869 s
-154.3203084518
Anderson extrapolation: theta=0.0560188926 (0.0560188926)
-931.36273380
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0593023256
ExchangeOperator: pair fraction: ispin=0: 0.1473012439
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.4196708906 (a.u.)
total exchange computation time: 2.8671040535 s
-154.3211731627
Anderson extrapolation: theta=2.0737322583 (2.0000000000)
-931.36273984
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0593023256
ExchangeOperator: pair fraction: ispin=0: 0.1473012439
ExchangeOperator: bisection time: 1.422 s
total exchange = -52.4194254895 (a.u.)
total exchange computation time: 2.8686590195 s
-154.3229269357
Anderson extrapolation: theta=0.2796991690 (0.2796991690)
-931.36274700
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0593023256
ExchangeOperator: pair fraction: ispin=0: 0.1473012439
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.4193605342 (a.u.)
total exchange computation time: 2.8678150177 s
-154.3233493987
Anderson extrapolation: theta=1.6001684101 (1.6001684101)
-931.36274863
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0593023256
ExchangeOperator: pair fraction: ispin=0: 0.1473012439
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.4192790917 (a.u.)
total exchange computation time: 2.8696079254 s
-154.3238394071
Anderson extrapolation: theta=0.3377532373 (0.3377532373)
-931.36275042
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0593023256
ExchangeOperator: pair fraction: ispin=0: 0.1473012439
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.4192738208 (a.u.)
total exchange computation time: 2.8681671619 s
-154.3238267634
Anderson extrapolation: theta=1.1123696310 (1.1123696310)
-931.36275091
-24.318046 27.518489 -167.590263
562.225008 1074.500588 -405.576382
537.906961 1102.019077 -573.166646
1353.628438
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0593023256
ExchangeOperator: pair fraction: ispin=0: 0.1473012439
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.4192840414 (a.u.)
total exchange computation time: 2.8685848713 s
679.60997716
-1085.49095960
89.71186878
-387.85843647
-174.91591708
79.18194713
551.60419304
0.00000000
-931.36275124
4.57087201 -30.90785462 -3.50462151
-0.00002305 -0.00016880 0.00001773
0.00171551 0.00198330 -0.00763750
-11.80252236 2.09344091 -9.35618793
0.00040949 0.00009427 0.00022537
-0.02004620 -0.00091726 -0.00074963
-36.20884039 1.36910885 3.10920799
-0.00003830 0.00004873 0.00005833
-0.00978440 -0.04900855 0.03252932
-7.47294999 -3.50787951 2.61276447
0.00013010 0.00019922 0.00015838
0.01307456 -0.00952631 -0.00202643
2.25427820 0.10598023 8.99965879
-0.00007440 0.00000870 0.00022249
0.01095279 -0.02066795 -0.02569937
-31.03174880 1.45311782 2.65068043
-0.00002096 0.00008197 -0.00019904
0.01377954 0.00708898 -0.00030952
16.92698503 13.20640172 -18.12105556
-0.00005482 -0.00017720 -0.00035175
-0.05255665 -0.02849726 -0.01434777
-3.42405685 5.15547420 5.53446612
-0.00003403 -0.00020995 -0.00012879
-0.01626900 -0.00865225 0.03349957
5.78100404 17.08965383 -6.97087656
-0.00025520 -0.00027836 -0.00021375
-0.02343539 -0.00896803 -0.01897899
7.26318794 5.73306877 -20.96516447
-0.00005812 0.00015446 0.00029097
-0.01812468 -0.00955980 0.01590986
18.61898534 19.65033116 -5.12559935
0.00000279 0.00001538 0.00004629
-0.00658153 -0.02762678 -0.01561587
1.95497826 13.95400469 -21.20402268
-0.00003927 0.00015902 -0.00012062
0.00759975 0.01198898 0.00598529
10.39840436 -5.29645898 0.41344588
0.00026285 0.00016543 0.00002906
0.01977907 -0.04309225 0.01393711
-18.11940043 -4.13192021 5.34011419
0.00055079 -0.00036118 -0.00003032
0.01794879 0.01432288 0.01112040
-14.27157017 -1.35507614 20.63527944
-0.00009161 0.00013669 0.00003404
0.00590165 -0.00314507 -0.03665138
1.60076015 3.74919717 -3.99986285
-0.00000387 0.00010983 -0.00012215
-0.00933619 -0.00485366 0.03691151
21.25095880 -10.63797438 -4.48285354
0.00015790 0.00013839 0.00001643
-0.01626572 0.00374446 0.05583301
3.04829877 -10.39654167 7.84660335
-0.00005222 -0.00018008 -0.00024056
0.04105770 -0.01005167 -0.02146124
-1.88009229 -1.80124671 -19.58750422
-0.00004702 0.00005404 -0.00040134
-0.01316365 -0.01035407 -0.01507365
-0.40349425 3.58891298 -10.45141884
-0.00037243 0.00022041 -0.00036784
0.01821773 0.02884852 0.01624988
-4.99170032 14.66387526 14.47303810
0.00002731 0.00008299 -0.00010581
-0.00394974 0.01017566 0.00413006
-5.39019404 2.74236560 -7.26893439
0.00015605 0.00020336 0.00025647
-0.01301999 -0.02221861 0.01039537
-9.23646909 0.82986446 -4.06488211
-0.00010735 0.00022005 0.00024567
0.02418630 -0.02202499 -0.04484867
2.89249463 27.49007359 5.82481247
-0.00009335 0.00005201 -0.00017290
0.00263293 -0.01449000 0.01798403
9.95586594 -10.80878489 -1.51661470
-0.00027514 -0.00016070 0.00004570
0.03055947 0.01333510 -0.00671964
-6.77829908 1.02319727 9.26892572
0.00011518 0.00012545 0.00008085
0.00377959 -0.02189076 -0.01181569
20.30346888 10.81355581 6.95822039
-0.00018535 -0.00001631 -0.00007351
0.02226396 -0.00003975 -0.01547456
-3.09865857 1.09405872 -23.85584470
-0.00009006 0.00003595 -0.00023135
0.07412123 -0.00533113 -0.00224160
-13.68836335 8.79715005 8.61976311
0.00039087 -0.00008115 0.00028955
-0.00582068 -0.01889445 0.02974613
-13.54853235 6.05884133 -3.37374080
-0.00020991 -0.00005243 -0.00025319
0.01258909 -0.03457626 0.00680981
-2.36117893 -15.41121540 20.54121874
-0.00021223 -0.00016002 -0.00010258
-0.02921693 0.00437819 0.00673374
-6.00377819 7.70397171 -7.98308334
0.00000602 0.00033295 0.00032407
0.00202742 0.01556113 -0.01424577
-19.69786922 30.38721671 0.95775206
0.00017015 -0.00021886 -0.00019509
0.00643486 -0.00665130 0.00469013
9.85220336 3.81531154 7.96739774
0.00008385 0.00000383 0.00014474
-0.00888464 -0.01580788 -0.03455073
7.21853137 16.06631941 -11.63336398
0.00011395 0.00024591 0.00017809
0.00108743 -0.02198721 -0.00236668
13.66815004 5.03181195 -1.24769480
-0.00029592 -0.00035883 -0.00010332
0.04614471 -0.04637906 0.02632162
-6.08158021 11.50115642 -2.02559479
-0.00006393 0.00021813 0.00046895
0.03039118 0.01859598 -0.00529324
7.84024627 12.59527586 5.26171842
-0.00014202 -0.00021712 -0.00002968
-0.03897365 0.05703547 0.00676733
21.66041691 -11.97339886 -9.58315682
-0.00050086 0.00011010 0.00030273
0.05416570 0.01365804 0.00368992
19.79734200 -5.92326352 -1.10854011
-0.00022606 0.00011494 0.00043979
0.01522104 0.01100075 0.00984106
14.79877443 8.02587571 8.80252807
0.00038102 0.00001021 0.00018697
0.01896043 -0.02214310 0.02705702
3.82007154 -13.78126897 16.41267748
0.00015609 0.00010700 -0.00017494
0.00351376 0.01080305 -0.01794502
-2.58236351 -2.38590872 -13.67550327
-0.00003238 0.00029906 0.00013627
0.00464228 0.01165360 0.00321399
15.51108601 -7.37594989 -13.16433323
0.00006395 -0.00012095 -0.00001881
-0.01817120 0.00863278 -0.00164749
9.73922076 -3.72224481 6.69680639
0.00019959 -0.00018616 -0.00014218
0.02864255 -0.00763960 -0.02688212
-19.39790932 1.40741510 24.87321483
-0.00008594 -0.00006442 -0.00013538
-0.01535399 -0.00532036 0.00199226
24.23621413 -1.18921891 -7.41181007
-0.00025051 0.00016236 0.00000240
-0.01419863 0.02341332 0.01443313
11.62468742 -10.48043003 -11.29654941
-0.00005522 0.00010347 -0.00025020
0.01835358 0.02719541 -0.01627224
-8.86546564 -10.75204897 16.47786526
-0.00000469 0.00016295 -0.00013146
-0.06736945 -0.00224929 -0.04460562
6.90310588 1.59549429 -27.89671359
0.00022970 -0.00000976 -0.00003104
-0.00322515 -0.00973283 -0.01285856
12.64796394 18.68631841 12.90570276
0.00003289 -0.00023891 -0.00023292
-0.04970474 0.00529882 0.02143496
26.02750246 7.55026331 -11.07008303
0.00002280 0.00004113 -0.00003929
0.01747162 -0.00470253 -0.02837121
5.18699529 -29.79035392 -4.85694834
-0.00022729 -0.00065369 -0.00027334
-0.00206711 0.00032926 0.00897430
4.14124282 -29.83930461 -2.07584129
-0.00064562 0.00024439 0.00023970
-0.00102709 -0.00754602 -0.00139646
-10.09726137 2.16571494 -8.85822973
-0.00067103 0.00066474 0.00001795
0.02069222 0.00036704 0.00849229
-11.82546749 2.59659607 -11.11855511
0.00030062 -0.00027860 0.00010973
-0.00663751 0.00428697 -0.00587864
-36.86576083 3.01328302 2.65875379
0.00023081 0.00140685 0.00108197
-0.01017961 0.01829402 -0.00604909
-37.57373842 0.35806054 3.97038151
0.00042689 0.00026468 -0.00024702
0.02078240 0.02302428 -0.02276985
-8.58942602 -4.19130129 1.31769472
-0.00034857 0.00006489 -0.00042175
-0.00968484 0.00006694 0.00189267
-6.27007657 -4.88003243 2.85413836
-0.00024801 -0.00023186 -0.00025083
-0.00462548 0.00317970 0.00412048
2.88230796 -0.10424955 7.21929343
0.00047999 -0.00026763 -0.00034338
-0.01574380 0.00929403 0.03180717
1.63663347 1.78447143 9.34323278
0.00033046 -0.00061842 -0.00011314
-0.00132562 0.00366439 -0.00588851
-30.07152226 -0.11079743 2.55713635
0.00071469 0.00112607 0.00067314
0.00105692 -0.00226472 0.00168524
-32.75072732 0.89069788 2.79395835
-0.00121060 -0.00005753 -0.00008960
-0.01494897 0.00164482 0.00251919
15.55632183 11.81551358 -18.39446394
0.00030740 -0.00067485 -0.00027096
0.03597453 0.04010427 0.00733137
18.21069296 12.32019444 -17.16505909
-0.00037203 0.00089916 -0.00138615
0.01341700 -0.00780506 0.00733983
-3.01861298 6.77692623 6.25710710
0.00028852 0.00002619 -0.00012609
0.00367976 0.00592719 -0.00018521
-3.02708399 5.22052627 3.82817834
0.00019702 -0.00028081 0.00045380
0.01334006 0.00518577 -0.03761218
5.84874164 16.56632330 -8.78282508
0.00048754 0.00027606 0.00084537
0.00355805 -0.00405225 0.01040661
7.16250216 18.21298889 -6.95581266
0.00044168 0.00064202 0.00065236
0.02218814 0.01458397 0.00869441
7.49522553 5.01059852 -22.67457302
0.00068386 -0.00065418 -0.00059583
0.01382329 0.02903878 0.00773565
8.57285789 6.91329053 -20.36784838
0.00030163 0.00034190 -0.00056247
-0.00010135 -0.00838198 -0.01714705
19.20993345 21.00932374 -4.04140337
-0.00004340 -0.00058660 -0.00105556
0.00795694 0.01395394 -0.00690391
19.42077275 19.53660454 -6.78013896
-0.00013087 0.00021557 -0.00045326
0.00301157 0.01156555 0.01965596
1.52481390 12.32928966 -20.52090865
-0.00028364 -0.00027650 -0.00014756
0.00144858 -0.00606556 -0.00381143
0.43797633 14.66211579 -21.93741198
0.00104060 0.00112791 -0.00140902
-0.00778172 0.00004977 0.00180913
10.33367401 -6.90005188 -0.51834566
-0.00107661 -0.00049617 0.00124871
0.00152135 0.00596695 0.00717618
9.74244020 -4.12364876 -0.74285614
-0.00034649 -0.00076830 0.00070209
-0.02254547 0.03345583 -0.02158219
-18.20506085 -5.13129912 6.85850471
0.00014051 -0.00087411 0.00028130
-0.00621142 -0.00725446 -0.00212671
-18.68274595 -5.10781340 3.93320407
-0.00010207 0.00027127 -0.00043921
-0.00906802 -0.01148426 -0.00666971
-14.32566440 -0.17937929 19.12000784
-0.00001414 -0.00039010 0.00085371
-0.00458002 -0.01030864 0.02662667
-14.18291887 -0.47174302 22.21441091
-0.00054456 0.00035526 0.00021249
-0.00277535 0.01447301 0.00487967
1.20648683 2.93583129 -2.35561316
-0.00028786 -0.00104229 -0.00088324
0.00433230 0.01707432 -0.01338970
2.04718098 2.25400472 -4.87502869
-0.00009761 0.00037147 -0.00071088
0.00482985 -0.01427913 -0.02325385
21.76870835 -10.58657387 -6.13242518
-0.00105651 -0.00004950 -0.00043733
0.00503786 0.00186376 -0.06016997
22.63952586 -9.86905643 -3.61694668
-0.00100868 -0.00091174 -0.00004290
0.00708951 0.00354305 0.01037328
4.73388517 -10.39699693 6.90125468
0.00039224 -0.00020689 -0.00018048
-0.03595874 0.00135899 0.02029983
3.24621936 -11.83174069 9.01498000
0.00072569 0.00031808 -0.00009676
-0.00431127 0.00992453 -0.00222631
-2.11024031 -3.21033219 -20.79666084
-0.00008382 0.00033592 0.00029582
0.00612651 0.00329884 0.01066951
-3.43478226 -1.86446523 -18.61842719
-0.00020267 -0.00064127 0.00064668
0.00794514 0.00172371 0.00254725
0.60221734 5.05113793 -9.84749475
0.00105187 0.00016014 -0.00096978
-0.00370535 -0.01691927 -0.02134560
-1.47553882 3.47521771 -9.00365955
-0.00037170 -0.00080721 0.00154226
-0.01522715 -0.01015700 0.00559661
-3.73626483 15.42653780 15.58356764
0.00033223 0.00114887 0.00037059
-0.01395185 -0.00841444 -0.00371576
-6.66454624 14.96031522 15.22836183
-0.00066394 0.00048771 -0.00098921
0.01852938 -0.00357030 -0.00430052
-6.79850461 1.95468973 -6.29030689
0.00017426 0.00013489 0.00018927
0.01339688 0.01068633 -0.00074933
-4.83814536 1.33588203 -8.28714292
0.00021111 -0.00007220 -0.00019765
-0.00142232 0.00477131 -0.00533916
-10.02706265 -0.71407155 -3.64649651
0.00038262 -0.00074324 -0.00087648
-0.00960841 -0.01127312 0.00670923
-9.56112928 2.06428018 -2.86088793
-0.00022145 0.00045501 -0.00000595
-0.00775568 0.03487319 0.03165880
3.13114694 29.01791018 4.91191004
0.00056179 -0.00031893 -0.00059896
0.00075931 0.01673419 -0.00539905
3.29139448 27.73562519 7.60556394
-0.00021102 -0.00072721 0.00143222
-0.00286610 0.00575435 -0.00978002
8.28916633 -10.72784521 -0.97107900
0.00008259 -0.00093353 0.00010766
-0.04669108 0.00356780 -0.00142946
10.78375070 -11.06434835 0.13198908
-0.00026342 -0.00035452 0.00050175
0.00626760 -0.00926599 -0.00753320
-5.26880668 -0.02524145 8.74303345
-0.00119672 -0.00025581 -0.00016148
-0.02539647 0.01082585 0.00943589
-8.28051171 -0.07625619 9.12525240
0.00008627 -0.00028376 -0.00047816
0.02130247 0.00908954 0.00154028
20.35585192 11.03787748 8.77178768
0.00017410 -0.00035697 -0.00101944
0.00531895 -0.00369929 0.00049716
22.12110925 11.04378104 6.40779420
-0.00128604 -0.00088810 0.00106944
-0.02499732 -0.00092705 0.01922660
-2.86560130 0.00058557 -22.42571926
0.00020698 -0.00176935 0.00017824
0.00309131 -0.00241584 0.01737426
-4.77714656 1.22029094 -24.11956021
0.00045479 0.00065299 0.00011606
-0.07759978 0.00983886 -0.01163103
-12.55578340 9.80201683 9.74026387
0.00004193 0.00042621 -0.00082985
-0.00507200 -0.00775272 -0.01001331
-13.49307288 9.55312661 7.02160725
0.00026650 -0.00043526 0.00000302
-0.00051236 0.01218383 -0.01847861
-14.39015537 4.89463622 -4.49624024
-0.00111264 -0.00017854 0.00062443
-0.00343693 -0.00112653 -0.00774822
-13.85127621 7.71673185 -3.89029977
0.00091960 -0.00040544 -0.00079611
-0.01022335 0.02851800 -0.01080371
-4.20793026 -15.59401779 20.26082892
-0.00037242 -0.00007856 0.00039017
0.02625250 -0.00215796 0.00343539
-1.56049974 -16.70108229 19.55053237
-0.00046774 0.00011474 0.00010353
-0.00430171 -0.00305975 -0.00707362
-5.46479857 6.03268917 -7.51568492
0.00109391 0.00018548 -0.00031042
-0.01168341 -0.00748116 0.00517668
-7.45555553 8.31455590 -7.01849081
-0.00024561 0.00037561 0.00029375
0.00869598 -0.00348923 -0.00007041
-21.00945427 29.18075737 0.60957211
0.00103972 -0.00035047 0.00116224
-0.00819735 0.00425656 -0.00211327
-18.15263924 29.39869353 0.75021242
0.00004213 0.00016195 -0.00130946
0.00159684 0.00607831 0.00318506
9.32282639 2.72870547 6.48752063
-0.00047984 -0.00044854 -0.00060477
0.00602519 0.02047271 0.02529606
9.05483158 5.48970604 7.74553815
-0.00039359 0.00071413 -0.00062307
0.00744695 -0.00687480 0.00791058
7.91682614 17.56876768 -12.31398859
-0.00083076 0.00056199 -0.00003823
0.00866609 0.01731931 -0.00520991
8.50337935 14.83028712 -12.14365727
0.00021795 -0.00003359 -0.00064039
-0.01207686 0.00205077 0.00696114
12.15621125 5.85827172 -1.09106388
0.00003543 -0.00003355 0.00025311
-0.04902057 0.03491529 -0.00559640
13.63971762 4.01210509 0.36029031
-0.00034158 -0.00053300 -0.00014831
0.00818863 0.00858497 -0.02114188
-4.24873419 11.07991040 -2.05021161
-0.00051886 -0.00086199 0.00017060
-0.02610150 -0.00796552 0.01048376
-7.20456990 10.82848714 -0.76732168
0.00035980 0.00046827 -0.00024686
0.01710742 -0.01085527 0.00818132
7.36924566 14.35147361 4.70711290
0.00028649 -0.00032003 0.00072188
0.00729262 -0.03256274 0.01210391
9.06771186 12.10322635 4.09000950
-0.00050827 0.00027126 0.00125095
0.02878056 -0.01545400 -0.02352955
20.52011247 -13.07868440 -8.82168038
0.00001654 0.00019029 -0.00004902
-0.03483676 -0.02044652 0.01497549
23.31030177 -12.45565811 -8.76161604
-0.00039383 -0.00018811 -0.00100998
-0.02881837 0.00980511 -0.02056493
19.98919173 -4.88590394 -2.61387225
-0.00043401 -0.00038182 0.00048072
-0.01001827 -0.00317301 -0.00374246
18.26278300 -6.86979356 -1.24915376
0.00037255 0.00053503 0.00021533
-0.00783082 -0.00609870 -0.00435317
13.95698448 9.60649015 8.80262381
0.00022567 -0.00004664 0.00095070
-0.00750032 0.00562880 0.00418645
15.13788581 7.62276999 10.64171055
0.00033966 -0.00009542 0.00021508
-0.00424872 0.01158310 -0.02445585
2.99112470 -15.14419512 17.29037269
-0.00051642 -0.00001463 0.00094700
-0.00526405 0.00036042 0.00966761
3.45219491 -12.14142652 17.18271008
-0.00116401 -0.00040727 0.00036883
0.00330748 -0.01449757 0.00508830
-2.64422071 -3.79026154 -12.54490004
0.00026808 -0.00004843 0.00051284
-0.00493137 -0.00919398 0.00259234
-0.96445816 -1.56308667 -13.28421075
0.00027659 -0.00121948 -0.00094907
-0.00068447 -0.00013134 -0.00866399
16.14048979 -7.59934050 -14.85931034
-0.00066842 0.00066697 0.00009184
-0.00328372 -0.00211850 -0.01697127
16.65986321 -8.31107751 -12.17962396
-0.00003253 0.00012765 -0.00067236
0.01806921 -0.00798035 0.02204433
8.03912857 -3.74336492 6.15641418
0.00114777 0.00066830 -0.00103648
-0.03235555 0.00491865 -0.00297790
10.50003270 -4.32265644 5.08869551
-0.00024431 -0.00065608 0.00019143
0.00438265 0.00868865 0.02252259
-21.09401621 0.70435646 25.19582441
0.00119571 -0.00026004 0.00021090
0.01788606 0.00625884 -0.00273625
-19.21713136 2.90271068 25.96716356
-0.00071185 0.00003306 0.00073439
-0.00787631 -0.00632365 -0.00159024
25.28706788 -2.65733309 -7.24059399
-0.00069231 0.00080276 -0.00053603
0.00536039 -0.01517489 -0.01134161
23.52418649 -0.91178679 -9.07339948
-0.00034137 0.00013754 0.00045908
0.01596211 -0.00656086 -0.00024652
11.79296061 -10.03654819 -9.56538650
0.00052484 -0.00067988 0.00010744
0.00099548 -0.00462268 0.02673190
13.00699641 -9.42104934 -12.05089570
0.00020218 0.00002498 -0.00012010
-0.01589205 -0.00481063 -0.00133779
-7.38843194 -10.67623258 17.43547266
0.00028627 -0.00043221 -0.00052267
0.03227633 0.00193944 0.03038837
-10.29008076 -10.81755764 17.66584467
0.00016576 0.00140440 -0.00006368
0.01411350 0.00150093 -0.00416826
8.15669828 1.73525561 -29.35054080
0.00062815 -0.00112922 -0.00055313
-0.01629720 -0.00562561 0.00873936
5.33910615 0.68794661 -28.42011536
0.00015258 0.00030383 0.00055454
0.02376794 0.01425877 -0.00321760
14.11087754 19.32649760 13.62527088
-0.00073799 0.00015907 0.00045958
0.03406795 0.01062411 0.01164189
13.05776520 17.80426357 11.44894426
0.00028768 -0.00041129 -0.00064319
0.01675173 -0.01997352 -0.03233866
27.81414109 7.71606079 -11.61898874
-0.00038651 0.00017633 0.00038067
-0.01180075 -0.00008282 0.00613989
26.01415766 7.62143097 -9.26542565
-0.00011064 -0.00003214 0.00015196
0.01013927 0.00260246 0.02018282
-7.87359442 4.71195305 6.11870237
0.00012401 0.00006247 0.00009013
-0.00124897 -0.00543189 0.00352050
-10.39876852 9.16142023 2.97321450
0.00023071 -0.00009028 0.00018646
0.01121391 -0.00295591 0.01190224
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.07505867
0.28769257
383.33593131
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0592296512
ExchangeOperator: pair fraction: ispin=0: 0.1469118442
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.4251573470 (a.u.)
total exchange computation time: 2.8294539452 s
-154.3138410010
-931.36067253
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0592296512
ExchangeOperator: pair fraction: ispin=0: 0.1469118442
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.4243317010 (a.u.)
total exchange computation time: 2.8303210735 s
-154.3215976538
Anderson extrapolation: theta=1.3546585037 (1.3546585037)
-931.36091438
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0592296512
ExchangeOperator: pair fraction: ispin=0: 0.1469118442
ExchangeOperator: bisection time: 1.422 s
total exchange = -52.4231275543 (a.u.)
total exchange computation time: 2.8329567909 s
-154.3324599355
Anderson extrapolation: theta=0.0566349534 (0.0566349534)
-931.36106073
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0592296512
ExchangeOperator: pair fraction: ispin=0: 0.1469118442
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.4229942718 (a.u.)
total exchange computation time: 2.8298449516 s
-154.3334002070
Anderson extrapolation: theta=2.0678367847 (2.0000000000)
-931.36106722
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0592296512
ExchangeOperator: pair fraction: ispin=0: 0.1469118442
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.4227139865 (a.u.)
total exchange computation time: 2.8295090199 s
-154.3353065418
Anderson extrapolation: theta=0.2742773550 (0.2742773550)
-931.36107500
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0592296512
ExchangeOperator: pair fraction: ispin=0: 0.1469118442
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.4226400124 (a.u.)
total exchange computation time: 2.8324840069 s
-154.3357597257
Anderson extrapolation: theta=1.6150495432 (1.6150495432)
-931.36107682
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0592296512
ExchangeOperator: pair fraction: ispin=0: 0.1469118442
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.4225445683 (a.u.)
total exchange computation time: 2.8306009769 s
-154.3362971468
Anderson extrapolation: theta=0.3381426553 (0.3381426553)
-931.36107893
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0592296512
ExchangeOperator: pair fraction: ispin=0: 0.1469118442
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.4225365447 (a.u.)
total exchange computation time: 2.8319549561 s
-154.3362908698
Anderson extrapolation: theta=1.1632617515 (1.1632617515)
-931.36107955
-24.338152 27.511008 -167.558664
562.181339 1074.485723 -405.609072
537.843187 1101.996731 -573.167735
1353.585365
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0592296512
ExchangeOperator: pair fraction: ispin=0: 0.1469118442
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.4225454750 (a.u.)
total exchange computation time: 2.8311300278 s
679.66397869
-1085.60828922
89.70892012
-387.77833336
-174.92481082
79.24657474
551.60419304
0.00000000
-931.36108006
4.57053294 -30.91037900 -3.50438500
-0.00002251 -0.00016745 0.00001481
0.00036953 0.00326595 -0.00370735
-11.79645735 2.09485145 -9.35281032
0.00039685 0.00009366 0.00022418
-0.02909260 -0.00144620 -0.00387528
-36.20945258 1.36965077 3.11020839
-0.00004314 0.00002551 0.00007421
-0.00903941 -0.04129779 0.02922705
-7.47094804 -3.50492795 2.61513238
0.00013605 0.00019373 0.00015640
0.01005551 -0.01184270 -0.00568509
2.25320442 0.10603097 9.00289700
-0.00006781 -0.00000355 0.00020800
0.01467210 -0.02693912 -0.03065169
-31.03201002 1.45437465 2.64769357
-0.00001652 0.00008602 -0.00019891
0.00346418 0.00866771 0.00081547
16.92596002 13.20363379 -18.12638713
-0.00008346 -0.00019086 -0.00036031
-0.05883262 -0.02462294 -0.01894653
-3.42463007 5.15229154 5.53266353
-0.00004250 -0.00021382 -0.00011027
-0.01667615 -0.00638985 0.03848812
5.77708562 17.08544385 -6.97415599
-0.00026512 -0.00028073 -0.00022170
-0.01512430 -0.00023613 -0.01194054
7.26224624 5.73534883 -20.96073853
-0.00006686 0.00014887 0.00029743
-0.01586831 -0.01216780 0.00920481
18.61900184 19.65045526 -5.12496531
-0.00000090 -0.00000031 0.00003642
-0.00776023 -0.03339300 -0.02275311
1.95441852 13.95643629 -21.20580883
-0.00003526 0.00016458 -0.00011724
0.00798708 0.00960269 0.00715512
10.40242347 -5.29414371 0.41393555
0.00027362 0.00014217 0.00003742
0.02209338 -0.04738771 0.01857693
-18.11106936 -4.13728272 5.33970224
0.00055983 -0.00035460 -0.00002404
0.01720391 0.01127343 0.01329934
-14.27292163 -1.35303794 20.63564872
-0.00008857 0.00013454 0.00001685
0.00594582 -0.00521144 -0.03021453
1.60066608 3.75082587 -4.00155270
-0.00000856 0.00010704 -0.00010352
-0.00890321 -0.00598283 0.03552481
21.25326458 -10.63588405 -4.48239165
0.00014735 0.00013901 0.00004333
-0.02475747 -0.00132655 0.04876019
3.04767386 -10.39928169 7.84291217
-0.00003066 -0.00018503 -0.00025187
0.04279327 -0.00917741 -0.02251612
-1.88084836 -1.80047601 -19.59358247
-0.00005479 0.00004947 -0.00040761
-0.01704874 -0.00742881 -0.00930624
-0.40901043 3.59233036 -10.45687369
-0.00036451 0.00023531 -0.00035695
0.01259774 0.02909825 0.02607999
-4.99130588 14.66515938 14.47146683
0.00002600 0.00008893 -0.00010266
-0.00113907 0.01291861 0.00814322
-5.38790355 2.74533027 -7.26504717
0.00014980 0.00019128 0.00026119
-0.01125924 -0.02473235 0.00792236
-9.23798601 0.83308028 -4.06136998
-0.00009513 0.00020812 0.00022265
0.02332012 -0.02435593 -0.04469538
2.89110448 27.49079783 5.82228830
-0.00009162 0.00004452 -0.00016138
0.00412025 -0.01463504 0.02684250
9.95185671 -10.81114390 -1.51595513
-0.00025850 -0.00015390 0.00004272
0.03415321 0.01309611 -0.00485368
-6.77655685 1.02499454 9.27009292
0.00011578 0.00011414 0.00007489
-0.00142446 -0.02208097 -0.01135261
20.30077444 10.81331100 6.95705808
-0.00017566 -0.00001682 -0.00008241
0.01542153 -0.00195300 -0.01915153
-3.09972354 1.09457743 -23.85932354
-0.00005032 0.00003140 -0.00023017
0.08041937 -0.01237271 0.00682941
-13.68252275 8.79585989 8.62422117
0.00038734 -0.00009105 0.00030376
-0.00790971 -0.01960549 0.02550597
-13.55163238 6.05792150 -3.37751244
-0.00020335 -0.00007092 -0.00024927
0.01291445 -0.03732382 0.00842983
-2.36447510 -15.41359875 20.53970608
-0.00022768 -0.00015708 -0.00009860
-0.03087248 0.00703905 0.00872880
-6.00368007 7.70902595 -7.97827730
0.00000712 0.00034063 0.00031686
0.00225133 0.01430813 -0.01378745
-19.69529222 30.38390811 0.95484385
0.00017439 -0.00022114 -0.00019241
0.01005172 -0.00219615 0.00571836
9.85342681 3.81530807 7.96943558
0.00007821 -0.00000370 0.00012573
-0.01302703 -0.01348648 -0.03938006
7.22024484 16.06992328 -11.63070168
0.00011501 0.00023407 0.00017661
0.00303807 -0.02407091 -0.00342732
13.66388922 5.02625055 -1.24914314
-0.00027236 -0.00038263 -0.00008986
0.04549260 -0.04616367 0.02604932
-6.08242189 11.50450018 -2.01858098
-0.00004759 0.00022832 0.00046498
0.03313583 0.02100034 -0.01012332
7.83796567 12.59223913 5.26129933
-0.00016379 -0.00018768 -0.00002414
-0.04567510 0.05742674 0.01477266
21.65311287 -11.97169470 -9.57860163
-0.00047283 0.00011800 0.00030377
0.05483806 0.01705550 0.00036346
19.79400982 -5.92149701 -1.10190525
-0.00021715 0.00012105 0.00044523
0.01940878 0.01277960 0.01130893
14.80456283 8.02594338 8.80543707
0.00039068 -0.00000102 0.00020094
0.01861318 -0.02150876 0.02725576
3.82242642 -13.77962232 16.40998421
0.00015678 0.00011116 -0.00018284
-0.00083401 0.00538962 -0.01280729
-2.58283134 -2.38137790 -13.67344679
-0.00003088 0.00030352 0.00013843
0.00121569 0.00568132 0.00519012
15.51197513 -7.37773086 -13.16462170
0.00005354 -0.00011577 -0.00001957
-0.02230770 0.01153515 -0.00132321
9.74232508 -3.72506671 6.69457004
0.00021520 -0.00019003 -0.00015532
0.03206991 -0.00738503 -0.02420645
-19.39925762 1.40642827 24.87119184
-0.00009214 -0.00006577 -0.00013402
-0.00875063 0.00009191 0.00330700
24.23240178 -1.18669317 -7.41171838
-0.00025844 0.00017549 0.00001030
-0.01667144 0.02765027 0.01626797
11.62392992 -10.47877303 -11.30036515
-0.00004559 0.00011767 -0.00025809
0.01909009 0.02799436 -0.01440538
-8.86579585 -10.74961342 16.47572136
-0.00003884 0.00016192 -0.00015436
-0.06541937 -0.00175468 -0.04447530
6.90653887 1.59531041 -27.89722874
0.00022878 -0.00001455 -0.00003807
-0.00032938 -0.00889077 -0.01448464
12.64826554 18.68275523 12.90229160
0.00000721 -0.00023709 -0.00022324
-0.05014499 0.00178807 0.01623687
26.02791179 7.55086210 -11.07078176
0.00003096 0.00003864 -0.00005310
0.01427719 -0.00497151 -0.02535429
5.18352261 -29.80014922 -4.86077347
-0.00023523 -0.00065057 -0.00023745
-0.00181783 0.00119995 0.00859705
4.13152703 -29.83587000 -2.07228865
-0.00064730 0.00020900 0.00022711
0.00020474 -0.00977803 -0.00476500
-10.10669271 2.17569732 -8.85770020
-0.00056765 0.00066724 0.00005878
0.02990996 0.00085416 0.01149500
-11.82116152 2.59254849 -11.11708930
0.00027295 -0.00026113 0.00008607
-0.00691185 0.00426093 -0.00570162
-36.86261063 3.03494636 2.67479804
0.00019367 0.00147070 0.00105914
-0.00799893 0.01296193 -0.00512662
-37.56669822 0.36273626 3.96597851
0.00050573 0.00035459 -0.00033613
0.01781044 0.02098964 -0.02084884
-8.59495131 -4.19032592 1.31142649
-0.00038196 0.00006954 -0.00040653
-0.00666127 0.00221159 0.00555792
-6.27393840 -4.88341288 2.85050221
-0.00026671 -0.00021872 -0.00023386
-0.00452868 0.00325236 0.00418615
2.88902541 -0.10797915 7.21511735
0.00041301 -0.00022873 -0.00020588
-0.01704407 0.00974583 0.03550202
1.64154978 1.77530748 9.34135522
0.00032054 -0.00059205 -0.00013497
-0.00353248 0.00924291 -0.00479684
-30.06076949 -0.09397577 2.56728511
0.00072073 0.00110979 0.00067923
0.00189711 -0.00570231 0.00129324
-32.76934438 0.88988527 2.79269156
-0.00125300 -0.00004674 -0.00008082
-0.00580646 0.00363983 0.00177625
15.56203517 11.80661979 -18.39830373
0.00045455 -0.00050988 -0.00024090
0.03605897 0.04064826 0.00738572
18.20552359 12.33344264 -17.18562645
-0.00030477 0.00085905 -0.00134699
0.01951009 -0.01182683 0.01183068
-3.01417242 6.77750071 6.25521004
0.00030224 0.00004604 -0.00012824
0.00303573 0.00378980 -0.00086494
-3.02371996 5.21647302 3.83383277
0.00025366 -0.00025987 0.00029133
0.01438532 0.00506352 -0.04191502
5.85616373 16.57033999 -8.76982565
0.00050195 0.00025553 0.00087441
0.00349735 -0.00599625 0.00380742
7.16980725 18.22306601 -6.94576090
0.00051526 0.00068785 0.00068744
0.01383073 0.00785166 0.00848091
7.50590696 5.00167571 -22.68327348
0.00073728 -0.00052994 -0.00055132
0.01232745 0.03177680 0.01405565
8.57737930 6.91816218 -20.37681093
0.00030027 0.00030725 -0.00063147
-0.00056707 -0.00857747 -0.01662574
19.20952630 21.00095233 -4.05744838
-0.00000630 -0.00051773 -0.00107393
0.01020373 0.01976001 -0.00208567
19.41890200 19.54019257 -6.78633552
-0.00012116 0.00026249 -0.00036850
0.00174078 0.01139962 0.02183214
1.52060369 12.32495624 -20.52323885
-0.00027780 -0.00029385 -0.00016672
0.00140940 -0.00242566 -0.00556798
0.45334687 14.67903591 -21.95849187
0.00100774 0.00112553 -0.00140009
-0.00830340 -0.00121342 0.00256088
10.31757146 -6.90731164 -0.49939517
-0.00106986 -0.00047140 0.00127721
0.00178412 0.00615851 0.00677639
9.73655192 -4.13414802 -0.73298618
-0.00044363 -0.00062324 0.00060498
-0.02500185 0.03755094 -0.02595347
-18.20314357 -5.14463302 6.86265899
0.00011565 -0.00089907 0.00026476
-0.00595678 -0.00496717 -0.00596974
-18.68455492 -5.10409622 3.92641149
-0.00013811 0.00022586 -0.00046317
-0.00857419 -0.01074406 -0.00505577
-14.32601686 -0.18554675 19.13362948
-0.00003290 -0.00042590 0.00095393
-0.00460459 -0.00721198 0.02242980
-14.19117226 -0.46597062 22.21774773
-0.00055598 0.00041187 0.00022850
-0.00281861 0.01323545 0.00296051
1.20230174 2.92072020 -2.36927213
-0.00027119 -0.00097219 -0.00093500
0.00382649 0.01723949 -0.01194289
2.04586485 2.25913918 -4.88640445
-0.00007797 0.00031519 -0.00080598
0.00478149 -0.01326988 -0.02330057
21.75301505 -10.58725919 -6.14082898
-0.00103656 -0.00004126 -0.00067794
0.00472851 0.00216832 -0.05760724
22.62461289 -9.88262396 -3.61727238
-0.00096173 -0.00088765 0.00000844
0.01589410 0.00824942 0.01476101
4.73866695 -10.40005864 6.89916952
0.00024248 -0.00020074 -0.00009700
-0.03735339 0.00165069 0.02056415
3.25697253 -11.82666539 9.01346034
0.00070730 0.00035647 -0.00010394
-0.00468637 0.00886580 -0.00128616
-2.11130994 -3.20519224 -20.79189663
-0.00005959 0.00034219 0.00033360
0.00573579 -0.00023350 0.00782352
-3.43757887 -1.87403148 -18.60864891
-0.00016140 -0.00063337 0.00065120
0.01225587 0.00214270 -0.00033642
0.61788188 5.05302162 -9.86269553
0.00103031 0.00008580 -0.00105625
-0.00685104 -0.01947370 -0.02098412
-1.48158087 3.46279833 -8.98035416
-0.00041579 -0.00084383 0.00154455
-0.00635944 -0.00776986 -0.00447768
-3.73170887 15.44351295 15.58901260
0.00026536 0.00110903 0.00034779
-0.01878335 -0.01108409 -0.00744588
-6.67393758 14.96752148 15.21339186
-0.00058405 0.00047287 -0.00100719
0.02057780 -0.00369363 -0.00450147
-6.79548016 1.95704051 -6.28749082
0.00022813 0.00017817 0.00018686
0.01296950 0.01050069 -0.00043064
-4.83502237 1.33494527 -8.29027125
0.00020259 -0.00004695 -0.00021524
-0.00274775 0.00758788 -0.00327060
-10.02161781 -0.72556564 -3.65943811
0.00034615 -0.00078151 -0.00084909
-0.00824425 -0.00745789 0.00670011
-9.56468863 2.07217396 -2.86000698
-0.00025383 0.00059425 0.00012262
-0.00809542 0.03328763 0.03127424
3.13959699 29.01363898 4.90276025
0.00056569 -0.00025003 -0.00061896
0.00115143 0.01699467 -0.00439259
3.28814132 27.72489331 7.62674748
-0.00022649 -0.00070388 0.00137195
-0.00470529 0.00566873 -0.01972114
8.28897439 -10.74173889 -0.96950798
-0.00011357 -0.00091915 0.00010298
-0.04932787 0.00347266 -0.00086006
10.77999152 -11.06995010 0.13928444
-0.00023938 -0.00039169 0.00046637
0.00549915 -0.00893020 -0.00978302
-5.28753567 -0.02874682 8.74090037
-0.00129090 -0.00021424 -0.00012494
-0.02070616 0.00951979 0.00845128
-8.27856495 -0.08023411 9.11812714
0.00017434 -0.00024311 -0.00047070
0.02181194 0.01081179 0.00211330
20.35862641 11.03240952 8.75651133
0.00019380 -0.00037047 -0.00100153
0.00432678 -0.00290892 0.00826852
22.10105272 11.03043107 6.42442493
-0.00137194 -0.00088975 0.00113947
-0.01705344 0.00012250 0.01505367
-2.86240194 -0.02602867 -22.42251331
0.00021579 -0.00176492 0.00023195
0.00122197 0.00458374 0.00891670
-4.77270254 1.23038735 -24.11817577
0.00012914 0.00069392 0.00006804
-0.08180927 0.01019656 -0.01187429
-12.55530991 9.80817237 9.72750933
0.00002575 0.00039755 -0.00086450
-0.00284731 -0.00627265 -0.00694941
-13.48909101 9.54697103 7.02108636
0.00026352 -0.00038733 -0.00007065
-0.00094672 0.01127702 -0.01758337
-14.40695030 4.89192359 -4.48711117
-0.00112660 -0.00018370 0.00059153
-0.00339790 -0.00139923 -0.00835692
-13.83779555 7.71152417 -3.90257255
0.00087710 -0.00028354 -0.00084213
-0.01057794 0.03115389 -0.01172034
-4.21271216 -15.59526231 20.26678677
-0.00026465 -0.00008780 0.00040379
0.02650492 -0.00236402 0.00323235
-1.56764765 -16.69945501 19.55186853
-0.00048250 0.00009731 0.00007121
-0.00292525 -0.00546963 -0.00874420
-5.44874796 6.03524219 -7.52018258
0.00104313 0.00015947 -0.00028929
-0.01317247 -0.00525349 0.00516738
-7.45897318 8.32008306 -7.01408665
-0.00020790 0.00035884 0.00029265
0.00976475 -0.00471749 -0.00046848
-20.99410969 29.17563078 0.62694097
0.00099585 -0.00034162 0.00115116
-0.01327626 0.00007287 -0.00330939
-18.15195842 29.40130897 0.73066812
0.00005140 0.00018616 -0.00129615
0.00294249 0.00577450 0.00333228
9.31581343 2.72260468 6.47922430
-0.00045174 -0.00035979 -0.00049367
0.00773022 0.02297142 0.02908591
9.04915593 5.50020734 7.73643446
-0.00035771 0.00067582 -0.00058810
0.01011888 -0.01187954 0.00921046
7.90463031 17.57772823 -12.31472172
-0.00079508 0.00063117 -0.00005959
0.00879722 0.01654292 -0.00524316
8.50627855 14.82984606 -12.15304977
0.00016467 -0.00001952 -0.00061017
-0.01400645 0.00483603 0.00782847
12.15524049 5.85883836 -1.08743873
-0.00016371 0.00010917 0.00023051
-0.04845687 0.03494711 -0.00546850
13.63484481 4.00437318 0.35741784
-0.00030790 -0.00049823 -0.00023416
0.00830035 0.00843442 -0.02088237
-4.25731695 11.06673648 -2.04733131
-0.00062245 -0.00089417 0.00021317
-0.02460485 -0.00778871 0.01035136
-7.19864866 10.83517860 -0.77077380
0.00042054 0.00041858 -0.00020420
0.01262251 -0.01347050 0.01269764
7.37376645 14.34567530 4.71831204
0.00031431 -0.00044762 0.00076941
0.00632757 -0.02989021 0.01116196
9.06096969 12.10682162 4.10805270
-0.00037495 0.00020203 0.00114020
0.03648178 -0.01843286 -0.03068107
20.51929302 -13.07645654 -8.82195680
-0.00013123 0.00010086 0.00001572
-0.03749711 -0.02333304 0.01671759
23.30351129 -12.45817934 -8.77739593
-0.00050733 -0.00014899 -0.00109100
-0.02674165 0.00934404 -0.01909603
19.98237464 -4.89172843 -2.60677613
-0.00047331 -0.00039149 0.00046196
-0.00922008 -0.00156351 -0.00544182
18.26813132 -6.86195503 -1.24605714
0.00033079 0.00050311 0.00019763
-0.01261259 -0.00952314 -0.00431582
13.96013971 9.60596305 8.81701259
0.00019504 -0.00002421 0.00096722
-0.00749227 0.00534993 0.00389841
15.14285052 7.62169363 10.64418730
0.00032279 -0.00004886 0.00011544
-0.00400824 0.01120909 -0.02431856
2.98321705 -15.14440351 17.30487391
-0.00053049 -0.00000426 0.00097746
-0.00162233 0.00471561 0.00524549
3.43483616 -12.14797984 17.18839846
-0.00114897 -0.00046476 0.00038765
0.00405354 -0.01364526 0.00412180
-2.64035061 -3.79126965 -12.53712806
0.00024758 -0.00007955 0.00051772
-0.00510509 -0.00604207 -0.00020211
-0.96033029 -1.58138292 -13.29871232
0.00028081 -0.00121466 -0.00098259
0.00274950 0.00249242 -0.00774503
16.13036286 -7.58940086 -14.85845276
-0.00067940 0.00065735 0.00001731
-0.00208841 -0.00258895 -0.01951263
16.65992894 -8.30940730 -12.18903388
0.00004760 0.00009008 -0.00057778
0.02115483 -0.01040973 0.02425393
8.05535369 -3.73318965 6.14077574
0.00100436 0.00068933 -0.00105013
-0.03784660 0.00537500 -0.00370329
10.49650233 -4.33223145 5.09225715
-0.00022201 -0.00062203 0.00027949
0.00653215 0.00798216 0.02058176
-21.07553241 0.70064766 25.19890406
0.00125469 -0.00024063 0.00020128
0.01098342 0.00324154 -0.00197094
-19.22805043 2.90301284 25.97813075
-0.00074317 0.00000279 0.00072379
-0.00745835 -0.00849623 -0.00359861
25.27684755 -2.64575667 -7.24898200
-0.00066316 0.00073070 -0.00058069
0.00890600 -0.02010146 -0.01051940
23.51955508 -0.90992480 -9.06652076
-0.00027883 0.00011219 0.00045246
0.01464954 -0.00584767 -0.00299634
11.80086364 -10.04688802 -9.56295580
0.00052857 -0.00069986 0.00021228
0.00083347 -0.00515993 0.02458800
13.00954219 -9.42082207 -12.05273827
0.00013646 0.00000527 -0.00012505
-0.01627930 -0.00483844 -0.00108180
-7.38314888 -10.68265627 17.42856380
0.00041606 -0.00042412 -0.00039970
0.03126031 0.00202085 0.02980867
-10.28716186 -10.79644568 17.66476174
0.00022185 0.00140969 -0.00007912
0.01334036 0.00109039 -0.00338970
8.16562110 1.71814489 -29.35856997
0.00055820 -0.00115093 -0.00051309
-0.01794429 -0.00499887 0.01086346
5.34212315 0.69294099 -28.41189585
0.00024699 0.00036013 0.00054027
0.02244576 0.01329839 -0.00376698
14.10085163 19.32920926 13.63252126
-0.00059640 0.00020325 0.00050742
0.03524279 0.01099843 0.01177732
13.06259366 17.79748223 11.43830544
0.00035464 -0.00048644 -0.00076488
0.01602955 -0.01681674 -0.02722892
27.80798183 7.71870319 -11.61309049
-0.00042818 0.00017628 0.00040361
-0.00859495 0.00005918 0.00508754
26.01280880 7.62102857 -9.26252780
-0.00006945 -0.00002163 0.00023119
0.01002085 0.00254562 0.01860308
-7.87173759 4.71287558 6.12006372
0.00012355 0.00006054 0.00009138
-0.00134110 -0.00538354 0.00348112
-10.39528833 9.16006088 2.97603219
0.00023330 -0.00009097 0.00018921
0.01113320 -0.00297046 0.01178788
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.07475176
0.28632830
381.51810413
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0592296512
ExchangeOperator: pair fraction: ispin=0: 0.1469118442
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.4272208607 (a.u.)
total exchange computation time: 2.8311638832 s
-154.3184206512
-931.35915556
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0592296512
ExchangeOperator: pair fraction: ispin=0: 0.1469118442
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.4263139839 (a.u.)
total exchange computation time: 2.8342959881 s
-154.3266444880
Anderson extrapolation: theta=1.3487894045 (1.3487894045)
-931.35940752
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0592296512
ExchangeOperator: pair fraction: ispin=0: 0.1469118442
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.4249880398 (a.u.)
total exchange computation time: 2.8309190273 s
-154.3381605970
Anderson extrapolation: theta=0.0542428823 (0.0542428823)
-931.35955818
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0592296512
ExchangeOperator: pair fraction: ispin=0: 0.1469118442
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.4248355831 (a.u.)
total exchange computation time: 2.8311109543 s
-154.3391856484
Anderson extrapolation: theta=2.0004766666 (2.0000000000)
-931.35956424
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0592296512
ExchangeOperator: pair fraction: ispin=0: 0.1469118442
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.4245071421 (a.u.)
total exchange computation time: 2.8299980164 s
-154.3413219162
Anderson extrapolation: theta=0.2293879021 (0.2293879021)
-931.35957088
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0592296512
ExchangeOperator: pair fraction: ispin=0: 0.1469118442
ExchangeOperator: bisection time: 1.422 s
total exchange = -52.4244252838 (a.u.)
total exchange computation time: 2.8294608593 s
-154.3418029332
Anderson extrapolation: theta=1.7932735834 (1.7932735834)
-931.35957216
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0592296512
ExchangeOperator: pair fraction: ispin=0: 0.1469118442
ExchangeOperator: bisection time: 1.421 s
total exchange = -52.4242973142 (a.u.)
total exchange computation time: 2.8296790123 s
-154.3425100900
Anderson extrapolation: theta=0.2674835628 (0.2674835628)
-931.35957361
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0592296512
ExchangeOperator: pair fraction: ispin=0: 0.1469118442
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.4242826917 (a.u.)
total exchange computation time: 2.8291420937 s
-154.3425459188
Anderson extrapolation: theta=1.3050318071 (1.3050318071)
-931.35957395
-24.359533 27.507980 -167.522560
562.135848 1074.474330 -405.642677
537.776315 1101.982310 -573.165237
1353.545997
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0592296512
ExchangeOperator: pair fraction: ispin=0: 0.1469118442
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.4242788363 (a.u.)
total exchange computation time: 2.8292849064 s
679.69098679
-1085.66904816
89.70832555
-387.73649209
-174.92906745
79.28021990
551.60419304
0.00000000
-931.35957420
4.57019671 -30.91287819 -3.50417708
-0.00002266 -0.00016552 0.00001388
-0.00097153 0.00425423 0.00008784
-11.79061679 2.09625082 -9.34946261
0.00037980 0.00009278 0.00022140
-0.03722491 -0.00197716 -0.00691336
-36.21013450 1.36987409 3.11143426
-0.00004741 0.00000651 0.00008826
-0.00757725 -0.03256077 0.02541005
-7.46886851 -3.50206775 2.61745642
0.00014045 0.00018710 0.00015258
0.00707112 -0.01390185 -0.00916466
2.25224383 0.10587388 9.00589874
-0.00005943 -0.00001891 0.00019125
0.01791513 -0.03280385 -0.03449021
-31.03224452 1.45569836 2.64471300
-0.00001727 0.00009087 -0.00019823
-0.00636727 0.01020959 0.00183556
16.92448113 13.20067589 -18.13186487
-0.00011502 -0.00020237 -0.00037111
-0.06389585 -0.02012661 -0.02306835
-3.42533194 5.14905959 5.53115787
-0.00005106 -0.00021650 -0.00008970
-0.01660485 -0.00401593 0.04150938
5.77305052 17.08123204 -6.97752753
-0.00027081 -0.00027857 -0.00022584
-0.00700250 0.00863323 -0.00417887
7.26118212 5.73753502 -20.95624158
-0.00007446 0.00014201 0.00030064
-0.01368171 -0.01452737 0.00326232
18.61895847 19.65032175 -5.12450679
-0.00000523 -0.00001889 0.00002308
-0.00909811 -0.03883770 -0.02911490
1.95392040 13.95894197 -21.20753978
-0.00003115 0.00016895 -0.00011330
0.00801890 0.00741230 0.00814044
10.40661302 -5.29219402 0.41456854
0.00028541 0.00011710 0.00004784
0.02372905 -0.05006761 0.02192375
-18.10260557 -4.14255825 5.33939289
0.00056842 -0.00034965 -0.00001680
0.01622469 0.00799159 0.01486749
-14.27422722 -1.35103994 20.63578490
-0.00008550 0.00013125 0.00000324
0.00600186 -0.00760065 -0.02268798
1.60050332 3.75240841 -4.00296850
-0.00001294 0.00010356 -0.00008586
-0.00811673 -0.00754290 0.03314961
21.25537937 -10.63380395 -4.48155360
0.00013260 0.00013705 0.00006588
-0.03259995 -0.00629656 0.03891389
3.04737909 -10.40209251 7.83904730
-0.00000845 -0.00018949 -0.00026362
0.04354162 -0.00817362 -0.02317177
-1.88173597 -1.79976262 -19.59973252
-0.00006442 0.00004647 -0.00041091
-0.02041795 -0.00424333 -0.00350866
-0.41442941 3.59597222 -10.46212735
-0.00035937 0.00025015 -0.00034127
0.00736387 0.02863248 0.03491013
-4.99092022 14.66654316 14.46995838
0.00002610 0.00009618 -0.00009762
0.00150315 0.01527633 0.01144274
-5.38569993 2.74810413 -7.26109884
0.00014453 0.00017803 0.00026460
-0.00924393 -0.02680190 0.00536049
-9.23932303 0.83610819 -4.05820266
-0.00008350 0.00019526 0.00020008
0.02189178 -0.02566619 -0.04305677
2.88974612 27.49140916 5.81997121
-0.00008917 0.00003707 -0.00014569
0.00538268 -0.01433727 0.03414203
9.94811096 -10.81340187 -1.51533301
-0.00024055 -0.00014720 0.00004080
0.03565419 0.01294778 -0.00263417
-6.77482561 1.02662146 9.27117254
0.00011371 0.00010295 0.00006925
-0.00662778 -0.02142419 -0.01061141
20.29819897 10.81305112 6.95574803
-0.00016983 -0.00001832 -0.00009312
0.00725163 -0.00387664 -0.02250284
-3.10016811 1.09500068 -23.86274970
-0.00000853 0.00002342 -0.00022472
0.08207094 -0.01865384 0.01434281
-13.67674317 8.79441848 8.62887600
0.00038272 -0.00010128 0.00031555
-0.01006369 -0.02015856 0.02031437
-13.55463278 6.05671372 -3.38121903
-0.00019673 -0.00009045 -0.00024468
0.01280526 -0.03861411 0.00943922
-2.36800943 -15.41592779 20.53826077
-0.00024376 -0.00015282 -0.00009362
-0.03164219 0.00953313 0.01064800
-6.00356458 7.71419057 -7.97357762
0.00000841 0.00034759 0.00030988
0.00276436 0.01275614 -0.01335282
-19.69263766 30.38058258 0.95197976
0.00018043 -0.00022113 -0.00018924
0.01343999 0.00223355 0.00661582
9.85454976 3.81520056 7.97116961
0.00007059 -0.00001002 0.00010447
-0.01660832 -0.01107383 -0.04328753
7.22198175 16.07334145 -11.62806583
0.00011705 0.00022143 0.00017453
0.00487837 -0.02508799 -0.00464104
13.65997936 5.02033300 -1.25039051
-0.00024977 -0.00040586 -0.00007663
0.04235396 -0.04415664 0.02539322
-6.08300794 11.50800594 -2.01164526
-0.00002999 0.00023975 0.00045859
0.03530036 0.02346393 -0.01476147
7.83533270 12.58964544 5.26099420
-0.00018862 -0.00015846 -0.00001475
-0.05090325 0.05621471 0.02175579
21.64623189 -11.96985897 -9.57404364
-0.00044504 0.00012739 0.00030324
0.05324983 0.01948420 -0.00244291
19.79082736 -5.91963191 -1.09518314
-0.00020621 0.00012802 0.00045141
0.02314380 0.01432235 0.01272027
14.81049482 8.02584512 8.80855633
0.00040007 -0.00001176 0.00021485
0.01791257 -0.02027661 0.02681470
3.82477487 -13.77793409 16.40719214
0.00015527 0.00011257 -0.00018813
-0.00503773 0.00007983 -0.00776365
-2.58328980 -2.37680325 -13.67135026
-0.00003113 0.00030493 0.00014163
-0.00220344 -0.00019994 0.00723044
15.51269215 -7.37942285 -13.16492037
0.00004126 -0.00010927 -0.00002012
-0.02545428 0.01371907 -0.00082618
9.74567680 -3.72794558 6.69214694
0.00023214 -0.00019371 -0.00016701
0.03378581 -0.00692900 -0.02127047
-19.40067344 1.40544214 24.86919435
-0.00009479 -0.00006429 -0.00013206
-0.00156471 0.00564634 0.00429599
24.22846081 -1.18395412 -7.41150118
-0.00026754 0.00019065 0.00001917
-0.01871416 0.03129670 0.01825208
11.62331969 -10.47690007 -11.30429202
-0.00003565 0.00013223 -0.00026477
0.01957169 0.02864528 -0.01159021
-8.86663075 -10.74719141 16.47323435
-0.00007146 0.00016115 -0.00017698
-0.06145708 -0.00122909 -0.04347785
6.90996932 1.59505794 -27.89785563
0.00022942 -0.00001884 -0.00004583
0.00282300 -0.00782041 -0.01568320
12.64818029 18.67920585 12.89900570
-0.00001822 -0.00023706 -0.00021630
-0.04873810 -0.00167296 0.01072572
26.02843125 7.55142254 -11.07167610
0.00003737 0.00003601 -0.00006515
0.01065199 -0.00525067 -0.02150519
5.17993853 -29.80987097 -4.86407171
-0.00024203 -0.00064371 -0.00020343
-0.00151243 0.00215901 0.00805563
4.12182379 -29.83303464 -2.06902803
-0.00064407 0.00016492 0.00020140
0.00137773 -0.01179754 -0.00782123
-10.11429098 2.18573205 -8.85646619
-0.00042860 0.00067185 0.00011123
0.03815551 0.00140555 0.01417963
-11.81727914 2.58876205 -11.11597293
0.00024430 -0.00024391 0.00006357
-0.00710855 0.00417225 -0.00531505
-36.85995065 3.05740409 2.69052811
0.00016565 0.00151213 0.00103987
-0.00571840 0.00731891 -0.00430746
-37.55856649 0.36869835 3.96029776
0.00057081 0.00043483 -0.00041628
0.01404861 0.01828847 -0.01838722
-8.60088484 -4.18921501 1.30549888
-0.00040329 0.00008268 -0.00037669
-0.00377950 0.00421746 0.00904688
-6.27807777 -4.88659400 2.84712262
-0.00028481 -0.00020554 -0.00021662
-0.00433298 0.00319795 0.00425048
2.89469829 -0.11111146 7.21311706
0.00034154 -0.00018832 -0.00005548
-0.01794389 0.01003328 0.03811727
1.64624960 1.76671000 9.33918367
0.00030174 -0.00054332 -0.00015235
-0.00567046 0.01460875 -0.00371110
-30.04990046 -0.07750359 2.57751312
0.00073009 0.00107982 0.00068385
0.00268742 -0.00897186 0.00097013
-32.78831730 0.88929573 2.79153363
-0.00125894 -0.00002814 -0.00007496
0.00289737 0.00546477 0.00109249
15.56995842 11.80021717 -18.40169088
0.00059961 -0.00034516 -0.00021118
0.03494832 0.03998129 0.00716092
18.20154992 12.34596603 -17.20546874
-0.00021301 0.00080295 -0.00128996
0.02540483 -0.01563590 0.01608396
-3.00954581 6.77830744 6.25325997
0.00031327 0.00005709 -0.00013321
0.00236628 0.00161703 -0.00156995
-3.01947431 5.21273008 3.83691839
0.00031365 -0.00023957 0.00011533
0.01497991 0.00487377 -0.04424262
5.86380016 16.57398919 -8.75659287
0.00051643 0.00022685 0.00087535
0.00358915 -0.00804117 -0.00334627
7.17795998 18.23362434 -6.93518939
0.00055477 0.00070611 0.00072127
0.00550970 0.00108803 0.00807639
7.51734390 4.99470038 -22.69111252
0.00078450 -0.00039546 -0.00048291
0.01078627 0.03404933 0.01943045
8.58186597 6.92250815 -20.38679241
0.00029715 0.00027211 -0.00069797
-0.00096107 -0.00862458 -0.01592593
19.20974450 20.99379194 -4.07362121
0.00003977 -0.00042548 -0.00107274
0.01234931 0.02539617 0.00266892
19.41713793 19.54447924 -6.79119408
-0.00011609 0.00030846 -0.00027620
0.00074079 0.01110354 0.02335236
1.51647986 12.32047416 -20.52591030
-0.00027206 -0.00029647 -0.00019298
0.00140187 0.00114261 -0.00728478
0.46820854 14.69588167 -21.97941481
0.00097337 0.00111774 -0.00138782
-0.00852148 -0.00260127 0.00344701
10.30157824 -6.91419397 -0.48002938
-0.00106205 -0.00044610 0.00130388
0.00203607 0.00622907 0.00627823
9.72913137 -4.14234592 -0.72470682
-0.00054940 -0.00046436 0.00049283
-0.02677338 0.04022069 -0.02894495
-18.20159136 -5.15827133 6.86644742
0.00009190 -0.00091482 0.00023295
-0.00567034 -0.00273928 -0.00960247
-18.68688937 -5.10103749 3.91930907
-0.00017170 0.00018407 -0.00047971
-0.00786747 -0.00971291 -0.00304118
-14.32665152 -0.19215621 19.14862575
-0.00005176 -0.00044796 0.00103539
-0.00462659 -0.00358615 0.01744604
-14.19959840 -0.45938706 22.22126598
-0.00056758 0.00046293 0.00023614
-0.00285520 0.01176290 0.00078029
1.19835116 2.90666565 -2.38366303
-0.00025678 -0.00090210 -0.00097999
0.00322643 0.01707072 -0.01008214
2.04484176 2.26346038 -4.89920822
-0.00005907 0.00026458 -0.00090012
0.00447069 -0.01150133 -0.02278055
21.73761155 -10.58781162 -6.15276330
-0.00101919 -0.00003181 -0.00090241
0.00377407 0.00245650 -0.05227386
22.61067401 -9.89568591 -3.61669344
-0.00087880 -0.00084449 0.00007765
0.02469913 0.01287557 0.01911606
4.74115948 -10.40301920 6.89834466
0.00008883 -0.00019338 -0.00001348
-0.03785914 0.00195409 0.02032046
3.26743849 -11.82104673 9.01186186
0.00068749 0.00039022 -0.00010700
-0.00501087 0.00765919 -0.00021047
-2.11202806 -3.20006659 -20.78665295
-0.00003709 0.00033342 0.00035930
0.00527931 -0.00405973 0.00475639
-3.43962437 -1.88346641 -18.59889126
-0.00010343 -0.00062371 0.00064431
0.01612164 0.00258700 -0.00303526
0.63312654 5.05371185 -9.87918236
0.00099671 0.00000227 -0.00114058
-0.00959576 -0.02141573 -0.02029567
-1.48801267 3.44990277 -8.95732319
-0.00042523 -0.00087050 0.00150702
0.00174235 -0.00528276 -0.01389004
-3.72830407 15.45980880 15.59400123
0.00018020 0.00105894 0.00031079
-0.02290088 -0.01343540 -0.01066420
-6.68206778 14.97450137 15.19814601
-0.00049689 0.00045766 -0.00102560
0.02208723 -0.00375153 -0.00451009
-6.79166086 1.96003483 -6.28470114
0.00027961 0.00022025 0.00018615
0.01223250 0.01009944 0.00008426
-4.83206777 1.33447354 -8.29360002
0.00018879 -0.00001067 -0.00022464
-0.00400563 0.01016909 -0.00133147
-10.01667823 -0.73751679 -3.67196909
0.00031557 -0.00080338 -0.00082183
-0.00672163 -0.00324909 0.00664006
-9.56874411 2.08210781 -2.85720936
-0.00028673 0.00072419 0.00024674
-0.00801228 0.03031848 0.02948342
3.14811761 29.01040932 4.89334126
0.00057092 -0.00018140 -0.00063421
0.00141152 0.01659976 -0.00307477
3.28459980 27.71450885 7.64672239
-0.00024877 -0.00068045 0.00127361
-0.00619893 0.00579850 -0.02841521
8.28575932 -10.75541975 -0.96798966
-0.00031621 -0.00090534 0.00009946
-0.04986844 0.00328997 -0.00086229
10.77656935 -11.07609914 0.14598024
-0.00021853 -0.00042741 0.00042217
0.00470388 -0.00855161 -0.01185325
-5.30753366 -0.03166876 8.73928524
-0.00136463 -0.00017895 -0.00009295
-0.01538638 0.00775787 0.00720915
-8.27528143 -0.08354942 9.11113140
0.00026321 -0.00019619 -0.00046093
0.02168969 0.01215229 0.00267012
20.36166606 11.02676328 8.74174171
0.00020928 -0.00038077 -0.00095172
0.00324779 -0.00212980 0.01611714
22.07995104 11.01708860 6.44197824
-0.00142260 -0.00088699 0.00119155
-0.00774355 0.00122551 0.01044239
-2.85912769 -0.05236198 -22.41876089
0.00021705 -0.00173262 0.00025265
-0.00060492 0.01122847 0.00121720
-4.77327230 1.24110867 -24.11751906
-0.00020439 0.00073546 0.00002058
-0.08145468 0.01013721 -0.01135902
-12.55501091 9.81394348 9.71432889
0.00001903 0.00037541 -0.00088632
-0.00044340 -0.00456696 -0.00373413
-13.48516716 9.54150658 7.01948787
0.00025855 -0.00034384 -0.00013899
-0.00148820 0.01001430 -0.01587077
-14.42395348 4.88912521 -4.47849425
-0.00114015 -0.00018961 0.00055650
-0.00323536 -0.00149602 -0.00879208
-13.82496318 7.70822579 -3.91556362
0.00083378 -0.00015412 -0.00089093
-0.01062774 0.03219500 -0.01216675
-4.21586967 -15.59665171 20.27294273
-0.00015744 -0.00009797 0.00041641
0.02597468 -0.00261507 0.00294112
-1.57497483 -16.69816293 19.55266878
-0.00049181 0.00007046 0.00003241
-0.00163133 -0.00767480 -0.01025210
-5.43350463 6.03747324 -7.52436354
0.00098621 0.00014283 -0.00026833
-0.01469044 -0.00288962 0.00509365
-7.46179239 8.32532111 -7.00971120
-0.00016628 0.00033737 0.00029015
0.01060453 -0.00579033 -0.00075504
-20.97957877 29.17050865 0.64410701
0.00093177 -0.00034972 0.00113555
-0.01808961 -0.00403762 -0.00433182
-18.15109726 29.40427831 0.71132805
0.00006602 0.00020906 -0.00128233
0.00421396 0.00543401 0.00342927
9.30927423 2.71791172 6.47271053
-0.00041726 -0.00026214 -0.00036878
0.00914888 0.02482760 0.03204852
9.04410042 5.50998059 7.72789524
-0.00031147 0.00061822 -0.00054787
0.01251192 -0.01631285 0.01047890
7.89297363 17.58770264 -12.31577619
-0.00075945 0.00069569 -0.00008046
0.00864662 0.01504434 -0.00497502
8.50831934 14.82970137 -12.16196249
0.00010428 0.00000523 -0.00057669
-0.01555307 0.00728150 0.00856247
12.15130000 5.86154678 -1.08414872
-0.00035528 0.00024897 0.00020798
-0.04532029 0.03348871 -0.00555840
13.63048070 3.99715818 0.35326557
-0.00027391 -0.00046466 -0.00031775
0.00833471 0.00799670 -0.02003643
-4.26740765 11.05308522 -2.04381662
-0.00071859 -0.00092586 0.00025502
-0.02245653 -0.00772366 0.01013800
-7.19195383 10.84104450 -0.77344774
0.00046281 0.00035834 -0.00014324
0.00806891 -0.01601894 0.01714167
7.37867503 14.33804514 4.73019524
0.00033773 -0.00056218 0.00081250
0.00513512 -0.02618822 0.00992968
9.05646334 12.10928722 4.12421558
-0.00021260 0.00012175 0.00100294
0.04299046 -0.02086278 -0.03650833
20.51617552 -13.07565868 -8.82120865
-0.00028709 0.00000223 0.00008577
-0.03879431 -0.02494328 0.01757104
23.29508190 -12.46012790 -8.79434615
-0.00061056 -0.00011242 -0.00116532
-0.02379258 0.00855839 -0.01728129
19.97499248 -4.89764874 -2.60001352
-0.00050930 -0.00039458 0.00043629
-0.00839762 0.00005425 -0.00712093
18.27270666 -6.85470014 -1.24322501
0.00027032 0.00045769 0.00018018
-0.01698597 -0.01271043 -0.00422599
13.96283576 9.60576384 8.83164029
0.00016486 -0.00000370 0.00098247
-0.00728072 0.00469041 0.00357087
15.14756957 7.62130424 10.64517366
0.00030716 -0.00000421 0.00001764
-0.00364468 0.01064559 -0.02355369
2.97520997 -15.14432289 17.31969661
-0.00052988 0.00002321 0.00098997
0.00192336 0.00873277 0.00087799
3.41772583 -12.15536942 17.19433944
-0.00113099 -0.00051831 0.00040258
0.00474761 -0.01256751 0.00318859
-2.63679338 -3.79264806 -12.52936846
0.00022640 -0.00009767 0.00051116
-0.00526373 -0.00282735 -0.00300745
-0.95603391 -1.59952641 -13.31368856
0.00029902 -0.00119946 -0.00101246
0.00616565 0.00494739 -0.00687444
16.12010794 -7.57961989 -14.85879103
-0.00068585 0.00064593 -0.00006642
-0.00106918 -0.00300109 -0.02147308
16.66129117 -8.30837507 -12.19695736
0.00013868 0.00004395 -0.00047580
0.02342845 -0.01217255 0.02566623
8.06925934 -3.72268497 6.12491035
0.00084164 0.00071232 -0.00106613
-0.04180476 0.00587575 -0.00413209
10.49337229 -4.34131726 5.09708017
-0.00019064 -0.00059139 0.00035850
0.00882759 0.00701608 0.01809299
-21.05637548 0.69713753 25.20186291
0.00128409 -0.00023439 0.00019516
0.00340974 -0.00018516 -0.00102579
-19.23942659 2.90279430 25.98887738
-0.00077261 -0.00003583 0.00070526
-0.00695169 -0.01040673 -0.00547458
25.26717303 -2.63541218 -7.25801471
-0.00062010 0.00063949 -0.00062202
0.01217112 -0.02454702 -0.00971194
23.51582148 -0.90842120 -9.05982568
-0.00022193 0.00008991 0.00043429
0.01320520 -0.00505577 -0.00589644
11.80881776 -10.05754407 -9.55901820
0.00053155 -0.00072231 0.00030666
0.00062407 -0.00582896 0.02161189
13.01109028 -9.42089133 -12.05464713
0.00006980 -0.00001406 -0.00012913
-0.01635457 -0.00462021 -0.00091878
-7.37595001 -10.68895612 17.42348180
0.00053831 -0.00041580 -0.00028122
0.02857936 0.00204914 0.02818485
-10.28342538 -10.77526691 17.66347106
0.00027413 0.00141335 -0.00009097
0.01225353 0.00070205 -0.00241168
8.17344418 1.70072781 -29.36593336
0.00048218 -0.00116988 -0.00046495
-0.01926801 -0.00427970 0.01269920
5.34651577 0.69875038 -28.40390721
0.00033478 0.00041183 0.00052351
0.02052736 0.01200955 -0.00443841
14.09298562 19.33259497 13.64049343
-0.00045308 0.00024756 0.00055427
0.03491223 0.01069426 0.01115849
13.06840450 17.78967026 11.42599787
0.00041802 -0.00054743 -0.00086354
0.01499316 -0.01303754 -0.02106521
27.80129582 7.72134922 -11.60688044
-0.00045590 0.00017690 0.00042194
-0.00497581 0.00024501 0.00388709
26.01207408 7.62078218 -9.25848984
-0.00002884 -0.00001136 0.00030265
0.00985744 0.00247782 0.01637481
-7.86988796 4.71376922 6.12144375
0.00012305 0.00005862 0.00009262
-0.00142394 -0.00534535 0.00343419
-10.39176938 9.15869118 2.97889091
0.00023585 -0.00009166 0.00019193
0.01082780 -0.00297069 0.01165208
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.07473583
0.28483838
379.53285992
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0592296512
ExchangeOperator: pair fraction: ispin=0: 0.1468253110
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.4271325467 (a.u.)
total exchange computation time: 2.8138442039 s
-154.3171405536
-931.35794378
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0592296512
ExchangeOperator: pair fraction: ispin=0: 0.1468253110
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.4261874279 (a.u.)
total exchange computation time: 2.8124408722 s
-154.3256403361
Anderson extrapolation: theta=1.3451820952 (1.3451820952)
-931.35820377
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0592296512
ExchangeOperator: pair fraction: ispin=0: 0.1468253110
ExchangeOperator: bisection time: 1.422 s
total exchange = -52.4248187543 (a.u.)
total exchange computation time: 2.8116519451 s
-154.3374768142
Anderson extrapolation: theta=0.0526897408 (0.0526897408)
-931.35835862
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0592296512
ExchangeOperator: pair fraction: ispin=0: 0.1468253110
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.4246701232 (a.u.)
total exchange computation time: 2.8121440411 s
-154.3384880894
Anderson extrapolation: theta=1.9804417021 (1.9804417021)
-931.35836465
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0592296512
ExchangeOperator: pair fraction: ispin=0: 0.1468253110
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.4243535178 (a.u.)
total exchange computation time: 2.8115601540 s
-154.3405718040
Anderson extrapolation: theta=0.2339020104 (0.2339020104)
-931.35837119
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0592296512
ExchangeOperator: pair fraction: ispin=0: 0.1468253110
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.4242740285 (a.u.)
total exchange computation time: 2.8137521744 s
-154.3410417495
Anderson extrapolation: theta=1.8886631681 (1.8886631681)
-931.35837251
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0592296512
ExchangeOperator: pair fraction: ispin=0: 0.1468253110
ExchangeOperator: bisection time: 1.421 s
total exchange = -52.4241447762 (a.u.)
total exchange computation time: 2.8120179176 s
-154.3417532881
Anderson extrapolation: theta=0.2876633720 (0.2876633720)
-931.35837412
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0592296512
ExchangeOperator: pair fraction: ispin=0: 0.1468253110
ExchangeOperator: bisection time: 1.427 s
total exchange = -52.4241295135 (a.u.)
total exchange computation time: 2.8118498325 s
-154.3417823295
Anderson extrapolation: theta=1.2984577176 (1.2984577176)
-931.35837450
-24.380999 27.509623 -167.482327
562.089095 1074.466384 -405.677560
537.708096 1101.976006 -573.159887
1353.511497
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0592296512
ExchangeOperator: pair fraction: ispin=0: 0.1468253110
ExchangeOperator: bisection time: 1.427 s
total exchange = -52.4241269507 (a.u.)
total exchange computation time: 2.8107411861 s
679.68754186
-1085.66700234
89.71060326
-387.73705382
-174.92833677
79.27996936
551.60419304
0.00000000
-931.35837477
4.56985299 -30.91534455 -3.50396848
-0.00002350 -0.00016316 0.00001484
-0.00226085 0.00490611 0.00364682
-11.78506340 2.09763495 -9.34616823
0.00035894 0.00009164 0.00021714
-0.04390561 -0.00247748 -0.00966513
-36.21087487 1.36984621 3.11285617
-0.00005073 -0.00000781 0.00010024
-0.00532980 -0.02315274 0.02116815
-7.46673442 -3.49931481 2.61970977
0.00014335 0.00017951 0.00014704
0.00420438 -0.01564286 -0.01239146
2.25142145 0.10546372 9.00863440
-0.00004953 -0.00003712 0.00017281
0.02059868 -0.03802755 -0.03721493
-31.03252814 1.45710083 2.64174658
-0.00002286 0.00009651 -0.00019706
-0.01537619 0.01169632 0.00272365
16.92250931 13.19756273 -18.13752057
-0.00014887 -0.00021150 -0.00038386
-0.06772650 -0.01537021 -0.02650580
-3.42616190 5.14579666 5.52997244
-0.00005945 -0.00021795 -0.00006813
-0.01603336 -0.00163562 0.04239450
5.76896139 17.07708684 -6.98093131
-0.00027247 -0.00027190 -0.00022587
0.00053847 0.01729414 0.00406373
7.26001245 5.73960913 -20.95171946
-0.00008094 0.00013402 0.00030100
-0.01153157 -0.01655515 -0.00183597
18.61884492 19.64988861 -5.12427289
-0.00001027 -0.00004012 0.00000674
-0.01049124 -0.04371618 -0.03444165
1.95348414 13.96150484 -21.20920792
-0.00002708 0.00017228 -0.00010892
0.00778442 0.00552585 0.00890873
10.41098564 -5.29063059 0.41537066
0.00029781 0.00009112 0.00005958
0.02451613 -0.05098137 0.02375384
-18.09401662 -4.14777213 5.33919824
0.00057648 -0.00034640 -0.00000891
0.01509538 0.00462281 0.01582117
-14.27548651 -1.34910059 20.63574606
-0.00008239 0.00012663 -0.00000626
0.00607716 -0.01035747 -0.01426692
1.60027794 3.75393276 -4.00412855
-0.00001683 0.00009920 -0.00006965
-0.00702063 -0.00944232 0.02989074
21.25724266 -10.63177242 -4.48041533
0.00011405 0.00013263 0.00008285
-0.03955189 -0.01092476 0.02710326
3.04742024 -10.40496638 7.83500366
0.00001390 -0.00019342 -0.00027561
0.04338323 -0.00709068 -0.02345126
-1.88278109 -1.79908197 -19.60590964
-0.00007565 0.00004515 -0.00041126
-0.02322222 -0.00088588 0.00213630
-0.41979159 3.59983498 -10.46711168
-0.00035679 0.00026460 -0.00032135
0.00265858 0.02755482 0.04252216
-4.99052298 14.66804479 14.46853820
0.00002750 0.00010453 -0.00009108
0.00394498 0.01720901 0.01400253
-5.38356762 2.75067123 -7.25710915
0.00014034 0.00016384 0.00026671
-0.00705882 -0.02839763 0.00283874
-9.24049115 0.83893811 -4.05536752
-0.00007270 0.00018200 0.00017865
0.02011179 -0.02589540 -0.04030043
2.88842928 27.49190989 5.81791751
-0.00008613 0.00002988 -0.00012667
0.00644921 -0.01361017 0.03983969
9.94464028 -10.81555996 -1.51473121
-0.00022237 -0.00014057 0.00004011
0.03504035 0.01283284 -0.00004787
-6.77314550 1.02808310 9.27217029
0.00010898 0.00009231 0.00006405
-0.01176663 -0.01994505 -0.00961068
20.29567945 10.81276133 6.95426437
-0.00016851 -0.00002080 -0.00010541
-0.00210021 -0.00575446 -0.02528566
-3.09997952 1.09528003 -23.86606521
0.00003292 0.00001247 -0.00021585
0.07913235 -0.02392635 0.02016496
-13.67104123 8.79282156 8.63368754
0.00037698 -0.00011176 0.00032447
-0.01224349 -0.02060192 0.01437847
-13.55753439 6.05520806 -3.38485281
-0.00019028 -0.00011026 -0.00023972
0.01230285 -0.03842255 0.00983506
-2.37178788 -15.41818329 20.53689760
-0.00026000 -0.00014734 -0.00008769
-0.03150647 0.01175197 0.01241432
-6.00342777 7.71945360 -7.96898095
0.00001004 0.00035370 0.00030310
0.00356128 0.01101827 -0.01298732
-19.68987943 30.37727427 0.94916671
0.00018811 -0.00021891 -0.00018565
0.01645039 0.00639916 0.00735127
9.85554459 3.81500761 7.97256969
0.00006128 -0.00001509 0.00008142
-0.01960835 -0.00867873 -0.04635804
7.22375629 16.07656607 -11.62546578
0.00011998 0.00020852 0.00017180
0.00653545 -0.02508166 -0.00596371
13.65639625 5.01407480 -1.25144199
-0.00022935 -0.00042763 -0.00006382
0.03704758 -0.04052692 0.02441155
-6.08332165 11.51169272 -2.00482342
-0.00001147 0.00025245 0.00044988
0.03674514 0.02591347 -0.01907687
7.83230703 12.58748542 5.26085692
-0.00021564 -0.00013031 -0.00000215
-0.05416352 0.05323166 0.02722229
21.63976172 -11.96787293 -9.56950450
-0.00041865 0.00013776 0.00030142
0.04936899 0.02085039 -0.00461920
19.78782345 -5.91765632 -1.08836290
-0.00019351 0.00013571 0.00045828
0.02625169 0.01556529 0.01400807
14.81656500 8.02559043 8.81188245
0.00040902 -0.00002175 0.00022838
0.01689102 -0.01855035 0.02581490
3.82708446 -13.77624525 16.40434018
0.00015166 0.00011132 -0.00019089
-0.00899244 -0.00495438 -0.00295118
-2.58376526 -2.37223014 -13.66919796
-0.00003310 0.00030339 0.00014587
-0.00545119 -0.00575359 0.00927404
15.51321281 -7.38100899 -13.16522541
0.00002764 -0.00010186 -0.00002037
-0.02748357 0.01509057 -0.00013899
9.74928917 -3.73087790 6.68955975
0.00024947 -0.00019709 -0.00017718
0.03363219 -0.00624051 -0.01826894
-19.40210132 1.40449957 24.86723001
-0.00009365 -0.00005995 -0.00012968
0.00599118 0.01123491 0.00494764
24.22437547 -1.18097363 -7.41114318
-0.00027755 0.00020749 0.00002910
-0.02021111 0.03418232 0.02036845
11.62286045 -10.47480611 -11.30830831
-0.00002552 0.00014709 -0.00026981
0.01980423 0.02913326 -0.00799108
-8.86793977 -10.74477887 16.47041192
-0.00010163 0.00016065 -0.00019892
-0.05584830 -0.00072910 -0.04181911
6.91342155 1.59474514 -27.89860352
0.00023174 -0.00002253 -0.00005409
0.00620273 -0.00653499 -0.01646203
12.64771904 18.67564356 12.89580255
-0.00004250 -0.00023873 -0.00021217
-0.04570002 -0.00483849 0.00532462
26.02903290 7.55194247 -11.07273635
0.00004183 0.00003323 -0.00007506
0.00670729 -0.00555179 -0.01701405
5.17626176 -29.81946041 -4.86687625
-0.00024749 -0.00063279 -0.00017190
-0.00116180 0.00318499 0.00737438
4.11220499 -29.83092231 -2.06624675
-0.00063622 0.00011314 0.00016398
0.00246637 -0.01354963 -0.01049320
-10.11955085 2.19585292 -8.85436316
-0.00025899 0.00067876 0.00017365
0.04486981 0.00197617 0.01637096
-11.81383241 2.58523131 -11.11518230
0.00021504 -0.00022715 0.00004302
-0.00721705 0.00403059 -0.00474088
-36.85764113 3.08031037 2.70599418
0.00014693 0.00153038 0.00102362
-0.00344631 0.00161224 -0.00364695
-37.54957377 0.37578127 3.95349012
0.00061897 0.00050275 -0.00048531
0.00952364 0.01495658 -0.01540188
-8.60705000 -4.18784563 1.30012573
-0.00041329 0.00010364 -0.00033316
-0.00111688 0.00604463 0.01226204
-6.28248270 -4.88957913 2.84400352
-0.00030192 -0.00019282 -0.00019913
-0.00404201 0.00302958 0.00431340
2.89927146 -0.11362886 7.21345283
0.00026720 -0.00014708 0.00010343
-0.01844164 0.01015616 0.03967212
1.65060190 1.75900783 9.33678469
0.00027453 -0.00047365 -0.00016541
-0.00764730 0.01949633 -0.00268032
-30.03886672 -0.06158126 2.58780059
0.00074242 0.00103709 0.00068730
0.00334759 -0.01194221 0.00071883
-32.80711265 0.88904110 2.79044265
-0.00123074 -0.00000256 -0.00007173
0.01090724 0.00705398 0.00049040
15.58002353 11.79626485 -18.40463916
0.00073895 -0.00018454 -0.00018264
0.03325970 0.03864684 0.00680846
18.19913321 12.35753115 -17.22432531
-0.00009817 0.00073240 -0.00121661
0.03080937 -0.01889795 0.01982047
-3.00477418 6.77921328 6.25121368
0.00032157 0.00005934 -0.00014105
0.00169558 -0.00051564 -0.00226503
-3.01431059 5.20928584 3.83729254
0.00037502 -0.00022019 -0.00006583
0.01506477 0.00461298 -0.04443234
5.87165655 16.57714558 -8.74356518
0.00053162 0.00018973 0.00084636
0.00384613 -0.01013108 -0.01084603
7.18645037 18.24424934 -6.92412291
0.00056109 0.00069729 0.00075309
-0.00241467 -0.00540426 0.00750322
7.52944188 4.98981181 -22.69776075
0.00082538 -0.00025270 -0.00039447
0.00922367 0.03583449 0.02386325
8.58629373 6.92632556 -20.39774993
0.00029257 0.00023706 -0.00076126
-0.00127907 -0.00853155 -0.01505708
19.21071955 20.98818798 -4.08963048
0.00009413 -0.00031114 -0.00105275
0.01425572 0.03057248 0.00711247
19.41541926 19.54944640 -6.79462146
-0.00011452 0.00035296 -0.00017910
0.00002660 0.01068003 0.02417709
1.51244194 12.31606211 -20.52902820
-0.00026632 -0.00028490 -0.00022606
0.00140691 0.00452302 -0.00890971
0.48254795 14.71256800 -22.00012650
0.00093867 0.00110405 -0.00137167
-0.00846590 -0.00409628 0.00446132
10.28570982 -6.92069454 -0.46027882
-0.00105326 -0.00042075 0.00132832
0.00226656 0.00618059 0.00568836
9.72006998 -4.14807885 -0.71820138
-0.00066062 -0.00029792 0.00037175
-0.02767130 0.04125197 -0.03032506
-18.20038667 -5.17207753 6.86964735
0.00006937 -0.00092172 0.00018693
-0.00535649 -0.00063775 -0.01292014
-18.68970599 -5.09857404 3.91202026
-0.00020202 0.00014696 -0.00048738
-0.00697181 -0.00845305 -0.00071489
-14.32756973 -0.19898545 19.16469123
-0.00007072 -0.00045416 0.00109496
-0.00465454 0.00054854 0.01171271
-14.20819953 -0.45208261 22.22483206
-0.00057928 0.00050764 0.00023458
-0.00287440 0.01011913 -0.00154639
1.19459832 2.89365730 -2.39867182
-0.00024500 -0.00083337 -0.00101662
0.00254193 0.01656988 -0.00785030
2.04409267 2.26707672 -4.91340811
-0.00004193 0.00022254 -0.00099107
0.00392248 -0.00908162 -0.02173915
21.72243935 -10.58821350 -6.16790130
-0.00100658 -0.00002119 -0.00110039
0.00239630 0.00274221 -0.04463639
22.59824884 -9.90795877 -3.61494294
-0.00076086 -0.00078312 0.00016398
0.03303364 0.01716588 0.02314275
4.74133177 -10.40585999 6.89876516
-0.00006508 -0.00018476 0.00006802
-0.03747903 0.00226694 0.01957593
3.27759736 -11.81495868 9.01025049
0.00066645 0.00041881 -0.00010542
-0.00528822 0.00633424 0.00098007
-2.11242262 -3.19518975 -20.78111777
-0.00001654 0.00030863 0.00037219
0.00477818 -0.00807470 0.00155661
-3.44068183 -1.89274279 -18.58931962
-0.00003075 -0.00061220 0.00062692
0.01945827 0.00304567 -0.00547874
0.64778311 5.05308959 -9.89691303
0.00095279 -0.00008794 -0.00122149
-0.01190029 -0.02274124 -0.01930657
-1.49433768 3.43668345 -8.93514349
-0.00040344 -0.00088694 0.00143298
0.00892479 -0.00276559 -0.02235658
-3.72630278 15.47528125 15.59833629
0.00007976 0.00099999 0.00026177
-0.02626502 -0.01542349 -0.01333291
-6.68884434 14.98125134 15.18262376
-0.00040469 0.00044235 -0.00104368
0.02304703 -0.00374217 -0.00433876
-6.78709187 1.96364812 -6.28190631
0.00032724 0.00026016 0.00018814
0.01108104 0.00943665 0.00088941
-4.82935867 1.33462504 -8.29701039
0.00016998 0.00003546 -0.00022650
-0.00520282 0.01241341 0.00041892
-10.01215060 -0.74966707 -3.68409313
0.00029139 -0.00080770 -0.00079486
-0.00511566 0.00113416 0.00656158
-9.57329063 2.09389977 -2.85260481
-0.00031850 0.00083960 0.00036107
-0.00753902 0.02617149 0.02648197
3.15672474 29.00819699 4.88373382
0.00057694 -0.00011565 -0.00064350
0.00153294 0.01558402 -0.00146848
3.28067837 27.70447976 7.66495584
-0.00027644 -0.00065612 0.00114245
-0.00734768 0.00611183 -0.03579033
8.27948801 -10.76889898 -0.96652419
-0.00051675 -0.00089237 0.00009475
-0.04829466 0.00305496 -0.00144528
10.77343547 -11.08277228 0.15194959
-0.00020097 -0.00046157 0.00037001
0.00389628 -0.00817302 -0.01367987
-5.32847463 -0.03411526 8.73811192
-0.00141548 -0.00015175 -0.00006653
-0.00950405 0.00555384 0.00572426
-8.27066862 -0.08611995 9.10429930
0.00035028 -0.00014460 -0.00044894
0.02093288 0.01310191 0.00320033
20.36490476 11.02098651 8.72795986
0.00022018 -0.00038798 -0.00087034
0.00208908 -0.00140117 0.02371559
22.05837479 11.00382123 6.46017153
-0.00143261 -0.00087969 0.00122410
0.00284362 0.00235154 0.00548897
-2.85589051 -0.07800714 -22.41493387
0.00021106 -0.00167429 0.00024380
-0.00232782 0.01732358 -0.00554951
-4.77883410 1.25245126 -24.11755850
-0.00052725 0.00077579 -0.00002338
-0.07658751 0.00960280 -0.01015710
-12.55473909 9.81943470 9.70091959
0.00002236 0.00036059 -0.00089488
0.00207521 -0.00268694 -0.00045277
-13.48133452 9.53665586 7.01691671
0.00025119 -0.00030610 -0.00019894
-0.00211278 0.00846107 -0.01347780
-14.44115494 4.88623514 -4.47041618
-0.00115277 -0.00019556 0.00052004
-0.00293942 -0.00141636 -0.00905467
-13.81278215 7.70690052 -3.92930034
0.00079081 -0.00002383 -0.00094049
-0.01040410 0.03158415 -0.01209328
-4.21743530 -15.59820137 20.27927893
-0.00005399 -0.00010927 0.00042766
0.02466259 -0.00291568 0.00256802
-1.58240200 -16.69734122 19.55284073
-0.00049613 0.00003520 -0.00001211
-0.00048271 -0.00958648 -0.01153939
-5.41916163 6.03952720 -7.52823233
0.00092310 0.00013594 -0.00024773
-0.01620233 -0.00048416 0.00498743
-7.46396168 8.33020429 -7.00538202
-0.00012174 0.00031186 0.00028674
0.01120043 -0.00669920 -0.00091786
-20.96615649 29.16513907 0.66100756
0.00084904 -0.00037403 0.00111620
-0.02240716 -0.00786144 -0.00514144
-18.14997784 29.40758068 0.69219815
0.00008562 0.00023051 -0.00126821
0.00538220 0.00506575 0.00348266
9.30329573 2.71474035 6.46816090
-0.00037756 -0.00015818 -0.00023346
0.01028142 0.02606499 0.03419115
9.03981173 5.51875408 7.71999823
-0.00025611 0.00054383 -0.00050264
0.01459012 -0.02010152 0.01166449
7.88184687 17.59859905 -12.31713556
-0.00072492 0.00075276 -0.00009967
0.00825425 0.01289181 -0.00442729
8.50940695 14.83000295 -12.17035045
0.00003841 0.00003919 -0.00054052
-0.01669004 0.00934294 0.00914218
12.14458200 5.86630760 -1.08119937
-0.00052946 0.00038007 0.00018466
-0.03993892 0.03068117 -0.00585538
13.62662739 3.99043327 0.34788535
-0.00023997 -0.00043344 -0.00039672
0.00828212 0.00728960 -0.01862217
-4.27887462 11.03896061 -2.03968061
-0.00080468 -0.00095755 0.00029583
-0.01968650 -0.00778689 0.00983529
-7.18476449 10.84592866 -0.77507113
0.00048672 0.00028801 -0.00006475
0.00363901 -0.01840470 0.02127995
7.38389833 14.32881000 4.74268700
0.00035585 -0.00065954 0.00084998
0.00373421 -0.02146961 0.00841818
9.05459173 12.11047422 4.13814100
-0.00002723 0.00003303 0.00084552
0.04774723 -0.02256563 -0.04054930
20.51068046 -13.07638949 -8.81938365
-0.00044527 -0.00010014 0.00015738
-0.03863675 -0.02516855 0.01748339
23.28519437 -12.46155196 -8.81235547
-0.00069999 -0.00007974 -0.00123158
-0.01998415 0.00743823 -0.01515232
19.96709567 -4.90356572 -2.59368732
-0.00054192 -0.00039113 0.00040392
-0.00756944 0.00163473 -0.00872722
18.27624100 -6.84822422 -1.24065188
0.00019330 0.00040003 0.00016323
-0.02071854 -0.01551612 -0.00406749
13.96508561 9.60585208 8.84648683
0.00013592 0.00001339 0.00099632
-0.00688868 0.00367525 0.00320640
15.15206525 7.62156727 10.64471650
0.00029325 0.00003775 -0.00007577
-0.00316156 0.00989488 -0.02217021
2.96732078 -15.14370708 17.33457312
-0.00051517 0.00006613 0.00098498
0.00527350 0.01227432 -0.00332040
3.40090646 -12.16352922 17.20047584
-0.00111029 -0.00056706 0.00041377
0.00538660 -0.01129536 0.00228923
-2.63355874 -3.79419975 -12.52179318
0.00020459 -0.00010280 0.00049335
-0.00540960 0.00031712 -0.00571377
-0.95135966 -1.61736670 -13.32908611
0.00033084 -0.00117472 -0.00103894
0.00940983 0.00716100 -0.00608689
16.10978749 -7.57002284 -14.86044531
-0.00068852 0.00063296 -0.00015672
-0.00024045 -0.00334752 -0.02273222
16.66408924 -8.30808885 -12.20330786
0.00023712 -0.00000780 -0.00036986
0.02475909 -0.01316090 0.02619078
8.08060293 -3.71182018 6.10879172
0.00066635 0.00073735 -0.00108307
-0.04400369 0.00637641 -0.00416005
10.49078327 -4.34997309 5.10301205
-0.00014969 -0.00056518 0.00042634
0.01121669 0.00581347 0.01511555
-21.03700958 0.69361605 25.20475890
0.00128163 -0.00024282 0.00019321
-0.00461540 -0.00394386 0.00006889
-19.25122880 2.90193797 25.99928850
-0.00079981 -0.00008164 0.00067940
-0.00636028 -0.01201590 -0.00718487
25.25824443 -2.62657210 -7.26764263
-0.00056464 0.00053158 -0.00066014
0.01497762 -0.02827127 -0.00894649
23.51289718 -0.90722745 -9.05349196
-0.00017110 0.00007100 0.00040414
0.01167398 -0.00420326 -0.00886184
11.81681012 -10.06855736 -9.55375609
0.00053358 -0.00074765 0.00038751
0.00037014 -0.00657489 0.01796627
13.01163605 -9.42124375 -12.05661231
0.00000346 -0.00003199 -0.00013274
-0.01611928 -0.00415801 -0.00084763
-7.36699961 -10.69513039 17.42012715
0.00064662 -0.00040741 -0.00017121
0.02443755 0.00205817 0.02566716
-10.27893793 -10.75404511 17.66203258
0.00032141 0.00141549 -0.00009847
0.01088762 0.00034514 -0.00125944
8.18008639 1.68304844 -29.37251846
0.00040142 -0.00118574 -0.00040992
-0.02026512 -0.00348323 0.01423850
5.35216643 0.70529579 -28.39619058
0.00041355 0.00045764 0.00050378
0.01803378 0.01041392 -0.00522127
14.08725924 19.33663610 13.64914945
-0.00031405 0.00028927 0.00059707
0.03314389 0.00972154 0.00978876
13.07513422 17.78105927 11.41239929
0.00047669 -0.00059220 -0.00093567
0.01372862 -0.00887825 -0.01424370
27.79430487 7.72401027 -11.60043216
-0.00046817 0.00017836 0.00043512
-0.00102891 0.00046985 0.00256464
26.01194349 7.62068764 -9.25344833
0.00001101 -0.00000139 0.00036393
0.00965239 0.00240267 0.01362252
-7.86804597 4.71463416 6.12284223
0.00012253 0.00005671 0.00009383
-0.00150919 -0.00531242 0.00337050
-10.38821273 9.15731114 2.98179020
0.00023833 -0.00009235 0.00019462
0.01049898 -0.00302357 0.01149389
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.07474647
0.28362829
377.92048318
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0589389535
ExchangeOperator: pair fraction: ispin=0: 0.1457869118
ExchangeOperator: bisection time: 1.422 s
total exchange = -52.4245778175 (a.u.)
total exchange computation time: 2.7738671303 s
-154.3083151932
-931.35680317
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0589389535
ExchangeOperator: pair fraction: ispin=0: 0.1457869118
ExchangeOperator: bisection time: 1.422 s
total exchange = -52.4236585689 (a.u.)
total exchange computation time: 2.7744259834 s
-154.3166955127
Anderson extrapolation: theta=1.3579049924 (1.3579049924)
-931.35707289
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0589389535
ExchangeOperator: pair fraction: ispin=0: 0.1457869118
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.4223477063 (a.u.)
total exchange computation time: 2.7754809856 s
-154.3283126281
Anderson extrapolation: theta=0.0578830642 (0.0578830642)
-931.35723762
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0589389535
ExchangeOperator: pair fraction: ispin=0: 0.1457869118
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.4222262793 (a.u.)
total exchange computation time: 2.7752301693 s
-154.3292247403
Anderson extrapolation: theta=2.1505306694 (2.0000000000)
-931.35724547
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0589389535
ExchangeOperator: pair fraction: ispin=0: 0.1457869118
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.4219801833 (a.u.)
total exchange computation time: 2.7751760483 s
-154.3310355344
Anderson extrapolation: theta=0.3298260988 (0.3298260988)
-931.35725541
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0589389535
ExchangeOperator: pair fraction: ispin=0: 0.1457869118
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.4219119242 (a.u.)
total exchange computation time: 2.7743480206 s
-154.3315183399
Anderson extrapolation: theta=1.4237956382 (1.4237956382)
-931.35725805
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0589389535
ExchangeOperator: pair fraction: ispin=0: 0.1457869118
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.4218449575 (a.u.)
total exchange computation time: 2.7761650085 s
-154.3319744194
Anderson extrapolation: theta=0.4075657466 (0.4075657466)
-931.35726075
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0589389535
ExchangeOperator: pair fraction: ispin=0: 0.1457869118
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.4218474172 (a.u.)
total exchange computation time: 2.7769188881 s
-154.3319350162
Anderson extrapolation: theta=0.9770793641 (0.9770793641)
-931.35726164
19.975414 27.517884 -167.441429
562.041721 1074.461748 -405.714003
582.017136 1101.979633 -573.155432
1371.717976
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0589389535
ExchangeOperator: pair fraction: ispin=0: 0.1457869118
ExchangeOperator: bisection time: 1.422 s
total exchange = -52.4218718707 (a.u.)
total exchange computation time: 2.7747359276 s
679.65639526
-1085.60304149
89.71456608
-387.78015723
-174.92315294
79.24432467
551.60419304
0.00000000
-931.35726220
4.56949183 -30.91777307 -3.50373176
-0.00002497 -0.00016056 0.00001756
-0.00347687 0.00521114 0.00690011
-11.77984873 2.09899996 -9.34294842
0.00033513 0.00009025 0.00021158
-0.04865018 -0.00290777 -0.01194262
-36.21165637 1.36963971 3.11444138
-0.00005268 -0.00001719 0.00010995
-0.00225119 -0.01330217 0.01658484
-7.46456790 -3.49668254 2.62186751
0.00014483 0.00017109 0.00013992
0.00151892 -0.01707521 -0.01529896
2.25075798 0.10476019 9.01108297
-0.00003841 -0.00005780 0.00015326
0.02262979 -0.04236500 -0.03880030
-31.03293039 1.45859353 2.63880118
-0.00003282 0.00010286 -0.00019547
-0.02333653 0.01302245 0.00347383
16.92001499 13.19433098 -18.14338075
-0.00018421 -0.00021812 -0.00039814
-0.06970637 -0.01039169 -0.02900769
-3.42711556 5.14252110 5.52911407
-0.00006742 -0.00021819 -0.00004665
-0.01495473 0.00069656 0.04112325
5.76487642 17.07307505 -6.98430374
-0.00027046 -0.00026090 -0.00022162
0.00726894 0.02547564 0.01249549
7.25875381 5.74155552 -20.94721151
-0.00008634 0.00012506 0.00029895
-0.00946211 -0.01825875 -0.00616023
18.61865043 19.64911822 -5.12430470
-0.00001595 -0.00006372 -0.00001196
-0.01159184 -0.04806107 -0.03827991
1.95310794 13.96411034 -21.21080734
-0.00002320 0.00017473 -0.00010420
0.00732521 0.00400000 0.00945342
10.41554739 -5.28946046 0.41635603
0.00031038 0.00006514 0.00007186
0.02434104 -0.05005422 0.02397583
-18.08531120 -4.15295035 5.33912564
0.00058392 -0.00034489 -0.00000068
0.01383139 0.00128095 0.01618420
-14.27669891 -1.34724113 20.63559714
-0.00007924 0.00012049 -0.00001125
0.00616477 -0.01349444 -0.00513436
1.59999841 3.75538427 -4.00505801
-0.00002009 0.00009379 -0.00005531
-0.00566303 -0.01157211 0.02586194
21.25880081 -10.62982518 -4.47906797
0.00009222 0.00012597 0.00009349
-0.04533224 -0.01495752 0.01426648
3.04779606 -10.40789496 7.83077910
0.00003594 -0.00019678 -0.00028762
0.04231798 -0.00601227 -0.02326164
-1.88400536 -1.79840816 -19.61207027
-0.00008816 0.00004557 -0.00040878
-0.02544128 0.00252663 0.00749609
-0.42513326 3.60391031 -10.47176796
-0.00035650 0.00027836 -0.00029787
-0.00150341 0.02593222 0.04880454
-4.99009529 14.66967919 14.46722605
0.00003010 0.00011377 -0.00008341
0.00618014 0.01868970 0.01582084
-5.38148977 2.75301925 -7.25309756
0.00013730 0.00014893 0.00026751
-0.00476522 -0.02955714 0.00028794
-9.24150413 0.84156824 -4.05284327
-0.00006289 0.00016884 0.00015889
0.01805734 -0.02526750 -0.03652230
2.88716220 27.49230562 5.81617117
-0.00008259 0.00002317 -0.00010511
0.00733429 -0.01247620 0.04399594
9.94143991 -10.81761905 -1.51412977
-0.00020502 -0.00013399 0.00004081
0.03243763 0.01274954 0.00279651
-6.77155617 1.02939087 9.27309390
0.00010165 0.00008264 0.00005943
-0.01676137 -0.01767515 -0.00835614
20.29314372 10.81242715 6.95258564
-0.00017225 -0.00002421 -0.00011893
-0.01246509 -0.00750241 -0.02729341
-3.09918045 1.09537479 -23.86922515
0.00007182 -0.00000092 -0.00020444
0.07214886 -0.02815420 0.02419611
-13.66543374 8.79106570 8.63861002
0.00037013 -0.00012244 0.00033021
-0.01440794 -0.02094448 0.00795471
-13.56034110 6.05340597 -3.38841072
-0.00018416 -0.00012960 -0.00023473
0.01148039 -0.03680067 0.00957748
-2.37580939 -15.42034813 20.53563021
-0.00027592 -0.00014082 -0.00008090
-0.03042548 0.01362269 0.01397516
-6.00326349 7.72480163 -7.96448448
0.00001214 0.00035890 0.00029649
0.00460764 0.00919222 -0.01272406
-19.68699428 30.37401533 0.94641037
0.00019720 -0.00021467 -0.00018172
0.01888446 0.01009207 0.00791090
9.85638814 3.81474771 7.97361214
0.00005057 -0.00001896 0.00005700
-0.02202171 -0.00635430 -0.04860928
7.22558126 16.07959719 -11.62291174
0.00012371 0.00019587 0.00016838
0.00794293 -0.02411838 -0.00734091
13.65309894 5.00750395 -1.25230513
-0.00021209 -0.00044719 -0.00005161
0.03006399 -0.03553485 0.02307366
-6.08335189 11.51557942 -1.99814875
0.00000758 0.00026638 0.00043911
0.03731886 0.02825282 -0.02280779
7.82886351 12.58573607 5.26092964
-0.00024372 -0.00010419 0.00001278
-0.05503887 0.04836220 0.03084946
21.63367242 -11.96572603 -9.56500099
-0.00039484 0.00014857 0.00029865
0.04322284 0.02117803 -0.00616130
19.78502207 -5.91556065 -1.08143459
-0.00017942 0.00014393 0.00046577
0.02854280 0.01641565 0.01511391
14.82276548 8.02519264 8.81540773
0.00041737 -0.00003073 0.00024126
0.01558941 -0.01635495 0.02425876
3.82932467 -13.77459462 16.40146545
0.00014610 0.00010757 -0.00019125
-0.01263773 -0.00960091 0.00156536
-2.58428277 -2.36770141 -13.66697411
-0.00003666 0.00029913 0.00015115
-0.00837769 -0.01081924 0.01125595
15.51352143 -7.38247871 -13.16553153
0.00001330 -0.00009397 -0.00002022
-0.02830378 0.01560439 0.00071396
9.75316100 -3.73385837 6.68683162
0.00026624 -0.00020006 -0.00018582
0.03155597 -0.00529655 -0.01533788
-19.40348299 1.40364368 24.86530384
-0.00008860 -0.00005276 -0.00012705
0.01364411 0.01672284 0.00528328
24.22013421 -1.17772943 -7.41062804
-0.00028816 0.00022557 0.00004014
-0.02103593 0.03612277 0.02253977
11.62255400 -10.47248740 -11.31238624
-0.00001534 0.00016214 -0.00027283
0.01979595 0.02941286 -0.00377141
-8.86967964 -10.74237197 16.46726687
-0.00012857 0.00016038 -0.00021987
-0.04890396 -0.00029723 -0.03965603
6.91692163 1.59438192 -27.89947841
0.00023586 -0.00002551 -0.00006265
0.00978876 -0.00505555 -0.01682345
12.64690522 18.67204395 12.89264047
-0.00006487 -0.00024191 -0.00021072
-0.04126265 -0.00754129 0.00034087
26.02968628 7.55241957 -11.07392785
0.00004421 0.00003030 -0.00008253
0.00253963 -0.00586587 -0.01204547
5.17251379 -29.82885466 -4.86922885
-0.00025146 -0.00061759 -0.00014341
-0.00077850 0.00425656 0.00657492
4.10273734 -29.82964039 -2.06410856
-0.00062414 0.00005485 0.00011654
0.00344651 -0.01498524 -0.01272796
-10.12206082 2.20609491 -8.85125681
-0.00006617 0.00068793 0.00024364
0.04952012 0.00251195 0.01788953
-11.81082800 2.58194759 -11.11468221
0.00018553 -0.00021105 0.00002516
-0.00722900 0.00384765 -0.00400608
-36.85554282 3.10331546 2.72123675
0.00013729 0.00152556 0.00100969
-0.00127214 -0.00397275 -0.00317314
-37.53999739 0.38378083 3.94573857
0.00064714 0.00055583 -0.00054115
0.00426638 0.01102854 -0.01193256
-8.61328361 -4.18610579 1.29550406
-0.00041297 0.00013162 -0.00027720
0.00127414 0.00765321 0.01513168
-6.28713534 -4.89237859 2.84114877
-0.00031767 -0.00018102 -0.00018138
-0.00366583 0.00274841 0.00437471
2.90271442 -0.11552384 7.21621995
0.00019168 -0.00010568 0.00026653
-0.01852866 0.01010985 0.04016522
1.65448553 1.75250051 9.33422144
0.00023977 -0.00038554 -0.00017447
-0.00936779 0.02363266 -0.00175469
-30.02762782 -0.04639082 2.59813212
0.00075701 0.00098308 0.00068987
0.00379586 -0.01449628 0.00053735
-32.82523954 0.88921879 2.78938173
-0.00117156 0.00002892 -0.00007077
0.01806446 0.00835979 -0.00002058
15.59212699 11.79468106 -18.40717018
0.00086933 -0.00003143 -0.00015596
0.03056241 0.03630030 0.00625348
18.19860470 12.36793808 -17.24196715
0.00003681 0.00064996 -0.00112943
0.03526849 -0.02145905 0.02285670
-2.99989864 6.78008752 6.24902858
0.00032716 0.00005311 -0.00015163
0.00103814 -0.00253316 -0.00291782
-3.00822361 5.20612432 3.83494361
0.00043564 -0.00020201 -0.00024334
0.01460909 0.00428537 -0.04245996
5.87974866 16.57968108 -8.73120219
0.00054819 0.00014412 0.00078658
0.00426633 -0.01219407 -0.01841582
7.19479278 18.25454314 -6.91259658
0.00053636 0.00066294 0.00078229
-0.00969200 -0.01141174 0.00678925
7.54210515 4.98711939 -22.70294649
0.00085984 -0.00010370 -0.00028981
0.00764538 0.03710424 0.02736475
8.59064310 6.92962010 -20.40963025
0.00028678 0.00020264 -0.00082070
-0.00155326 -0.00831768 -0.01403910
19.21256827 20.98445770 -4.10520385
0.00015532 -0.00017812 -0.00101613
0.01569805 0.03454405 0.01081603
19.41370222 19.55506810 -6.79656712
-0.00011526 0.00039543 -0.00007999
-0.00038905 0.01010628 0.02433759
1.50849025 12.31192725 -20.53269215
-0.00026060 -0.00026005 -0.00026556
0.00139539 0.00763890 -0.01042562
0.49636853 14.72900329 -22.02056477
0.00090465 0.00108409 -0.00135115
-0.00818324 -0.00567409 0.00558127
10.26998030 -6.92681633 -0.44017965
-0.00104358 -0.00039583 0.00135019
0.00247545 0.00601761 0.00501743
9.70931272 -4.15128361 -0.71355444
-0.00077344 -0.00013082 0.00024855
-0.02755316 0.04054636 -0.02998218
-18.19951025 -5.18592281 6.87205545
0.00004817 -0.00092040 0.00012819
-0.00502173 0.00128364 -0.01583776
-18.69294988 -5.09662864 3.90468764
-0.00022835 0.00011535 -0.00048510
-0.00591661 -0.00702339 0.00182926
-14.32877320 -0.20578107 19.18147453
-0.00008981 -0.00044254 0.00112972
-0.00468790 0.00514119 0.00530435
-14.21697681 -0.44415799 22.22830336
-0.00059101 0.00054538 0.00022342
-0.00286588 0.00835842 -0.00391449
1.19100126 2.88166446 -2.41416173
-0.00023615 -0.00076736 -0.00104347
0.00178665 0.01574543 -0.00529148
2.04358396 2.27013647 -4.92894032
-0.00002741 0.00019147 -0.00107677
0.00318175 -0.00612376 -0.02021173
21.70741401 -10.58844733 -6.18577488
-0.00100001 -0.00000938 -0.00126366
0.00081994 0.00303716 -0.03528932
22.58784818 -9.91917960 -3.61177412
-0.00061095 -0.00070549 0.00026538
0.04034865 0.02083782 0.02649374
4.73920712 -10.40856185 6.90038539
-0.00021566 -0.00017485 0.00014550
-0.03623236 0.00258411 0.01835029
3.28743213 -11.80848242 9.00869917
0.00064439 0.00044192 -0.00009878
-0.00551242 0.00497782 0.00227225
-2.11252435 -3.19080778 -20.77548719
0.00000191 0.00026729 0.00037195
0.00425335 -0.01215832 -0.00167473
-3.44054678 -1.90183251 -18.58008375
0.00005436 -0.00059883 0.00060018
0.02220155 0.00350225 -0.00760989
0.66171036 5.05107360 -9.91582693
0.00090043 -0.00018229 -0.00129779
-0.01373027 -0.02344205 -0.01804294
-1.50011573 3.42329463 -8.91433393
-0.00035433 -0.00089313 0.00132654
0.01511441 -0.00026403 -0.02974319
-3.72591117 15.48980844 15.60185423
-0.00003283 0.00093376 0.00020303
-0.02885097 -0.01699386 -0.01541676
-6.69420843 14.98777197 15.16683560
-0.00030970 0.00042723 -0.00106071
0.02345090 -0.00365940 -0.00399727
-6.78184377 1.96783973 -6.27905696
0.00036989 0.00029718 0.00019346
0.00979622 0.00868150 0.00171618
-4.82696842 1.33553731 -8.30039509
0.00014652 0.00009028 -0.00022173
-0.00628048 0.01442074 0.00191565
-10.00793648 -0.76174784 -3.69581503
0.00027371 -0.00079404 -0.00076816
-0.00354080 0.00555234 0.00651222
-9.57829919 2.10729568 -2.84637728
-0.00034766 0.00093609 0.00046109
-0.00673509 0.02106354 0.02247952
3.16542581 29.00693975 4.87403639
0.00058316 -0.00005524 -0.00064568
0.00151232 0.01398834 0.00039788
3.27630662 27.69482524 7.68099584
-0.00030813 -0.00063020 0.00098388
-0.00816526 0.00657508 -0.04182812
8.27025691 -10.78219098 -0.96514730
-0.00070678 -0.00088038 0.00008653
-0.04472605 0.00281839 -0.00257617
10.77054038 -11.08994632 0.15708056
-0.00018667 -0.00049415 0.00031090
0.00310236 -0.00777235 -0.01525463
-5.34999806 -0.03622138 8.73728943
-0.00144132 -0.00013441 -0.00004663
-0.00314655 0.00293566 0.00401643
-8.26477293 -0.08788752 9.09766334
0.00043296 -0.00008996 -0.00043486
0.01953691 0.01364428 0.00369205
20.36827150 11.01512387 8.71563145
0.00022620 -0.00039239 -0.00075920
0.00085943 -0.00075917 0.03069112
22.03697281 10.99069799 6.47870122
-0.00139719 -0.00086781 0.00123604
0.01449433 0.00346066 0.00035576
-2.85279600 -0.10259061 -22.41144696
0.00019831 -0.00159243 0.00020939
-0.00391062 0.02274862 -0.01129519
-4.78908966 1.26438237 -24.11822043
-0.00082201 0.00081289 -0.00006123
-0.06770388 0.00855864 -0.00837117
-12.55434009 9.82476125 9.68748254
0.00003607 0.00035370 -0.00089006
0.00463516 -0.00068843 0.00281082
-13.47763136 9.53232369 7.01351954
0.00024115 -0.00027513 -0.00024799
-0.00280172 0.00669496 -0.01052855
-14.45853655 4.88325827 -4.46289302
-0.00116389 -0.00020083 0.00048286
-0.00250608 -0.00116235 -0.00914774
-13.80123874 7.70751092 -3.94377822
0.00074922 0.00010067 -0.00098866
-0.00995607 0.02936103 -0.01148876
-4.21748944 -15.59992973 20.28577252
0.00004252 -0.00012186 0.00043725
0.02257849 -0.00325091 0.00212805
-1.58985875 -16.69710703 19.55230547
-0.00049615 -0.00000704 -0.00006126
0.00047358 -0.01108940 -0.01252065
-5.40581160 6.04155149 -7.53179547
0.00085390 0.00013875 -0.00022762
-0.01767086 0.00185766 0.00485847
-7.46544454 8.33467690 -7.00110910
-0.00007528 0.00028298 0.00028291
0.01154184 -0.00743529 -0.00095538
-20.95410746 29.15928769 0.67759302
0.00075015 -0.00041292 0.00109402
-0.02600159 -0.01117694 -0.00571562
-18.14852857 29.41119352 0.67328168
0.00010970 0.00025042 -0.00125396
0.00640597 0.00467959 0.00349546
9.29794734 2.71316641 6.46570671
-0.00033382 -0.00005037 -0.00009098
0.01113173 0.02670763 0.03555501
9.03641720 5.52629563 7.71281609
-0.00019294 0.00045534 -0.00045276
0.01633152 -0.02321831 0.01275218
7.87122598 17.61028556 -12.31876626
-0.00069240 0.00079988 -0.00011613
0.00766734 0.01017163 -0.00363278
8.50947169 14.83087711 -12.17817813
-0.00003122 0.00008071 -0.00050234
-0.01739268 0.01098231 0.00954791
12.13541630 5.87294874 -1.07860887
-0.00067795 0.00049734 0.00015977
-0.03274794 0.02672532 -0.00632842
13.62328166 3.98415510 0.34136384
-0.00020641 -0.00040564 -0.00046880
0.00814667 0.00631484 -0.01665821
-4.29154810 11.02435877 -2.03494184
-0.00087828 -0.00098977 0.00033522
-0.01633802 -0.00798445 0.00944765
-7.17735212 10.84968487 -0.77539035
0.00049325 0.00020855 0.00002960
-0.00044521 -0.02049214 0.02490576
7.38935048 14.31825908 4.75569468
0.00036787 -0.00073555 0.00088075
0.00214905 -0.01573862 0.00664340
9.05564635 12.11027826 4.14958131
0.00017302 -0.00006076 0.00067601
0.05027569 -0.02334787 -0.04243085
20.50281750 -13.07866279 -8.81648716
-0.00059982 -0.00020056 0.00022673
-0.03701795 -0.02399050 0.01646239
23.27408207 -12.46252016 -8.83129343
-0.00077214 -0.00005233 -0.00128856
-0.01533198 0.00598107 -0.01274324
19.95873496 -4.90938252 -2.58789598
-0.00057121 -0.00038135 0.00036517
-0.00677124 0.00315004 -0.01024026
18.27850558 -6.84269923 -1.23832803
0.00010278 0.00033197 0.00014711
-0.02359201 -0.01779992 -0.00382446
13.96691328 9.60616556 8.86152988
0.00010890 0.00002574 0.00100857
-0.00633568 0.00237063 0.00279115
15.15636718 7.62243673 10.64290062
0.00028157 0.00007627 -0.00016227
-0.00255939 0.00896263 -0.02017521
2.95975477 -15.14233902 17.34924613
-0.00048733 0.00012236 0.00096337
0.00835506 0.01525269 -0.00726222
3.38441722 -12.17238127 17.20675254
-0.00108710 -0.00061026 0.00042135
0.00596483 -0.00985151 0.00142223
-2.63065564 -3.79573200 -12.51456807
0.00018221 -0.00009546 0.00046486
-0.00554496 0.00327455 -0.00822937
-0.94610872 -1.63476812 -13.34485669
0.00037522 -0.00114158 -0.00106243
0.01231534 0.00906316 -0.00541340
16.09945231 -7.56063095 -14.86349275
-0.00068827 0.00061866 -0.00025064
0.00036360 -0.00365337 -0.02324109
16.66840470 -8.30860921 -12.20805322
0.00033887 -0.00006188 -0.00026371
0.02504922 -0.01330967 0.02577000
8.08924971 -3.70056461 6.09241813
0.00048594 0.00076430 -0.00109915
-0.04430585 0.00681985 -0.00371049
10.48888167 -4.35827263 5.10987029
-0.00009888 -0.00054433 0.00048114
0.01365234 0.00439290 0.01171176
-21.01792654 0.68985286 25.20765911
0.00124603 -0.00026707 0.00019594
-0.01280925 -0.00792475 0.00126873
-19.26342080 2.90034523 26.00925929
-0.00082443 -0.00013335 0.00064694
-0.00569214 -0.01329899 -0.00870227
25.25023375 -2.61946465 -7.27781884
-0.00049900 0.00041040 -0.00069525
0.01715573 -0.03104756 -0.00823883
23.51068834 -0.90629130 -9.04770136
-0.00012660 0.00005563 0.00036195
0.01011310 -0.00331822 -0.01179371
11.82482516 -10.07997360 -9.54739290
0.00053450 -0.00077608 0.00045243
0.00008039 -0.00734015 0.01381442
13.01119394 -9.42185100 -12.05862943
-0.00006126 -0.00004753 -0.00013628
-0.01556113 -0.00345181 -0.00088387
-7.35655152 -10.70117851 17.41834553
0.00073560 -0.00039895 -0.00007292
0.01912107 0.00208377 0.02244464
-10.27378322 -10.73280215 17.66051691
0.00036263 0.00141627 -0.00010098
0.00929253 0.00003339 0.00003106
8.18548664 1.66515559 -29.37823094
0.00031726 -0.00119822 -0.00034923
-0.02092920 -0.00262625 0.01547052
5.35892232 0.71247943 -28.38879394
0.00048102 0.00049634 0.00048064
0.01499399 0.00853208 -0.00610235
14.08356413 19.34127302 13.65840540
-0.00018490 0.00032571 0.00063283
0.03007596 0.00811650 0.00771738
13.08270532 17.77190417 11.39792776
0.00052990 -0.00061967 -0.00097935
0.01231472 -0.00456756 -0.00713553
27.78725085 7.72670011 -11.59382671
-0.00046386 0.00018082 0.00044272
0.00313853 0.00073158 0.00115348
26.01240445 7.62074036 -9.24757194
0.00004994 0.00000827 0.00041315
0.00940415 0.00232607 0.01047314
-7.86621209 4.71547057 6.12425880
0.00012197 0.00005481 0.00009503
-0.00158846 -0.00528620 0.00330324
-10.38461953 9.15592058 2.98472951
0.00024074 -0.00009306 0.00019727
0.01024885 -0.00305906 0.01132812
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.07428345
0.28297875
377.05499730
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0589389535
ExchangeOperator: pair fraction: ispin=0: 0.1457869118
ExchangeOperator: bisection time: 1.422 s
total exchange = -52.4211900484 (a.u.)
total exchange computation time: 2.7751598358 s
-154.2906882482
-931.35684232
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0589389535
ExchangeOperator: pair fraction: ispin=0: 0.1457869118
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.4202170602 (a.u.)
total exchange computation time: 2.7756669521 s
-154.2990620850
Anderson extrapolation: theta=1.3529180650 (1.3529180650)
-931.35710874
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0589389535
ExchangeOperator: pair fraction: ispin=0: 0.1457869118
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.4187937903 (a.u.)
total exchange computation time: 2.7754068375 s
-154.3108057783
Anderson extrapolation: theta=0.0562305972 (0.0562305972)
-931.35726993
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0589389535
ExchangeOperator: pair fraction: ispin=0: 0.1457869118
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.4186293823 (a.u.)
total exchange computation time: 2.7767269611 s
-154.3118654351
Anderson extrapolation: theta=2.1288423228 (2.0000000000)
-931.35727715
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0589389535
ExchangeOperator: pair fraction: ispin=0: 0.1457869118
ExchangeOperator: bisection time: 1.421 s
total exchange = -52.4182731399 (a.u.)
total exchange computation time: 2.7754979134 s
-154.3140775689
Anderson extrapolation: theta=0.3132104092 (0.3132104092)
-931.35728590
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0589389535
ExchangeOperator: pair fraction: ispin=0: 0.1457869118
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.4181563181 (a.u.)
total exchange computation time: 2.7761881351 s
-154.3147384101
Anderson extrapolation: theta=1.4541973901 (1.4541973901)
-931.35728804
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0589389535
ExchangeOperator: pair fraction: ispin=0: 0.1457869118
ExchangeOperator: bisection time: 1.421 s
total exchange = -52.4180084218 (a.u.)
total exchange computation time: 2.7775449753 s
-154.3155095272
Anderson extrapolation: theta=0.3766044623 (0.3766044623)
-931.35729020
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0589389535
ExchangeOperator: pair fraction: ispin=0: 0.1457869118
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.4179778015 (a.u.)
total exchange computation time: 2.7765190601 s
-154.3156012953
Anderson extrapolation: theta=0.9951849611 (0.9951849611)
-931.35729087
19.957956 27.526479 -167.398983
561.994404 1074.460137 -405.752221
581.952360 1101.986616 -573.151204
1371.694337
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0589389535
ExchangeOperator: pair fraction: ispin=0: 0.1457869118
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.4179683217 (a.u.)
total exchange computation time: 2.7757921219 s
679.59371252
-1085.47391015
89.72120882
-387.86771865
-174.91261555
79.17350204
551.60419304
0.00000000
-931.35729132
4.56910385 -30.92016139 -3.50344179
-0.00002704 -0.00015790 0.00002184
-0.00457393 0.00515011 0.00976656
-11.77500938 2.10034254 -9.33982074
0.00030952 0.00008868 0.00020502
-0.05095206 -0.00321206 -0.01356426
-36.21245523 1.36933059 3.11615453
-0.00005283 -0.00002142 0.00011722
0.00165025 -0.00314857 0.01169177
-7.46238967 -3.49418200 2.62390723
0.00014497 0.00016204 0.00013140
-0.00095409 -0.01812264 -0.01779902
2.25026910 0.10372982 9.01323219
-0.00002646 -0.00008038 0.00013323
0.02385658 -0.04544525 -0.03909037
-31.03351266 1.46018670 2.63588258
-0.00004654 0.00010983 -0.00019352
-0.03003645 0.01407091 0.00407869
16.91698292 13.19101907 -18.14946472
-0.00021999 -0.00022218 -0.00041336
-0.06942359 -0.00537702 -0.03019603
-3.42818460 5.13925093 5.52857296
-0.00007470 -0.00021726 -0.00002638
-0.01334383 0.00292074 0.03770592
5.76084753 17.06925980 -6.98757977
-0.00026524 -0.00024589 -0.00021307
0.01304301 0.03288540 0.02072210
7.25742218 5.74336106 -20.94275108
-0.00009068 0.00011534 0.00029486
-0.00741251 -0.01954192 -0.00972142
18.61836651 19.64797706 -5.12463182
-0.00002219 -0.00008916 -0.00003226
-0.01268561 -0.05086719 -0.04065459
1.95278824 13.96674670 -21.21233383
-0.00001959 0.00017650 -0.00009927
0.00670270 0.00287864 0.00969319
10.42029693 -5.28867649 0.41752638
0.00032257 0.00004013 0.00008382
0.02307381 -0.04720523 0.02254412
-18.07649908 -4.15811869 5.33917790
0.00059067 -0.00034505 0.00000759
0.01240925 -0.00192487 0.01595300
-14.27786375 -1.34548579 20.63540862
-0.00007606 0.00011267 -0.00001141
0.00622279 -0.01692594 0.00450559
1.59967518 3.75674650 -4.00578795
-0.00002259 0.00008727 -0.00004324
-0.00406341 -0.01379518 0.02109264
21.26000925 -10.62799333 -4.47761055
0.00006784 0.00011747 0.00009751
-0.04946695 -0.01809798 0.00133853
3.04849836 -10.41086991 7.82637508
0.00005716 -0.00019957 -0.00029940
0.04020050 -0.00481637 -0.02254963
-1.88542590 -1.79771485 -19.61817308
-0.00010164 0.00004773 -0.00040367
-0.02698638 0.00588232 0.01239530
-0.43048652 3.60818570 -10.47604774
-0.00035822 0.00029113 -0.00027153
-0.00518218 0.02373826 0.05361627
-4.98961993 14.67145776 14.46603596
0.00003380 0.00012362 -0.00007500
0.00819488 0.01964754 0.01686245
-5.37944868 2.75513924 -7.24908374
0.00013547 0.00013361 0.00026703
-0.00234266 -0.03003327 -0.00216095
-9.24237779 0.84400345 -4.05060079
-0.00005419 0.00015624 0.00014127
0.01575154 -0.02375077 -0.03198662
2.88595170 27.49260510 5.81476424
-0.00007863 0.00001715 -0.00008182
0.00804228 -0.01093300 0.04657139
9.93848980 -10.81957978 -1.51350677
-0.00018948 -0.00012748 0.00004303
0.02798811 0.01259647 0.00583165
-6.77009615 1.03056228 9.27395305
0.00009182 0.00007433 0.00005551
-0.02144830 -0.01461916 -0.00685405
20.29051183 10.81203509 6.95069635
-0.00018147 -0.00002846 -0.00013322
-0.02338772 -0.00902975 -0.02825244
-3.09782478 1.09525235 -23.87219843
0.00010624 -0.00001617 -0.00019131
0.06167805 -0.03113235 0.02686341
-13.65993740 8.78914826 8.64359386
0.00036219 -0.00013326 0.00033258
-0.01645474 -0.02112807 0.00124143
-13.56305923 6.05131998 -3.39189473
-0.00017855 -0.00014775 -0.00023003
0.01035154 -0.03377311 0.00868360
-2.38006563 -15.42240787 20.53447063
-0.00029102 -0.00013345 -0.00007339
-0.02828169 0.01502648 0.01521753
-6.00306365 7.73022058 -7.96008617
0.00001483 0.00036315 0.00029000
0.00586989 0.00732991 -0.01254092
-19.68396345 30.37083425 0.94371506
0.00020734 -0.00020871 -0.00017758
0.02053038 0.01306547 0.00820634
9.85706180 3.81443879 7.97427958
0.00003879 -0.00002165 0.00003166
-0.02378536 -0.00411434 -0.04989867
7.22746750 16.08244225 -11.62041433
0.00012807 0.00018396 0.00016426
0.00902145 -0.02220608 -0.00869447
13.65003357 5.00065896 -1.25299027
-0.00019874 -0.00046387 -0.00004020
0.02183735 -0.02932469 0.02130630
-6.08309422 11.51968408 -1.99165004
0.00002663 0.00028143 0.00042664
0.03676936 0.03026798 -0.02570673
7.82499538 12.58435981 5.26124036
-0.00027154 -0.00008110 0.00002903
-0.05313256 0.04140343 0.03233810
21.62791656 -11.96341575 -9.56054501
-0.00037477 0.00015929 0.00029524
0.03483180 0.02049493 -0.00708906
19.78244089 -5.91333833 -1.07438969
-0.00016442 0.00015246 0.00047375
0.02978851 0.01675272 0.01590750
14.82908624 8.02466866 8.81912016
0.00042498 -0.00003846 0.00025317
0.01398733 -0.01373323 0.02208579
3.83146738 -13.77301806 16.39860280
0.00013876 0.00010157 -0.00018937
-0.01588821 -0.01375846 0.00573561
-2.58486491 -2.36325616 -13.66466343
-0.00004159 0.00029244 0.00015741
-0.01079351 -0.01521952 0.01309799
15.51361170 -7.38382805 -13.16583214
-0.00000114 -0.00008604 -0.00001961
-0.02781648 0.01522523 0.00168590
9.75727628 -3.73687970 6.68398516
0.00028143 -0.00020247 -0.00019299
0.02750988 -0.00406021 -0.01253962
-19.40475939 1.40291680 24.86341843
-0.00007969 -0.00004283 -0.00012432
0.02102627 0.02189789 0.00533887
24.21573066 -1.17420655 -7.40993901
-0.00029899 0.00024434 0.00005226
-0.02106674 0.03685608 0.02460553
11.62240026 -10.46994178 -11.31649328
-0.00000524 0.00017725 -0.00027356
0.01946062 0.02933724 0.00092692
-8.87179680 -10.73996735 16.46381589
-0.00015165 0.00016032 -0.00023958
-0.04086409 0.00003215 -0.03701248
6.92049723 1.59397970 -27.90048308
0.00024185 -0.00002769 -0.00007128
0.01350251 -0.00338588 -0.01672397
12.64577308 18.66838615 12.88948103
-0.00008463 -0.00024634 -0.00021167
-0.03558069 -0.00966322 -0.00402880
26.03035926 7.55285142 -11.07521228
0.00004442 0.00002720 -0.00008736
-0.00173265 -0.00619354 -0.00673233
5.16871810 -29.83798803 -4.87117849
-0.00025381 -0.00059797 -0.00011836
-0.00037365 0.00534830 0.00568659
4.09348091 -29.82927685 -2.06275041
-0.00060831 -0.00000858 0.00006097
0.00430240 -0.01606564 -0.01447861
-10.12153589 2.21649084 -8.84705409
0.00014060 0.00069908 0.00031820
0.05169620 0.00294453 0.01860796
-11.80826662 2.57889968 -11.11442765
0.00015617 -0.00019578 0.00001057
-0.00714072 0.00363141 -0.00313566
-36.85352247 3.12607707 2.73628485
0.00013620 0.00149847 0.00099730
0.00073993 -0.00928519 -0.00289318
-37.53015953 0.39245628 3.93725571
0.00065249 0.00059181 -0.00058195
-0.00164681 0.00658178 -0.00804303
-8.61943913 -4.18389692 1.29180976
-0.00040352 0.00016569 -0.00021032
0.00335235 0.00902338 0.01760389
-6.29201265 -4.89500962 2.83856214
-0.00033172 -0.00017056 -0.00016338
-0.00321196 0.00236808 0.00443711
2.90502182 -0.11679922 7.22144864
0.00011666 -0.00006481 0.00042944
-0.01819182 0.00989401 0.03958052
1.65779504 1.74744156 9.33155065
0.00019868 -0.00028260 -0.00018005
-0.01074479 0.02676072 -0.00097635
-30.01615628 -0.03208880 2.60849658
0.00077284 0.00091973 0.00069182
0.00394986 -0.01651481 0.00041748
-32.84225933 0.88990881 2.78831955
-0.00108506 0.00006513 -0.00007170
0.02427516 0.00936359 -0.00043519
15.60610351 11.79532196 -18.40931794
0.00098689 0.00011015 -0.00013186
0.02698493 0.03300341 0.00554343
18.20023765 12.37702988 -17.25820820
0.00018740 0.00055900 -0.00103184
0.03844207 -0.02306307 0.02491544
-2.99495947 6.78080651 6.24666466
0.00033012 0.00003898 -0.00016475
0.00041325 -0.00438154 -0.00350274
-3.00124130 5.20322542 3.82999247
0.00049332 -0.00018531 -0.00040867
0.01362396 0.00389343 -0.03847198
5.88810224 16.58146924 -8.71996784
0.00056678 0.00009034 0.00069646
0.00483350 -0.01413303 -0.02569747
7.20254120 18.26413756 -6.90065416
0.00048356 0.00060535 0.00080835
-0.01615282 -0.01678039 0.00596823
7.55523698 4.98670095 -22.70645514
0.00088784 0.00004942 -0.00017269
0.00606254 0.03784834 0.02997024
8.59489727 6.93240488 -20.42237096
0.00027996 0.00016935 -0.00087568
-0.00178585 -0.00798132 -0.01287533
19.21537907 20.98284448 -4.12011435
0.00022150 -0.00003028 -0.00096551
0.01669798 0.03782335 0.01396188
19.41196134 19.56130917 -6.79702122
-0.00011708 0.00043530 0.00001812
-0.00049822 0.00941058 0.02368660
1.50462408 12.30826056 -20.53699504
-0.00025496 -0.00022327 -0.00031084
0.00136104 0.01036741 -0.01173770
0.50968758 14.74509084 -22.04066099
0.00087218 0.00105757 -0.00132586
-0.00771107 -0.00730769 0.00680056
10.25440249 -6.93256933 -0.41977297
-0.00103310 -0.00037179 0.00136919
0.00265424 0.00574713 0.00427986
9.69686683 -4.15200343 -0.71074500
-0.00088358 0.00002995 0.00013019
-0.02636389 0.03815143 -0.02795445
-18.19894160 -5.19968942 6.87349291
0.00002836 -0.00091167 0.00005845
-0.00467300 0.00298915 -0.01830052
-18.69655638 -5.09511367 3.89746713
-0.00025011 0.00008978 -0.00047219
-0.00473660 -0.00549283 0.00449130
-14.33026397 -0.21226161 19.19858291
-0.00010905 -0.00041142 0.00113721
-0.00473142 0.01009403 -0.00163795
-14.22592973 -0.43572112 22.23153476
-0.00060263 0.00057582 0.00020273
-0.00282361 0.00654062 -0.00621613
1.18751370 2.87063659 -2.42997594
-0.00023053 -0.00070536 -0.00105931
0.00096545 0.01460371 -0.00246134
2.04327026 2.27282092 -4.94571122
-0.00001627 0.00017328 -0.00115538
0.00227309 -0.00278223 -0.01826814
21.69243892 -10.58849501 -6.20581121
-0.00099986 0.00000364 -0.00138661
-0.00074359 0.00333808 -0.02489594
22.57992033 -9.92912336 -3.60698160
-0.00043438 -0.00061470 0.00037834
0.04608204 0.02360167 0.02880109
4.73486192 -10.41110534 6.90313024
-0.00035912 -0.00016361 0.00021686
-0.03399277 0.00291787 0.01657853
3.29692907 -11.80170109 9.00728712
0.00062148 0.00045927 -0.00008673
-0.00570297 0.00351713 0.00362804
-2.11236541 -3.18717094 -20.76995925
0.00001822 0.00020949 0.00035872
0.00373378 -0.01613903 -0.00480143
-3.43905107 -1.91070760 -18.57131427
0.00014937 -0.00058361 0.00056546
0.02430935 0.00394624 -0.00938254
0.67479613 5.04762094 -9.93584661
0.00084161 -0.00027825 -0.00136840
-0.01506537 -0.02352957 -0.01652370
-1.50496747 3.40988964 -8.89534723
-0.00028196 -0.00088928 0.00119233
0.02030926 0.00214848 -0.03595688
-3.72728773 15.50329415 15.60442734
-0.00015439 0.00086194 0.00013696
-0.03065388 -0.01816476 -0.01692661
-6.69813531 14.99406833 15.15080246
-0.00021425 0.00041260 -0.00107602
0.02327295 -0.00350318 -0.00349727
-6.77599530 1.97256341 -6.27610243
0.00040678 0.00033065 0.00020258
0.00826614 0.00770531 0.00274536
-4.82496308 1.33733337 -8.30366239
0.00011905 0.00015220 -0.00021137
-0.00716751 0.01588892 0.00315807
-10.00393936 -0.77348833 -3.70713782
0.00026228 -0.00076264 -0.00074158
-0.00205173 0.00982128 0.00649954
-9.58372052 2.12198249 -2.83877207
-0.00037300 0.00101038 0.00054332
-0.00566702 0.01530084 0.01777308
3.17421957 29.00653980 4.86436335
0.00058902 -0.00000231 -0.00063981
0.00135332 0.01192305 0.00247525
3.27143446 27.68557368 7.69447236
-0.00034253 -0.00060217 0.00080332
-0.00867246 0.00714878 -0.04655950
8.25828472 -10.79531025 -0.96392829
-0.00087866 -0.00086927 0.00007276
-0.03941205 0.00261855 -0.00416363
10.76783542 -11.09759669 0.16127663
-0.00017556 -0.00052507 0.00024594
0.00233526 -0.00736576 -0.01654473
-5.37171433 -0.03814758 8.73671308
-0.00144048 -0.00012848 -0.00003407
0.00355727 -0.00003047 0.00212943
-8.25767988 -0.08881889 9.09125365
0.00050863 -0.00003396 -0.00041887
0.01750542 0.01376894 0.00413373
20.37169090 11.00921471 8.70518397
0.00022707 -0.00039445 -0.00062165
-0.00043581 -0.00024602 0.03663729
22.01645914 10.97778683 6.49725271
-0.00131283 -0.00085156 0.00122690
0.02679787 0.00449361 -0.00483157
-2.84994116 -0.12577990 -22.40865229
0.00017945 -0.00148986 0.00015351
-0.00532385 0.02745905 -0.01605822
-4.80349453 1.27683801 -24.11939540
-0.00107412 0.00084477 -0.00009098
-0.05570134 0.00704556 -0.00619041
-12.55365702 9.83004560 9.67421776
0.00006013 0.00035504 -0.00087216
0.00714292 0.00134476 0.00595370
-13.47409990 9.52840183 7.00947713
0.00022822 -0.00025167 -0.00028419
-0.00352767 0.00479264 -0.00719456
-14.47607175 4.88021016 -4.45593050
-0.00117296 -0.00020472 0.00044563
-0.00193344 -0.00074125 -0.00907304
-13.79030550 7.70992074 -3.95896020
0.00070980 0.00021311 -0.00103332
-0.00934217 0.02567485 -0.01037159
-4.21615984 -15.60185732 20.29239653
0.00012896 -0.00013592 0.00044493
0.01973570 -0.00362902 0.00162996
-1.59728647 -16.69755247 19.55100287
-0.00049275 -0.00005446 -0.00011370
0.00118868 -0.01212309 -0.01314600
-5.39354456 6.04368963 -7.53506084
0.00077890 0.00015083 -0.00020801
-0.01904559 0.00405470 0.00473854
-7.46622005 8.33869383 -6.99689473
-0.00002796 0.00025145 0.00027920
0.01162008 -0.00800106 -0.00086125
-20.94365197 29.15275132 0.69382819
0.00063848 -0.00046389 0.00107002
-0.02866206 -0.01377127 -0.00603466
-18.14668670 29.41509314 0.65457944
0.00013762 0.00026873 -0.00123970
0.00725852 0.00428504 0.00348532
9.29328117 2.71322927 6.46543155
-0.00028720 0.00005886 0.00005550
0.01169031 0.02676322 0.03614530
9.03402357 5.53241422 7.70641549
-0.00012338 0.00035552 -0.00039869
0.01771632 -0.02564250 0.01371315
7.86107499 17.62259545 -12.32061960
-0.00066255 0.00083497 -0.00012895
0.00694124 0.00700341 -0.00264015
8.50847050 14.83242434 -12.18542064
-0.00010279 0.00012802 -0.00046289
-0.01764131 0.01217324 0.00976093
12.12424361 5.88122778 -1.07640622
-0.00079449 0.00059668 0.00013271
-0.02430070 0.02190120 -0.00691696
13.62043521 3.97826395 0.33382141
-0.00017357 -0.00038235 -0.00053178
0.00792902 0.00508726 -0.01417064
-4.30522287 11.00926759 -2.02962405
-0.00093714 -0.00102309 0.00037285
-0.01247460 -0.00832872 0.00897543
-7.16996705 10.85218519 -0.77418320
0.00048422 0.00012143 0.00013723
-0.00397253 -0.02215465 0.02778227
7.39493434 14.30674359 4.76910951
0.00037310 -0.00078620 0.00090377
0.00041069 -0.00905548 0.00462542
9.05978218 12.10865140 4.15842120
0.00037844 -0.00015569 0.00050355
0.05028154 -0.02312156 -0.04198718
20.49268585 -13.08240638 -8.81258175
-0.00074498 -0.00029352 0.00029017
-0.03403922 -0.02151482 0.01459423
23.26203015 -12.46312180 -8.85101236
-0.00082367 -0.00003156 -0.00133522
-0.00988978 0.00418591 -0.01009434
19.94995926 -4.91500626 -2.58273222
-0.00059727 -0.00036572 0.00032077
-0.00598262 0.00450060 -0.01149348
18.27932429 -6.83826512 -1.23623857
0.00000264 0.00025586 0.00013221
-0.02542336 -0.01945550 -0.00346778
13.96835266 9.60662433 8.87674399
0.00008442 0.00003228 0.00101902
-0.00565029 0.00083107 0.00232328
15.16051225 7.62385547 10.63984827
0.00027258 0.00011062 -0.00023940
-0.00184197 0.00784973 -0.01757810
2.95270081 -15.14003618 17.36347407
-0.00044757 0.00018948 0.00092631
0.01110897 0.01760259 -0.01087524
3.36829354 -12.18183708 17.21311640
-0.00106167 -0.00064727 0.00042546
0.00648224 -0.00826572 0.00058694
-2.62809236 -3.79706357 -12.50784730
0.00015930 -0.00007660 0.00042664
-0.00566846 0.00595826 -0.01047909
-0.94010302 -1.65161409 -13.36095905
0.00043043 -0.00110141 -0.00108344
0.01471053 0.01059895 -0.00487131
16.08913941 -7.55146296 -14.86796456
-0.00068600 0.00060319 -0.00034497
0.00074690 -0.00391870 -0.02293553
16.67425533 -8.30994527 -12.21121924
0.00043963 -0.00011483 -0.00016121
0.02427428 -0.01261001 0.02440556
8.09518115 -3.68889108 6.07581714
0.00030818 0.00079284 -0.00111236
-0.04270918 0.00714843 -0.00275318
10.48781677 -4.36630295 5.11744631
-0.00003817 -0.00052965 0.00052135
0.01606891 0.00279255 0.00796995
-20.99962854 0.68560399 25.21063707
0.00117737 -0.00030770 0.00020364
-0.02080197 -0.01196618 0.00250243
-19.27596165 2.89793745 26.01869675
-0.00084618 -0.00018960 0.00060873
-0.00495521 -0.01423455 -0.01000188
25.24327449 -2.61425998 -7.28849998
-0.00042604 0.00028024 -0.00072759
0.01855969 -0.03266779 -0.00759635
23.50909928 -0.90555851 -9.04263355
-0.00008843 0.00004391 0.00030808
0.00856860 -0.00241754 -0.01457305
11.83284513 -10.09183969 -9.54018307
0.00053418 -0.00080756 0.00049972
-0.00023783 -0.00807127 0.00933387
13.00979814 -9.42266979 -12.06070072
-0.00012305 -0.00005971 -0.00014019
-0.01468184 -0.00250752 -0.00103067
-7.34493158 -10.70709893 17.41793946
0.00080115 -0.00039031 0.00001120
0.01296768 0.00214545 0.01873394
-10.26805900 -10.71155715 17.65900315
0.00039698 0.00141587 -0.00009801
0.00752011 -0.00022697 0.00142323
8.18960421 1.64710180 -29.38299529
0.00023109 -0.00120711 -0.00028416
-0.02125139 -0.00172399 0.01638162
5.36659713 0.72018597 -28.38177128
0.00053504 0.00052684 0.00045375
0.01144864 0.00639777 -0.00706227
14.08171226 19.34640736 13.66813431
-0.00007049 0.00035452 0.00065890
0.02592969 0.00598817 0.00504317
13.09103114 17.76246913 11.38301893
0.00057715 -0.00062961 -0.00099406
0.01081829 -0.00029961 -0.00006942
27.78038918 7.72943478 -11.58715057
-0.00044233 0.00018438 0.00044445
0.00739763 0.00101077 -0.00030566
26.01344175 7.62093563 -9.24105370
0.00008776 0.00001761 0.00044899
0.00910862 0.00224532 0.00706994
-7.86438673 4.71627861 6.12569310
0.00012139 0.00005293 0.00009620
-0.00166307 -0.00526230 0.00322679
-10.38099064 9.15451936 2.98770825
0.00024310 -0.00009377 0.00019988
0.01009404 -0.00305470 0.01116402
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.07428930
0.28300202
377.08600259
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0593023256
ExchangeOperator: pair fraction: ispin=0: 0.1476473770
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.4154703869 (a.u.)
total exchange computation time: 2.7620398998 s
-154.2694808157
-931.35783952
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0593023256
ExchangeOperator: pair fraction: ispin=0: 0.1476473770
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.4145418093 (a.u.)
total exchange computation time: 2.7603039742 s
-154.2774621157
Anderson extrapolation: theta=1.3489116318 (1.3489116318)
-931.35810064
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0593023256
ExchangeOperator: pair fraction: ispin=0: 0.1476473770
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.4131879427 (a.u.)
total exchange computation time: 2.7602751255 s
-154.2886653306
Anderson extrapolation: theta=0.0538442713 (0.0538442713)
-931.35825740
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0593023256
ExchangeOperator: pair fraction: ispin=0: 0.1476473770
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.4130337890 (a.u.)
total exchange computation time: 2.7615208626 s
-154.2896925786
Anderson extrapolation: theta=2.0456608404 (2.0000000000)
-931.35826389
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0593023256
ExchangeOperator: pair fraction: ispin=0: 0.1476473770
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.4126978171 (a.u.)
total exchange computation time: 2.7604370117 s
-154.2918592925
Anderson extrapolation: theta=0.2652496015 (0.2652496015)
-931.35827138
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0593023256
ExchangeOperator: pair fraction: ispin=0: 0.1476473770
ExchangeOperator: bisection time: 1.421 s
total exchange = -52.4126001522 (a.u.)
total exchange computation time: 2.7625429630 s
-154.2924309643
Anderson extrapolation: theta=1.7255696238 (1.7255696238)
-931.35827305
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0593023256
ExchangeOperator: pair fraction: ispin=0: 0.1476473770
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.4124511577 (a.u.)
total exchange computation time: 2.7603580952 s
-154.2932418734
Anderson extrapolation: theta=0.3196175970 (0.3196175970)
-931.35827499
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0593023256
ExchangeOperator: pair fraction: ispin=0: 0.1476473770
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.4124255138 (a.u.)
total exchange computation time: 2.7607090473 s
-154.2933188553
Anderson extrapolation: theta=1.1722056618 (1.1722056618)
-931.35827551
19.944826 27.536803 -167.354876
561.947800 1074.461221 -405.792348
581.892626 1101.998023 -573.147224
1371.676497
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0593023256
ExchangeOperator: pair fraction: ispin=0: 0.1476473770
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.4124138412 (a.u.)
total exchange computation time: 2.7637829781 s
679.50031616
-1085.28265679
89.73079703
-387.99728496
-174.89703350
79.06937631
551.60419304
0.00000000
-931.35827590
4.56868058 -30.92250997 -3.50307649
-0.00002964 -0.00015536 0.00002748
-0.00552877 0.00472985 0.01217435
-11.77056311 2.10166034 -9.33679770
0.00028339 0.00008699 0.00019782
-0.05064581 -0.00334432 -0.01443371
-36.21324136 1.36899718 3.11795789
-0.00005079 -0.00002043 0.00012193
0.00627930 0.00699836 0.00663496
-7.46021879 -3.49182127 2.62580964
0.00014391 0.00015254 0.00012172
-0.00315871 -0.01881076 -0.01986991
2.24996426 0.10234886 9.01507985
-0.00001410 -0.00010418 0.00011338
0.02421495 -0.04710392 -0.03808015
-31.03432666 1.46188842 2.63299545
-0.00006336 0.00011724 -0.00019131
-0.03535322 0.01476138 0.00454913
16.91341526 13.18766568 -18.15578165
-0.00025495 -0.00022365 -0.00042885
-0.06652190 -0.00036949 -0.03002767
-3.42935657 5.13600328 5.52832273
-0.00008104 -0.00021523 -0.00000833
-0.01129910 0.00497372 0.03247260
5.75691926 17.06569826 -6.99069594
-0.00025731 -0.00022732 -0.00020047
0.01778593 0.03932214 0.02828534
7.25603337 5.74501583 -20.93836565
-0.00009398 0.00010507 0.00028913
-0.00541592 -0.02042320 -0.01255943
18.61798472 19.64644347 -5.12527258
-0.00002889 -0.00011563 -0.00005335
-0.01337497 -0.05205354 -0.04134428
1.95252026 13.96940526 -21.21378554
-0.00001633 0.00017781 -0.00009430
0.00596987 0.00221488 0.00965218
10.42522447 -5.28825669 0.41887064
0.00033385 0.00001700 0.00009468
0.02080425 -0.04271450 0.01967179
-18.06759123 -4.16330187 5.33935323
0.00059665 -0.00034679 0.00001562
0.01087977 -0.00485579 0.01527559
-14.27898059 -1.34386102 20.63525486
-0.00007284 0.00010303 -0.00000658
0.00626387 -0.02056240 0.01428890
1.59932061 3.75800230 -4.00635517
-0.00002423 0.00007962 -0.00003376
-0.00228512 -0.01596393 0.01578332
21.26083606 -10.62630109 -4.47614280
0.00004183 0.00010764 0.00009512
-0.05167935 -0.02011032 -0.01063040
3.04951080 -10.41388203 7.82179710
0.00007702 -0.00020175 -0.00031072
0.03704371 -0.00365616 -0.02146721
-1.88705464 -1.79697616 -19.62418026
-0.00011576 0.00005156 -0.00039619
-0.02789408 0.00898260 0.01665818
-0.43587977 3.61264422 -10.47991388
-0.00036171 0.00030266 -0.00024309
-0.00841745 0.02110386 0.05698529
-4.98908135 14.67338792 14.46497595
0.00003848 0.00013385 -0.00006625
0.00999846 0.02009965 0.01716762
-5.37742566 2.75702753 -7.24508660
0.00013488 0.00011819 0.00026534
0.00006314 -0.02991341 -0.00443319
-9.24312994 0.84625542 -4.04860507
-0.00004669 0.00014459 0.00012609
0.01341098 -0.02156637 -0.02706346
2.88480325 27.49282023 5.81371659
-0.00007435 0.00001200 -0.00005757
0.00859318 -0.00910938 0.04772154
9.93575560 -10.82144333 -1.51283877
-0.00017660 -0.00012105 0.00004681
0.02209401 0.01237852 0.00887363
-6.76880159 1.03162091 9.27475932
0.00007970 0.00006777 0.00005242
-0.02568049 -0.01091218 -0.00517573
20.28769951 10.81157337 6.94858911
-0.00019631 -0.00003341 -0.00014768
-0.03430126 -0.01024104 -0.02799022
-3.09599328 1.09488973 -23.87496446
0.00013470 -0.00003266 -0.00017711
0.04898378 -0.03298322 0.02836056
-13.65456801 8.78706782 8.64858728
0.00035332 -0.00014417 0.00033149
-0.01805250 -0.02128200 -0.00548090
-13.56569750 6.04897343 -3.39531176
-0.00017357 -0.00016405 -0.00022594
0.00901503 -0.02962457 0.00722150
-2.38454005 -15.42435169 20.53342845
-0.00030476 -0.00012549 -0.00006534
-0.02512421 0.01593474 0.01610518
-6.00281853 7.73569607 -7.95578461
0.00001822 0.00036646 0.00028357
0.00730341 0.00554528 -0.01246493
-19.68077423 30.36775396 0.94108306
0.00021808 -0.00020146 -0.00017334
0.02126425 0.01514308 0.00828898
9.85755196 3.81409812 7.97456207
0.00002627 -0.00002322 0.00000590
-0.02490887 -0.00198350 -0.05027411
7.22942334 16.08511600 -11.61798399
0.00013288 0.00017323 0.00015946
0.00968694 -0.01951188 -0.00996658
13.64713667 4.99358774 -1.25351104
-0.00018978 -0.00047715 -0.00002980
0.01300224 -0.02231083 0.01911167
-6.08255289 11.52402224 -1.98534964
0.00004510 0.00029741 0.00041293
0.03503877 0.03187637 -0.02757908
7.82071734 12.58330298 5.26180056
-0.00029768 -0.00006208 0.00004553
-0.04853706 0.03255505 0.03181441
21.62242943 -11.96094736 -9.55614373
-0.00035949 0.00016945 0.00029150
0.02458452 0.01902307 -0.00748109
19.78008951 -5.91098678 -1.06722206
-0.00014907 0.00016104 0.00048202
0.02988617 0.01659978 0.01624886
14.83551490 8.02403875 8.82300298
0.00043172 -0.00004477 0.00026383
0.01220353 -0.01079091 0.01935521
3.83348753 -13.77154765 16.39578439
0.00012986 0.00009356 -0.00018545
-0.01871417 -0.01735577 0.00948574
-2.58553032 -2.35892832 -13.66225170
-0.00004759 0.00028368 0.00016457
-0.01255218 -0.01883633 0.01474660
15.51348738 -7.38505994 -13.16611974
-0.00001500 -0.00007852 -0.00001848
-0.02611729 0.01402735 0.00269640
9.76160379 -3.73993235 6.68104196
0.00029409 -0.00020416 -0.00019878
0.02175468 -0.00254342 -0.00999328
-19.40587359 1.40235885 24.86157421
-0.00006715 -0.00003037 -0.00012161
0.02770656 0.02654472 0.00518690
24.21116459 -1.17039934 -7.40906016
-0.00030961 0.00026315 0.00006539
-0.02025807 0.03629596 0.02645712
11.62239666 -10.46716984 -11.32059315
0.00000460 0.00019224 -0.00027180
0.01881790 0.02894081 0.00592925
-8.87422920 -10.73756249 16.46007936
-0.00017045 0.00016039 -0.00025788
-0.03223674 0.00024000 -0.03413391
6.92417700 1.59355136 -27.90161677
0.00024976 -0.00002896 -0.00007974
0.01727407 -0.00157758 -0.01619262
12.64436644 18.66465381 12.88629050
-0.00010125 -0.00025170 -0.00021466
-0.02906481 -0.01117192 -0.00762056
26.03101888 7.55323549 -11.07654864
0.00004245 0.00002394 -0.00008943
-0.00592451 -0.00647068 -0.00132521
5.16489952 -29.84679363 -4.87277963
-0.00025450 -0.00057390 -0.00009705
0.00003608 0.00643334 0.00474447
4.08448816 -29.82989792 -2.06227961
-0.00058927 -0.00007566 -0.00000073
0.00501607 -0.01676976 -0.01572262
-10.11784270 2.22706723 -8.84171095
0.00035085 0.00071168 0.00039391
0.05122199 0.00322280 0.01845719
-11.80614286 2.57607432 -11.11436525
0.00012738 -0.00018141 -0.00000027
-0.00695049 0.00339872 -0.00216776
-36.85145678 3.14826963 2.75115564
0.00014292 0.00145046 0.00098566
0.00254662 -0.01421937 -0.00280161
-37.52042261 0.40153510 3.92827993
0.00063261 0.00060877 -0.00060622
-0.00808603 0.00172208 -0.00383726
-8.62538920 -4.18113504 1.28919434
-0.00038626 0.00020484 -0.00013423
0.00509483 0.01014122 0.01964478
-6.29708681 -4.89749551 2.83624743
-0.00034378 -0.00016185 -0.00014513
-0.00269180 0.00189923 0.00449759
2.90621431 -0.11746823 7.22910308
0.00004390 -0.00002518 0.00058775
-0.01742529 0.00950898 0.03791626
1.66044604 1.74402266 9.32882002
0.00015281 -0.00016934 -0.00018281
-0.01171120 0.02867607 -0.00037831
-30.00444268 -0.01879892 2.61888662
0.00078855 0.00084939 0.00069338
0.00374141 -0.01791758 0.00034650
-32.85779139 0.89117270 2.78723069
-0.00097519 0.00010482 -0.00007413
0.02950631 0.01006398 -0.00075399
15.62173383 11.79798553 -18.41112597
0.00108796 0.00023613 -0.00011103
0.02248533 0.02866749 0.00465093
18.20422658 12.38470822 -17.27292228
0.00034771 0.00046368 -0.00092811
0.04003488 -0.02360060 0.02586134
-2.98999498 6.78125698 6.24408606
0.00033063 0.00001775 -0.00018007
-0.00016550 -0.00601008 -0.00399737
-2.99342403 5.20056514 3.82268353
0.00054600 -0.00017031 -0.00055425
0.01216517 0.00344801 -0.03279201
5.89675205 16.58239125 -8.71030839
0.00058791 0.00002909 0.00057800
0.00550981 -0.01584671 -0.03229155
7.20929968 18.27270357 -6.88834598
0.00040623 0.00052730 0.00083092
-0.02170301 -0.02142252 0.00508036
7.56874036 4.98860209 -22.70812704
0.00090939 0.00020453 -0.00004664
0.00448507 0.03807502 0.03173129
8.59904200 6.93470052 -20.43590076
0.00027227 0.00013765 -0.00092564
-0.00198179 -0.00753310 -0.01157735
19.21921322 20.98354932 -4.13416917
0.00029044 0.00012815 -0.00090402
0.01704867 0.03972969 0.01613817
19.41018993 19.56812699 -6.79602366
-0.00011873 0.00047214 0.00011204
-0.00031362 0.00862283 0.02229085
1.50084132 12.30522924 -20.54201729
-0.00024956 -0.00017619 -0.00036106
0.00128656 0.01267638 -0.01284739
0.52253405 14.76073052 -22.06034043
0.00084191 0.00102434 -0.00129544
-0.00710591 -0.00896134 0.00808578
10.23898735 -6.93797010 -0.39910400
-0.00102195 -0.00034905 0.00138507
0.00280083 0.00538456 0.00349249
9.68280521 -4.15038510 -0.70964879
-0.00098679 0.00017792 0.00002313
-0.02415696 0.03428198 -0.02444928
-18.19865933 -5.21327284 6.87380881
0.00001007 -0.00089650 -0.00002026
-0.00427987 0.00443307 -0.02022865
-18.70045317 -5.09393534 3.89052187
-0.00026697 0.00007045 -0.00044841
-0.00351707 -0.00396523 0.00714855
-14.33204471 -0.21812352 19.21559091
-0.00012849 -0.00035965 0.00111570
-0.00478629 0.01524526 -0.00889488
-14.23505570 -0.42688339 22.23438519
-0.00061400 0.00059882 0.00017296
-0.00274293 0.00472001 -0.00835422
1.18408530 2.86050373 -2.44594099
-0.00022836 -0.00064860 -0.00106317
0.00009979 0.01317893 0.00056919
2.04309586 2.27533486 -4.96360171
-0.00000907 0.00016921 -0.00122536
0.00125317 0.00078952 -0.01598710
21.67741825 -10.58833812 -6.22737333
-0.00100572 0.00001791 -0.00146633
-0.00212797 0.00364700 -0.01412468
22.57481668 -9.93762066 -3.60042397
-0.00023859 -0.00051492 0.00049795
0.04976190 0.02524283 0.02974974
4.72843343 -10.41347000 6.90689113
-0.00049151 -0.00015096 0.00027989
-0.03080938 0.00327103 0.01427845
3.30607649 -11.79470421 9.00609741
0.00059782 0.00047064 -0.00006911
-0.00587951 0.00204593 0.00499410
-2.11197764 -3.18452321 -20.76472557
0.00003249 0.00013596 0.00033320
0.00324741 -0.01985239 -0.00769289
-3.43606553 -1.91934084 -18.56311980
0.00025167 -0.00056664 0.00052431
0.02576603 0.00436174 -0.01076351
0.68695861 5.04272624 -9.95687896
0.00077837 -0.00037334 -0.00143236
-0.01589196 -0.02301918 -0.01478257
-1.50857454 3.39661632 -8.87856418
-0.00019029 -0.00087580 0.00103507
0.02456229 0.00444876 -0.04102034
-3.73054295 15.51566661 15.60596308
-0.00028171 0.00078624 0.00006594
-0.03167004 -0.01888958 -0.01783733
-6.70063588 15.00014999 15.13455499
-0.00012066 0.00039875 -0.00108900
0.02253743 -0.00327514 -0.00285774
-6.76964023 1.97775931 -6.27297965
0.00043708 0.00035987 0.00021609
0.00656122 0.00659872 0.00386787
-4.82339701 1.34010320 -8.30673614
0.00008829 0.00021924 -0.00019651
-0.00788754 0.01692770 0.00411648
-10.00006799 -0.78462690 -3.71806229
0.00025665 -0.00071439 -0.00071493
-0.00070401 0.01379622 0.00654140
-9.58948915 2.13760703 -2.83007762
-0.00039360 0.00106043 0.00060549
-0.00441660 0.00919940 0.01266054
3.18309627 29.00687057 4.85484200
0.00059396 0.00004143 -0.00062516
0.00106707 0.00948746 0.00469898
3.26603080 27.67676024 7.70509541
-0.00037842 -0.00057162 0.00060598
-0.00889807 0.00780162 -0.05003808
8.24389711 -10.80826905 -0.96296446
-0.00102606 -0.00085883 0.00005183
-0.03273945 0.00249070 -0.00608241
10.76527358 -11.10569848 0.16445874
-0.00016749 -0.00055434 0.00017632
0.00161440 -0.00696229 -0.01753279
-5.39321259 -0.04007565 8.73626724
-0.00141192 -0.00013515 -0.00002947
0.01042524 -0.00323632 0.00012468
-8.24951400 -0.08890641 9.08509730
0.00057476 0.00002170 -0.00040120
0.01486350 0.01347911 0.00451528
20.37508359 11.00329046 8.69698186
0.00022253 -0.00039472 -0.00046263
-0.00178859 0.00011214 0.04120556
21.99758780 10.96515107 6.51550809
-0.00117808 -0.00083137 0.00119697
0.03916703 0.00539242 -0.00981554
-2.84741259 -0.14728633 -22.40684176
0.00015516 -0.00136954 0.00008013
-0.00656294 0.03143887 -0.01986144
-4.82131312 1.28972544 -24.12094975
-0.00127310 0.00086968 -0.00011139
-0.04170303 0.00514753 -0.00380228
-12.55253619 9.83541237 9.66131786
0.00009442 0.00036466 -0.00084175
0.00964304 0.00336397 0.00892926
-13.47078465 9.52477369 7.00499378
0.00021235 -0.00023605 -0.00030641
-0.00424476 0.00284965 -0.00368066
-14.49372544 4.87711663 -4.44952403
-0.00117942 -0.00020658 0.00040903
-0.00122582 -0.00016707 -0.00884353
-13.77994480 7.71390408 -3.97477781
0.00067309 0.00030804 -0.00107250
-0.00862882 0.02079390 -0.00880762
-4.21362072 -15.60400732 20.29912043
0.00020232 -0.00015160 0.00045048
0.01617631 -0.00404561 0.00108513
-1.60464134 -16.69874088 19.54889460
-0.00048699 -0.00010503 -0.00016789
0.00163117 -0.01262963 -0.01338025
-5.38244474 6.04607626 -7.53803581
0.00069852 0.00017142 -0.00018886
-0.02029862 0.00602864 0.00463808
-7.46628341 8.34222041 -6.99273314
0.00001915 0.00021795 0.00027613
0.01144280 -0.00839572 -0.00064196
-20.93495307 29.14537096 0.70969352
0.00051818 -0.00052363 0.00104520
-0.03022686 -0.01546981 -0.00611182
-18.14439998 29.41925538 0.63609080
0.00016861 0.00028543 -0.00122551
0.00791122 0.00389045 0.00346007
9.28933145 2.71493235 6.46737160
-0.00023889 0.00016717 0.00020284
0.01195355 0.02625096 0.03597990
9.03271571 5.53696127 7.70085531
-0.00004885 0.00024717 -0.00034099
0.01876769 -0.02739412 0.01453181
7.85134940 17.63533455 -12.32263474
-0.00063585 0.00085649 -0.00013742
0.00613103 0.00353132 -0.00150830
8.50638813 14.83471762 -12.19206495
-0.00017443 0.00017923 -0.00042299
-0.01742980 0.01289824 0.00977226
12.11158161 5.89084906 -1.07462748
-0.00087517 0.00067519 0.00010315
-0.01519056 0.01653067 -0.00755503
13.61807469 3.97268458 0.32541052
-0.00014177 -0.00036455 -0.00058362
0.00763322 0.00362798 -0.01120736
-4.31966217 10.99366597 -2.02375619
-0.00097937 -0.00105811 0.00040839
-0.00820010 -0.00881147 0.00842114
-7.16282543 10.85332774 -0.77127337
0.00046231 0.00002863 0.00025469
-0.00675267 -0.02327186 0.02971316
7.40054337 14.29467312 4.78280781
0.00037097 -0.00080777 0.00091813
-0.00145044 -0.00150160 0.00240426
9.06699958 12.10560750 4.16468785
0.00057874 -0.00024767 0.00033745
0.04776538 -0.02190029 -0.03932092
20.48046807 -13.08746852 -8.80778191
-0.00087564 -0.00037415 0.00034458
-0.02991976 -0.01795091 0.01203907
23.24937211 -12.46346690 -8.87134994
-0.00085158 -0.00001875 -0.00137071
-0.00377429 0.00208261 -0.00727786
19.94081692 -4.92035418 -2.57827286
-0.00062019 -0.00034496 0.00027179
-0.00523639 0.00566231 -0.01248136
18.27858490 -6.83502337 -1.23436163
-0.00010259 0.00017444 0.00011902
-0.02609120 -0.02039970 -0.00299121
13.96944575 9.60713403 8.89210049
0.00006281 0.00003222 0.00102742
-0.00492446 -0.00086203 0.00178944
15.16454443 7.62575529 10.63571863
0.00026671 0.00014007 -0.00030472
-0.00103103 0.00656624 -0.01439529
2.94632768 -15.13665454 17.37703551
-0.00039729 0.00026488 0.00087527
0.01350273 0.01930590 -0.01411187
3.35256714 -12.19179947 17.21951623
-0.00103425 -0.00067757 0.00042621
0.00693966 -0.00656430 -0.00021844
-2.62587649 -3.79802998 -12.50176877
0.00013592 -0.00004750 0.00037991
-0.00578033 0.00828570 -0.01239937
-0.93319576 -1.66781049 -13.37735995
0.00049408 -0.00105580 -0.00110253
0.01644326 0.01172805 -0.00447185
16.07887229 -7.54253514 -14.87384199
-0.00068260 0.00058670 -0.00043640
0.00091810 -0.00415755 -0.02181643
16.68159364 -8.31205415 -12.21288954
0.00053518 -0.00016332 -0.00006604
0.02249895 -0.01112526 0.02218155
8.09849511 -3.67677944 6.05904742
0.00014031 0.00082237 -0.00112074
-0.03946308 0.00730527 -0.00135038
10.48773667 -4.37416212 5.12551078
0.00003224 -0.00052178 0.00054581
0.01839751 0.00106141 0.00400203
-20.98260540 0.68062177 25.21376840
0.00107734 -0.00036457 0.00021627
-0.02816603 -0.01587134 0.00367737
-19.28880619 2.89465729 26.02752123
-0.00086481 -0.00024895 0.00056569
-0.00416282 -0.01481790 -0.01106920
25.23745267 -2.61105740 -7.29964667
-0.00034909 0.00014604 -0.00075744
0.01910727 -0.03302541 -0.00701345
23.50803537 -0.90497389 -9.03845886
-0.00005641 0.00003584 0.00024342
0.00710748 -0.00153410 -0.01708022
11.84085052 -10.10420044 -9.53240121
0.00053253 -0.00084186 0.00052841
-0.00056817 -0.00871619 0.00470922
13.00750256 -9.42364226 -12.06283518
-0.00018061 -0.00006758 -0.00014494
-0.01349840 -0.00134522 -0.00129162
-7.33251690 -10.71288787 17.41868152
0.00084062 -0.00038131 0.00007962
0.00634896 0.00226140 0.01475787
-10.26187391 -10.69032606 17.65757661
0.00042386 0.00141453 -0.00008926
0.00564152 -0.00043050 0.00286180
8.19241937 1.62894234 -29.38675567
0.00014430 -0.00121225 -0.00021603
-0.02123249 -0.00079328 0.01696659
5.37497358 0.72828461 -28.37518145
0.00057371 0.00054821 0.00042282
0.00747873 0.00406148 -0.00807695
14.08144951 19.35190870 13.67817230
0.00002537 0.00037382 0.00067311
0.02099243 0.00345793 0.00191428
13.10001997 17.75301574 11.36810584
0.00061826 -0.00062256 -0.00098057
0.00930528 0.00375315 0.00667610
27.77398089 7.73223141 -11.58049315
-0.00040359 0.00018907 0.00044026
0.01156799 0.00128495 -0.00174734
26.01503729 7.62126851 -9.23410217
0.00012428 0.00002662 0.00047070
0.00876735 0.00216858 0.00355672
-7.86257030 4.71705839 6.12714473
0.00012078 0.00005105 0.00009734
-0.00174438 -0.00523080 0.00314968
-10.37732662 9.15310751 2.99072587
0.00024542 -0.00009448 0.00020245
0.00991657 -0.00307307 0.01098881
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.07461670
0.28365920
377.96166494
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0590116279
ExchangeOperator: pair fraction: ispin=0: 0.1466955111
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.4076457632 (a.u.)
total exchange computation time: 2.8347918987 s
-154.2427231632
-931.35900016
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0590116279
ExchangeOperator: pair fraction: ispin=0: 0.1466955111
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.4068150673 (a.u.)
total exchange computation time: 2.8335578442 s
-154.2499294470
Anderson extrapolation: theta=1.3517345550 (1.3517345550)
-931.35925558
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0590116279
ExchangeOperator: pair fraction: ispin=0: 0.1466955111
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.4056212830 (a.u.)
total exchange computation time: 2.8334050179 s
-154.2599858582
Anderson extrapolation: theta=0.0538873320 (0.0538873320)
-931.35940911
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0590116279
ExchangeOperator: pair fraction: ispin=0: 0.1466955111
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.4055021363 (a.u.)
total exchange computation time: 2.8336029053 s
-154.2608416655
Anderson extrapolation: theta=2.0203672432 (2.0000000000)
-931.35941536
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0590116279
ExchangeOperator: pair fraction: ispin=0: 0.1466955111
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.4052526344 (a.u.)
total exchange computation time: 2.8337290287 s
-154.2625903588
Anderson extrapolation: theta=0.2440839728 (0.2440839728)
-931.35942246
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0590116279
ExchangeOperator: pair fraction: ispin=0: 0.1466955111
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.4051944887 (a.u.)
total exchange computation time: 2.8335409164 s
-154.2629628489
Anderson extrapolation: theta=1.7713011759 (1.7713011759)
-931.35942397
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0590116279
ExchangeOperator: pair fraction: ispin=0: 0.1466955111
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.4051137308 (a.u.)
total exchange computation time: 2.8334889412 s
-154.2634364270
Anderson extrapolation: theta=0.2897863749 (0.2897863749)
-931.35942578
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0590116279
ExchangeOperator: pair fraction: ispin=0: 0.1466955111
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.4051120778 (a.u.)
total exchange computation time: 2.8363769054 s
-154.2633959143
Anderson extrapolation: theta=1.2327751907 (1.2327751907)
-931.35942625
19.939246 27.548310 -167.311401
561.902524 1074.464614 -405.834480
581.841770 1102.012924 -573.145881
1371.666334
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0590116279
ExchangeOperator: pair fraction: ispin=0: 0.1466955111
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.4051256550 (a.u.)
total exchange computation time: 2.7754411697 s
679.38352115
-1085.03894010
89.74186524
-388.16307114
-174.87767614
78.93532083
551.60419304
0.00000000
-931.35942664
4.56821465 -30.92482206 -3.50261726
-0.00003269 -0.00015312 0.00003423
-0.00631521 0.00397037 0.01407596
-11.76650756 2.10295234 -9.33388602
0.00025807 0.00008529 0.00019038
-0.04781977 -0.00327680 -0.01452484
-36.21397905 1.36871776 3.11981243
-0.00004624 -0.00001428 0.00012404
0.01143408 0.01689265 0.00157229
-7.45807229 -3.48960566 2.62755875
0.00014180 0.00014278 0.00011108
-0.00506857 -0.01915967 -0.02150115
2.24984623 0.10060451 9.01663374
-0.00000178 -0.00012844 0.00009439
0.02366306 -0.04724095 -0.03576656
-31.03541340 1.46370402 2.63014341
-0.00008254 0.00012491 -0.00018887
-0.03924987 0.01504512 0.00490437
16.90933441 13.18430944 -18.16233022
-0.00028772 -0.00022256 -0.00044389
-0.06091315 0.00462309 -0.02844679
-3.43061572 5.13279400 5.52832302
-0.00008624 -0.00021220 0.00000667
-0.00892563 0.00681154 0.02586288
5.75312820 17.06244007 -6.99359389
-0.00024720 -0.00020573 -0.00018426
0.02151643 0.04466014 0.03474438
7.25460277 5.74651304 -20.93407711
-0.00009627 0.00009444 0.00028212
-0.00349031 -0.02090528 -0.01472572
18.61749975 19.64450830 -5.12623230
-0.00003584 -0.00014229 -0.00007433
-0.01365612 -0.05161982 -0.04023912
1.95229833 13.97208092 -21.21516278
-0.00001346 0.00017889 -0.00008941
0.00520463 0.00199717 0.00935261
10.43031251 -5.28816642 0.42036666
0.00034375 -0.00000349 0.00010377
0.01767915 -0.03695497 0.01567757
-18.05859944 -4.16852252 5.33964641
0.00060184 -0.00034997 0.00002317
0.00929176 -0.00750694 0.01408262
-14.28004910 -1.34239488 20.63521133
-0.00006962 0.00009151 0.00000322
0.00628073 -0.02423090 0.02382386
1.59894841 3.75913495 -4.00680062
-0.00002492 0.00007088 -0.00002710
-0.00041366 -0.01798614 0.01011231
21.26126418 -10.62476401 -4.47475707
0.00001522 0.00009710 0.00008702
-0.05179195 -0.02088488 -0.02084729
3.05080901 -10.41692235 7.81705351
0.00009500 -0.00020335 -0.00032134
0.03288288 -0.00258844 -0.01983703
-1.88889857 -1.79616818 -19.63005893
-0.00013018 0.00005687 -0.00038673
-0.02820831 0.01168298 0.02013063
-0.44133795 3.61726556 -10.48334040
-0.00036679 0.00031274 -0.00021325
-0.01131922 0.01810407 0.05903338
-4.98846563 14.67547313 14.46404839
0.00004402 0.00014417 -0.00005753
0.01157710 0.02003285 0.01674787
-5.37540216 2.75868506 -7.24112366
0.00013553 0.00010299 0.00026253
0.00243377 -0.02920845 -0.00649196
-9.24377862 0.84834102 -4.04681814
-0.00004037 0.00013418 0.00011346
0.01116620 -0.01890357 -0.02205882
2.88372108 27.49296509 5.81303710
-0.00006983 0.00000784 -0.00003306
0.00899493 -0.00707957 0.04759799
9.93319185 -10.82321139 -1.51210232
-0.00016701 -0.00011476 0.00005212
0.01519069 0.01208554 0.01177334
-6.76770516 1.03259536 9.27552566
0.00006557 0.00006323 0.00005022
-0.02927290 -0.00672594 -0.00339451
20.28462256 10.81103264 6.94626593
-0.00021656 -0.00003890 -0.00016170
-0.04445691 -0.01107362 -0.02652944
-3.09378388 1.09427266 -23.87751170
0.00015635 -0.00004985 -0.00016239
0.03522132 -0.03387737 0.02886708
-13.64933789 8.78482319 8.65353841
0.00034364 -0.00015507 0.00032703
-0.01957132 -0.02111987 -0.01184992
-13.56826623 6.04639835 -3.39867307
-0.00016931 -0.00017802 -0.00022273
0.00755179 -0.02467666 0.00529861
-2.38920829 -15.42617257 20.53251051
-0.00031662 -0.00011719 -0.00005692
-0.02102652 0.01632289 0.01661739
-6.00251707 7.74121435 -7.95157921
0.00002238 0.00036889 0.00027714
0.00886844 0.00392158 -0.01252230
-19.67742096 30.36479050 0.93851501
0.00022896 -0.00019340 -0.00016910
0.02102395 0.01619887 0.00816282
9.85784996 3.81374216 7.97445671
0.00001333 -0.00002373 -0.00001982
-0.02541884 0.00002076 -0.04975981
7.23145391 16.08763922 -11.61563055
0.00013792 0.00016406 0.00015404
0.00991750 -0.01616980 -0.01110613
13.64434008 4.98634440 -1.25388437
-0.00018538 -0.00048671 -0.00002064
0.00410630 -0.01485704 0.01650444
-6.08174125 11.52860633 -1.97926201
0.00006238 0.00031409 0.00039857
0.03214766 0.03297651 -0.02829444
7.81606486 12.58249729 5.26260620
-0.00032087 -0.00004801 0.00006130
-0.04162105 0.02216283 0.02952043
21.61713195 -11.95833221 -9.55180015
-0.00034984 0.00017872 0.00028766
0.01294896 0.01700071 -0.00744904
19.77796870 -5.90850716 -1.05992908
-0.00013397 0.00016941 0.00049035
0.02883421 0.01594508 0.01614037
14.84203771 8.02332558 8.82703511
0.00043747 -0.00004950 0.00027296
0.01016517 -0.00761742 0.01613806
3.83536330 -13.77021113 16.39303916
0.00011962 0.00008386 -0.00017973
-0.02110968 -0.02037408 0.01279182
-2.58629257 -2.35474579 -13.65972620
-0.00005430 0.00027328 0.00017252
-0.01353156 -0.02159173 0.01616776
15.51316157 -7.38618361 -13.16638654
-0.00002773 -0.00007179 -0.00001685
-0.02336705 0.01214460 0.00365059
9.76609913 -3.74300462 6.67802167
0.00030346 -0.00020501 -0.00020335
0.01466482 -0.00076456 -0.00777872
-19.40677403 1.40200569 24.85977000
-0.00005148 -0.00001571 -0.00011901
0.03324724 0.03044748 0.00492737
24.20644223 -1.16631211 -7.40797720
-0.00031963 0.00028135 0.00007939
-0.01867875 0.03448909 0.02797123
11.62253823 -10.46417462 -11.32464729
0.00001404 0.00020694 -0.00026744
0.01788321 0.02821000 0.01102266
-8.87691031 -10.73515578 16.45607950
-0.00018477 0.00016053 -0.00027467
-0.02346509 0.00031994 -0.03115368
6.92799003 1.59311085 -27.90287539
0.00025960 -0.00002929 -0.00008783
0.02099731 0.00031270 -0.01526353
12.64273558 18.66083528 12.88304119
-0.00011441 -0.00025768 -0.00021929
-0.02209610 -0.01208258 -0.01039731
26.03163278 7.55356963 -11.07789523
0.00003840 0.00002055 -0.00008875
-0.00983887 -0.00671287 0.00399470
5.16108314 -29.85520496 -4.87408999
-0.00025354 -0.00054547 -0.00007963
0.00043469 0.00748345 0.00378414
4.07580283 -29.83154674 -2.06277238
-0.00056764 -0.00014482 -0.00006645
0.00557400 -0.01708097 -0.01644505
-10.11101031 2.23784113 -8.83523665
0.00055383 0.00072500 0.00046725
0.04813507 0.00329880 0.01744062
-11.80444508 2.57345726 -11.11443571
0.00009957 -0.00016803 -0.00000701
-0.00666489 0.00315369 -0.00113292
-36.84923501 3.16959073 2.76585473
0.00015655 0.00138317 0.00097406
0.00412633 -0.01871500 -0.00287760
-37.51118124 0.41071947 3.91906897
0.00058580 0.00060545 -0.00061299
-0.01482874 -0.00334904 0.00052424
-8.63102702 -4.17775164 1.28778287
-0.00036260 0.00024804 -0.00005072
0.00648913 0.01100236 0.02123551
-6.30232594 -4.89986500 2.83420837
-0.00035361 -0.00015519 -0.00012663
-0.00211952 0.00135838 0.00455492
2.90633888 -0.11755448 7.23908125
-0.00002483 0.00001255 0.00073702
-0.01621935 0.00895633 0.03515033
1.66237931 1.74236121 9.32606621
0.00010392 -0.00005102 -0.00018355
-0.01222239 0.02924594 0.00001972
-29.99249978 -0.00660713 2.62929790
0.00080256 0.00077468 0.00069471
0.00311881 -0.01865336 0.00030759
-32.87151511 0.89305337 2.78609563
-0.00084596 0.00014676 -0.00007767
0.03375585 0.01046875 -0.00098096
15.63874220 11.80240601 -18.41264897
0.00116871 0.00034214 -0.00009423
0.01704364 0.02322414 0.00357560
18.21066909 12.39094018 -17.28605141
0.00051095 0.00036843 -0.00082293
0.03986924 -0.02302465 0.02562355
-2.98504062 6.78133910 6.24126248
0.00032889 -0.00000960 -0.00019719
-0.00068644 -0.00737987 -0.00438012
-2.98486120 5.19811618 3.81336489
0.00059193 -0.00015721 -0.00067400
0.01031704 0.00296125 -0.02582640
5.90573953 16.58234207 -8.70262797
0.00061193 -0.00003848 0.00043484
0.00624821 -0.01722997 -0.03778658
7.21472807 18.27995668 -6.87572643
0.00030816 0.00043187 0.00084980
-0.02630044 -0.02529313 0.00416093
7.58251861 4.99283671 -22.70785425
0.00092452 0.00035951 0.00008497
0.00292319 0.03779036 0.03268915
8.60306528 6.93653448 -20.45014008
0.00026382 0.00010799 -0.00097003
-0.00215434 -0.00698506 -0.01015530
19.22409222 20.98668903 -4.14723495
0.00035931 0.00029126 -0.00083573
0.01666430 0.04011430 0.01729150
19.40839929 19.57547326 -6.79365998
-0.00011902 0.00050558 0.00019874
0.00017399 0.00774610 0.02014883
1.49713741 12.30297481 -20.54782691
-0.00024456 -0.00012065 -0.00041536
0.00115911 0.01451143 -0.01373293
0.53494503 14.77582100 -22.07952432
0.00081428 0.00098438 -0.00125971
-0.00642365 -0.01059871 0.00940412
10.22374386 -6.94304087 -0.37822099
-0.00101028 -0.00032794 0.00139766
0.00291497 0.00494994 0.00267471
9.66726309 -4.14666576 -0.71005097
-0.00107916 0.00030770 -0.00006721
-0.02105921 0.02924741 -0.01977562
-18.19863937 -5.22658457 6.87288496
-0.00000670 -0.00087596 -0.00010585
-0.00392922 0.00562315 -0.02166444
-18.70456550 -5.09300003 3.88401472
-0.00027866 0.00005743 -0.00041392
-0.00220560 -0.00240831 0.00973857
-14.33411879 -0.22305111 19.23205378
-0.00014818 -0.00028688 0.00106449
-0.00484884 0.02037517 -0.01617274
-14.24434978 -0.41775640 22.23672363
-0.00062496 0.00061449 0.00013496
-0.00262128 0.00294868 -0.01024919
1.18066302 2.85117855 -2.46187116
-0.00022977 -0.00059817 -0.00105442
-0.00079254 0.01150931 0.00371763
2.04299826 2.27789719 -4.98247199
-0.00000617 0.00017988 -0.00128551
0.00016472 0.00443416 -0.01345608
21.66226717 -10.58795772 -6.24980108
-0.00101665 0.00003344 -0.00150242
-0.00322155 0.00395446 -0.00353975
22.57276274 -9.94457092 -3.59204308
-0.00003262 -0.00041100 0.00061820
0.05106136 0.02562621 0.02911354
4.72011676 -10.41563420 6.91152709
-0.00060886 -0.00013689 0.00033246
-0.02663665 0.00361883 0.01145043
3.31486358 -11.78758195 9.00521377
0.00057350 0.00047606 -0.00004594
-0.00602448 0.00060792 0.00634835
-2.11139084 -3.18309215 -20.75996336
0.00004489 0.00004818 0.00029662
0.00282323 -0.02311571 -0.01021000
-3.43150090 -1.92770676 -18.55558499
0.00035857 -0.00054805 0.00047837
0.02656293 0.00473653 -0.01172514
0.69814712 5.03642079 -9.97881728
0.00071281 -0.00046517 -0.00148880
-0.01619996 -0.02193174 -0.01284936
-1.51067628 3.38361564 -8.86429511
-0.00008305 -0.00085322 0.00085942
0.02793396 0.00660607 -0.04496353
-3.73573911 15.52688140 15.60640563
-0.00041160 0.00070851 -0.00000758
-0.03191256 -0.01916121 -0.01815366
-6.70175522 15.00603093 15.11813238
-0.00003121 0.00038598 -0.00109912
0.02125302 -0.00297515 -0.00209400
-6.76288304 1.98335962 -6.26961983
0.00046009 0.00038431 0.00023438
0.00470697 0.00536532 0.00508779
-4.82231434 1.34391047 -8.30955761
0.00005495 0.00028955 -0.00017837
-0.00843287 0.01748962 0.00476085
-9.99623976 -0.79491997 -3.72858585
0.00025616 -0.00065073 -0.00068800
0.00046466 0.01736311 0.00664243
-9.59552847 2.15379537 -2.82060725
-0.00040887 0.00108544 0.00064650
-0.00305747 0.00304413 0.00741311
3.19203837 29.00778279 4.84560864
0.00059752 0.00007470 -0.00060124
0.00067626 0.00679471 0.00700703
3.26008181 27.66842494 7.71265183
-0.00041470 -0.00053829 0.00039690
-0.00886012 0.00851427 -0.05230823
8.22750302 -10.82107519 -0.96237339
-0.00114428 -0.00084872 0.00002267
-0.02513006 0.00245650 -0.00818979
10.76281068 -11.11422696 0.16656633
-0.00016224 -0.00058198 0.00010331
0.00095406 -0.00656728 -0.01820867
-5.41407193 -0.04220207 8.73582904
-0.00135541 -0.00015511 -0.00003313
0.01723752 -0.00653436 -0.00191579
-8.24043719 -0.08816784 9.07921767
0.00062891 0.00007534 -0.00038212
0.01164321 0.01277716 0.00482657
20.37836667 10.99737309 8.69130508
0.00021238 -0.00039389 -0.00028837
-0.00317819 0.00029544 0.04409582
21.98111687 10.95284579 6.53316192
-0.00099423 -0.00080790 0.00114763
0.05082847 0.00609728 -0.01433672
-2.84528624 -0.16686600 -22.40624847
0.00012618 -0.00123444 -0.00000700
-0.00762298 0.03469287 -0.02278605
-4.84168753 1.30292834 -24.12273714
-0.00141308 0.00088626 -0.00012200
-0.02681888 0.00297027 -0.00138906
-12.55082437 9.84098531 9.64896520
0.00013809 0.00038208 -0.00079998
0.01173406 0.00516443 0.01151799
-13.46772954 9.52132020 7.00028487
0.00019351 -0.00022838 -0.00031406
-0.00497775 0.00090650 -0.00006248
-14.51145425 4.87401286 -4.44365954
-0.00118272 -0.00020581 0.00037366
-0.00039352 0.00054126 -0.00847100
-13.77011293 7.71916180 -3.99113521
0.00063936 0.00038120 -0.00110455
-0.00788203 0.01502265 -0.00688126
-4.21009021 -15.60640527 20.30591083
0.00025980 -0.00016905 0.00045373
0.01196123 -0.00449824 0.00050761
-1.61189625 -16.70070331 19.54596630
-0.00048001 -0.00015654 -0.00022220
0.00178874 -0.01258651 -0.01320700
-5.37258895 6.04883237 -7.54072653
0.00061335 0.00019951 -0.00017005
-0.02139286 0.00772154 0.00456935
-7.46564548 8.34523244 -6.98861089
0.00006504 0.00018319 0.00027421
0.01102063 -0.00862292 -0.00029844
-20.92810665 29.13704252 0.72518427
0.00039393 -0.00058823 0.00102051
-0.03059468 -0.01615287 -0.00597752
-18.14162842 29.42365605 0.61781421
0.00020182 0.00030054 -0.00121143
0.00834320 0.00350473 0.00343310
9.28611432 2.71824425 6.47151672
-0.00019015 0.00027220 0.00034793
0.01190778 0.02516386 0.03504231
9.03255805 5.53982945 7.69618573
0.00002919 0.00013312 -0.00028026
0.01943216 -0.02843827 0.01519757
7.84199956 17.64829007 -12.32474232
-0.00061250 0.00086346 -0.00014110
0.00529726 -0.00011830 -0.00029202
8.50323757 14.83780139 -12.19811035
-0.00024431 0.00023244 -0.00038348
-0.01677419 0.01314757 0.00957046
12.09798864 5.90148344 -1.07331176
-0.00091834 0.00073124 0.00007100
-0.00594560 0.01090925 -0.00818088
13.61618199 3.96732756 0.31631277
-0.00011134 -0.00035313 -0.00062250
0.00726550 0.00196220 -0.00782618
-4.33460401 10.97752434 -2.01737223
-0.00100356 -0.00109535 0.00044151
-0.00364123 -0.00941722 0.00779083
-7.15609766 10.85304404 -0.76654254
0.00043086 -0.00006743 0.00037780
-0.00864148 -0.02374743 0.03054825
7.40606350 14.28251063 4.79665346
0.00036122 -0.00079725 0.00092315
-0.00332497 0.00664863 0.00005408
9.07714433 12.10122142 4.16854467
0.00076404 -0.00033282 0.00018620
0.04294195 -0.01978297 -0.03471804
20.46641663 -13.09363081 -8.80224425
-0.00098768 -0.00043854 0.00038754
-0.02492521 -0.01356811 0.00898756
23.23648276 -12.46368437 -8.89213356
-0.00085346 -0.00001508 -0.00139453
0.00285442 -0.00028670 -0.00438438
19.93135365 -4.92535508 -2.57457843
-0.00064017 -0.00031992 0.00021945
-0.00454408 0.00659733 -0.01314117
18.27624649 -6.83303184 -1.23266802
-0.00020809 0.00009069 0.00010804
-0.02554984 -0.02060005 -0.00238313
13.97023705 9.60759091 8.90756665
0.00004441 0.00002504 0.00103356
-0.00408386 -0.00265202 0.00121639
15.16851343 7.62805753 10.63070676
0.00026441 0.00016397 -0.00035596
-0.00009484 0.00513526 -0.01068669
2.94078208 -15.13208972 17.38973208
-0.00033801 0.00034591 0.00081184
0.01551376 0.02036009 -0.01693720
3.33726603 -12.20216415 17.22590267
-0.00100508 -0.00070074 0.00042372
0.00733989 -0.00477801 -0.00099803
-2.62401487 -3.79848859 -12.49645014
0.00011210 -0.00000974 0.00032608
-0.00587859 0.01020056 -0.01394729
-0.92528076 -1.68328813 -13.39403491
0.00056319 -0.00100644 -0.00112027
0.01738894 0.01243226 -0.00421178
16.06866143 -7.53386211 -14.88105648
-0.00067888 0.00056925 -0.00052167
0.00090145 -0.00438090 -0.01992670
16.69031082 -8.31484486 -12.21320041
0.00062168 -0.00020436 0.00001855
0.01984353 -0.00896269 0.01922369
8.09939052 -3.66422010 6.04219494
-0.00001106 0.00085212 -0.00112247
-0.03463528 0.00726087 0.00050390
10.48878409 -4.38195625 5.13382051
0.00011186 -0.00052111 0.00055390
0.02057457 -0.00073467 -0.00004100
-20.96730845 0.67466685 25.21712511
0.00094943 -0.00043665 0.00023335
-0.03444678 -0.01941320 0.00468573
-19.30190585 2.89046899 26.03566732
-0.00088011 -0.00030995 0.00051879
-0.00332843 -0.01504110 -0.01188796
25.23280187 -2.60987883 -7.31122318
-0.00027172 0.00001304 -0.00078498
0.01876588 -0.03208049 -0.00646789
23.50740705 -0.90448328 -9.03533096
-0.00003006 0.00003129 0.00016932
0.00578973 -0.00069180 -0.01919338
11.84882110 -10.11709537 -9.52433074
0.00052954 -0.00087854 0.00053827
-0.00089528 -0.00924081 0.00011458
13.00437970 -9.42469717 -12.06504879
-0.00023273 -0.00007026 -0.00015097
-0.01201190 0.00003546 -0.00166281
-7.31971312 -10.71853821 17.42032804
0.00085277 -0.00037169 0.00013164
-0.00039892 0.00244749 0.01070515
-10.25534306 -10.66912135 17.65632546
0.00044304 0.00141248 -0.00007467
0.00374611 -0.00057212 0.00427845
8.19393327 1.61073427 -29.38947623
0.00005829 -0.00121357 -0.00014620
-0.02087259 0.00014864 0.01721614
5.38380837 0.73663216 -28.36908663
0.00059549 0.00055974 0.00038770
0.00318362 0.00158542 -0.00911593
14.08247332 19.35762197 13.68832760
0.00010004 0.00038225 0.00067395
0.01556078 0.00066762 -0.00150524
13.10957908 17.74379236 11.35360191
0.00065325 -0.00059963 -0.00094059
0.00782191 0.00747044 0.01289265
27.76828155 7.73510678 -11.57394283
-0.00034826 0.00019489 0.00043024
0.01551666 0.00156443 -0.00315845
26.01717015 7.62173430 -9.22693266
0.00015931 0.00003533 0.00047806
0.00838189 0.00209410 0.00004746
-7.86076324 4.71781009 6.12861327
0.00012015 0.00004918 0.00009845
-0.00181090 -0.00520917 0.00306729
-10.37362806 9.15168497 2.99378174
0.00024770 -0.00009520 0.00020497
0.00971719 -0.00309384 0.01076353
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.07461549
0.28481115
379.49657308
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0590116279
ExchangeOperator: pair fraction: ispin=0: 0.1466955111
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3989781238 (a.u.)
total exchange computation time: 2.7748100758 s
-154.2081609397
-931.36049548
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0590116279
ExchangeOperator: pair fraction: ispin=0: 0.1466955111
ExchangeOperator: bisection time: 1.422 s
total exchange = -52.3982072329 (a.u.)
total exchange computation time: 2.7756109238 s
-154.2146960167
Anderson extrapolation: theta=1.3432053110 (1.3432053110)
-931.36073993
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0590116279
ExchangeOperator: pair fraction: ispin=0: 0.1466955111
ExchangeOperator: bisection time: 1.427 s
total exchange = -52.3970844322 (a.u.)
total exchange computation time: 2.7754490376 s
-154.2239067832
Anderson extrapolation: theta=0.0503621103 (0.0503621103)
-931.36088467
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0590116279
ExchangeOperator: pair fraction: ispin=0: 0.1466955111
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.3969573908 (a.u.)
total exchange computation time: 2.7735538483 s
-154.2247897234
Anderson extrapolation: theta=1.9095945874 (1.9095945874)
-931.36088986
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0590116279
ExchangeOperator: pair fraction: ispin=0: 0.1466955111
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.3966903845 (a.u.)
total exchange computation time: 2.7764539719 s
-154.2265964316
Anderson extrapolation: theta=0.2206793196 (0.2206793196)
-931.36089519
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0590116279
ExchangeOperator: pair fraction: ispin=0: 0.1466955111
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.3966224687 (a.u.)
total exchange computation time: 2.7743721008 s
-154.2270143024
Anderson extrapolation: theta=1.8937014373 (1.8937014373)
-931.36089622
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0590116279
ExchangeOperator: pair fraction: ispin=0: 0.1466955111
ExchangeOperator: bisection time: 1.422 s
total exchange = -52.3965098604 (a.u.)
total exchange computation time: 2.7741818428 s
-154.2276590399
Anderson extrapolation: theta=0.2835762526 (0.2835762526)
-931.36089752
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0590116279
ExchangeOperator: pair fraction: ispin=0: 0.1466955111
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3964956303 (a.u.)
total exchange computation time: 2.7749488354 s
-154.2276906758
Anderson extrapolation: theta=1.3029494563 (1.3029494563)
-931.36089785
19.941301 27.560673 -167.269810
561.859078 1074.469880 -405.878687
581.800379 1102.030553 -573.148497
1371.664033
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0590116279
ExchangeOperator: pair fraction: ispin=0: 0.1466955111
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.3964918147 (a.u.)
total exchange computation time: 2.7734220028 s
679.24533512
-1084.74929450
89.75443939
-388.36011633
-174.85477000
78.77598798
551.60419304
0.00000000
-931.36089813
4.56770001 -30.92710353 -3.50204944
-0.00003609 -0.00015135 0.00004182
-0.00690497 0.00289291 0.01542849
-11.76282092 2.10421906 -9.33108639
0.00023479 0.00008368 0.00018307
-0.04273477 -0.00298604 -0.01388788
-36.21462852 1.36856867 3.12167910
-0.00003896 -0.00000318 0.00012359
0.01685444 0.02627739 -0.00331439
-7.45596488 -3.48753786 2.62914200
0.00013878 0.00013292 0.00009972
-0.00666236 -0.01918597 -0.02268566
2.24991075 0.09849571 9.01791169
0.00001001 -0.00015237 0.00007694
0.02217973 -0.04582002 -0.03212650
-31.03680294 1.46563569 2.62732921
-0.00010336 0.00013261 -0.00018628
-0.04172036 0.01489555 0.00516635
16.90478363 13.18098886 -18.16909826
-0.00031690 -0.00021887 -0.00045777
-0.05255609 0.00973106 -0.02552294
-3.43194372 5.12963728 5.52852283
-0.00009016 -0.00020829 0.00001803
-0.00633323 0.00839208 0.01830692
5.74950313 17.05952642 -6.99622380
-0.00023542 -0.00018170 -0.00016512
0.02429619 0.04879131 0.03969933
7.25314524 5.74784898 -20.92990217
-0.00009759 0.00008367 0.00027415
-0.00163145 -0.02097205 -0.01625737
18.61690943 19.64217490 -5.12750245
-0.00004281 -0.00016830 -0.00009429
-0.01344871 -0.04954186 -0.03737843
1.95211656 13.97477197 -21.21646788
-0.00001097 0.00017998 -0.00008474
0.00447895 0.00222642 0.00882590
10.43553694 -5.28836124 0.42198363
0.00035187 -0.00002079 0.00011060
0.01389040 -0.03032707 0.01090805
-18.04953597 -4.17380108 5.34004823
0.00060622 -0.00035442 0.00003001
0.00772546 -0.00979536 0.01251040
-14.28106916 -1.34111568 20.63535159
-0.00006639 0.00007816 0.00001776
0.00626696 -0.02770367 0.03268742
1.59857301 3.76012884 -4.00716806
-0.00002464 0.00006118 -0.00002340
0.00149073 -0.01977066 0.00426194
21.26129274 -10.62338804 -4.47353216
-0.00001089 0.00008648 0.00007426
-0.04975864 -0.02040100 -0.02879276
3.05236091 -10.41998264 7.81215689
0.00011059 -0.00020444 -0.00033098
0.02771622 -0.00161870 -0.01765158
-1.89096012 -1.79527006 -19.63578229
-0.00014463 0.00006343 -0.00037573
-0.02795884 0.01382430 0.02267129
-0.44688346 3.62202656 -10.48631149
-0.00037329 0.00032120 -0.00018268
-0.01397683 0.01479305 0.05985002
-4.98776060 14.67771290 14.46325003
0.00005032 0.00015432 -0.00004921
0.01291803 0.01944061 0.01562292
-5.37335987 2.76011724 -7.23721081
0.00013736 0.00008829 0.00025873
0.00469658 -0.02795577 -0.00828063
-9.24434116 0.85028079 -4.04520139
-0.00003516 0.00012522 0.00010336
0.00911072 -0.01591947 -0.01720414
2.88270832 27.49305534 5.81272482
-0.00006514 0.00000474 -0.00000891
0.00924581 -0.00494664 0.04630189
9.93074530 -10.82488621 -1.51127504
-0.00016112 -0.00010864 0.00005885
0.00769896 0.01170888 0.01438772
-6.76683455 1.03351792 9.27626581
0.00004981 0.00006092 0.00004893
-0.03202503 -0.00226145 -0.00160327
20.28120265 10.81040649 6.94373808
-0.00024162 -0.00004469 -0.00017468
-0.05298645 -0.01147410 -0.02393195
-3.09130277 1.09339423 -23.87983624
0.00017090 -0.00006729 -0.00014761
0.02134511 -0.03395090 0.02862817
-13.64425875 8.78241564 8.65839813
0.00033325 -0.00016584 0.00031944
-0.02084169 -0.02075617 -0.01764948
-13.57077669 6.04363289 -3.40199351
-0.00016581 -0.00018931 -0.00022058
0.00603097 -0.01924058 0.00303558
-2.39403875 -15.42786753 20.53172077
-0.00032617 -0.00010883 -0.00004834
-0.01608447 0.01619524 0.01674179
-6.00214720 7.74676287 -7.94747042
0.00002736 0.00037055 0.00027065
0.01049933 0.00250875 -0.01271802
-19.67390550 30.36195201 0.93600993
0.00023946 -0.00018507 -0.00016498
0.01980770 0.01618533 0.00786634
9.85795186 3.81338635 7.97396746
0.00000030 -0.00002322 -0.00004504
-0.02524606 0.00193387 -0.04832496
7.23356099 16.09003769 -11.61336278
0.00014296 0.00015673 0.00014809
0.00967836 -0.01232153 -0.01201421
13.64157517 4.97898644 -1.25413037
-0.00018547 -0.00049240 -0.00001293
-0.00443242 -0.00726525 0.01350384
-6.08068160 11.53344481 -1.97339267
0.00007789 0.00033117 0.00038415
0.02816947 0.03347705 -0.02778364
7.81109129 12.58186258 5.26363957
-0.00034003 -0.00003956 0.00007553
-0.03288421 0.01069071 0.02582881
21.61193437 -11.95558590 -9.54751405
-0.00034639 0.00018686 0.00028392
0.00044479 0.01466452 -0.00708212
19.77607033 -5.90590453 -1.05251158
-0.00011970 0.00017732 0.00049849
0.02667728 0.01483160 0.01552691
14.84863894 8.02255364 8.83119175
0.00044216 -0.00005257 0.00028032
0.00806686 -0.00431795 0.01247784
3.83707621 -13.76903179 16.39039262
0.00010826 0.00007276 -0.00017241
-0.02306753 -0.02278957 0.01565287
-2.58715921 -2.35072984 -13.65707598
-0.00006129 0.00026170 0.00018114
-0.01365702 -0.02344959 0.01731975
15.51265549 -7.38721358 -13.16662518
-0.00003882 -0.00006616 -0.00001476
-0.01977862 0.00972841 0.00447487
9.77070760 -3.74608279 6.67494136
0.00030894 -0.00020490 -0.00020688
0.00663449 0.00122731 -0.00594837
-19.40741799 1.40188742 24.85800380
-0.00003335 0.00000070 -0.00011655
0.03724290 0.03336877 0.00466124
24.20157578 -1.16195882 -7.40667845
-0.00032865 0.00029832 0.00009404
-0.01641657 0.03150989 0.02900352
11.62281776 -10.46096177 -11.32861639
0.00002293 0.00022115 -0.00026048
0.01669712 0.02708510 0.01603337
-8.87977243 -10.73274659 16.45183931
-0.00019464 0.00016068 -0.00028994
-0.01491190 0.00025461 -0.02821934
6.93196505 1.59267275 -27.90425175
0.00027131 -0.00002864 -0.00009535
0.02454988 0.00221941 -0.01396450
12.64093425 18.65692354 12.87971166
-0.00012394 -0.00026399 -0.00022515
-0.01499300 -0.01245639 -0.01238066
26.03217079 7.55385199 -11.07921100
0.00003244 0.00001705 -0.00008538
-0.01333484 -0.00691726 0.00908442
5.15729341 -29.86315765 -4.87516844
-0.00025100 -0.00051287 -0.00006609
0.00080725 0.00847102 0.00284457
4.06745911 -29.83424239 -2.06427301
-0.00054406 -0.00021442 -0.00013403
0.00596551 -0.01699135 -0.01663846
-10.10122790 2.24881721 -8.82769347
0.00073942 0.00073818 0.00053482
0.04271450 0.00315267 0.01563327
-11.80315576 2.57103347 -11.11457561
0.00007311 -0.00015564 -0.00000946
-0.00628765 0.00291083 -0.00006686
-36.84676036 3.18976487 2.78037746
0.00017615 0.00129847 0.00096186
0.00547004 -0.02274621 -0.00309268
-37.50284867 0.41969858 3.90989014
0.00051136 0.00058139 -0.00060200
-0.02160922 -0.00842646 0.00485746
-8.63626715 -4.17369395 1.28767284
-0.00033396 0.00029423 0.00003836
0.00753086 0.01160772 0.02236919
-6.30769497 -4.90215125 2.83244846
-0.00036102 -0.00015086 -0.00010791
-0.00151114 0.00076237 0.00460740
2.90546942 -0.11709183 7.25121366
-0.00008772 0.00004767 0.00087270
-0.01456365 0.00823888 0.03126636
1.66356352 1.74249213 9.32331361
0.00005389 0.00006680 -0.00018306
-0.01226753 0.02842659 0.00021677
-29.98036573 0.00444147 2.63972804
0.00081313 0.00069835 0.00069592
0.00205494 -0.01870987 0.00028172
-32.88317007 0.89557562 2.78490045
-0.00070130 0.00018979 -0.00008197
0.03705270 0.01059414 -0.00112226
15.65679510 11.80824981 -18.41395282
0.00122528 0.00042354 -0.00008218
0.01064996 0.01662100 0.00232169
18.21955503 12.39576104 -17.29761017
0.00066986 0.00027768 -0.00072105
0.03791964 -0.02139885 0.02424934
-2.98012834 6.78096895 6.23817047
0.00032515 -0.00004198 -0.00021561
-0.00114177 -0.00846744 -0.00464049
-2.97566607 5.19584870 3.80246345
0.00062973 -0.00014617 -0.00076361
0.00818313 0.00244631 -0.01803735
5.91510994 16.58123694 -8.69726334
0.00063896 -0.00011082 0.00027224
0.00698247 -0.01818432 -0.04180306
7.21854460 18.28565966 -6.86285188
0.00019327 0.00032222 0.00086493
-0.02994244 -0.02838112 0.00324560
7.59647601 4.99938735 -22.70557806
0.00093333 0.00051231 0.00021892
0.00139077 0.03700789 0.03288417
8.60695652 6.93794035 -20.46500179
0.00025470 0.00008076 -0.00100839
-0.00231054 -0.00634818 -0.00862060
19.22999251 20.99228720 -4.15924100
0.00042505 0.00045267 -0.00076486
0.01551564 0.03889646 0.01739733
19.40661932 19.58329426 -6.79006145
-0.00011675 0.00053527 0.00027533
0.00093901 0.00678967 0.01734086
1.49350453 12.30160973 -20.55447817
-0.00024021 -0.00005864 -0.00047281
0.00097111 0.01584420 -0.01438668
0.54696232 14.79026192 -22.09813187
0.00078948 0.00093784 -0.00121860
-0.00571494 -0.01218181 0.01072207
10.20867902 -6.94780828 -0.35717406
-0.00099820 -0.00030870 0.00140690
0.00299651 0.00446684 0.00184750
9.65043034 -4.14115396 -0.71166513
-0.00115746 0.00041530 -0.00013684
-0.01726683 0.02342284 -0.01430813
-18.19886021 -5.23955168 6.87063339
-0.00002204 -0.00085116 -0.00019618
-0.00358194 0.00651528 -0.02255387
-18.70881301 -5.09221231 3.87810441
-0.00028498 0.00005065 -0.00036916
-0.00088830 -0.00091195 0.01216808
-14.33649003 -0.22672998 19.24752548
-0.00016811 -0.00019376 0.00098423
-0.00491069 0.02520632 -0.02311236
-14.25380450 -0.40844869 22.23843393
-0.00063534 0.00062311 0.00008984
-0.00245914 0.00126849 -0.01183480
1.17719217 2.84255874 -2.47757349
-0.00023484 -0.00055495 -0.00103275
-0.00168824 0.00964664 0.00689049
2.04291076 2.28073127 -5.00216694
-0.00000777 0.00020530 -0.00133498
-0.00094777 0.00800776 -0.01076154
21.64691866 -10.58733496 -6.27244578
-0.00103134 0.00005020 -0.00149653
-0.00396661 0.00425105 0.00642206
22.57383816 -9.94995065 -3.58187795
0.00017360 -0.00030810 0.00073246
0.04988280 0.02474470 0.02681716
4.71016762 -10.41757661 6.91686481
-0.00070715 -0.00012138 0.00037240
-0.02147855 0.00397181 0.00810043
3.32328145 -11.78042242 9.00471920
0.00054861 0.00047578 -0.00001736
-0.00615691 -0.00074346 0.00764371
-2.11063102 -3.18307776 -20.75582688
0.00005573 -0.00005165 0.00025079
0.00248670 -0.02575479 -0.01222573
-3.42530832 -1.93578240 -18.54876877
0.00046739 -0.00052804 0.00042939
0.02670578 0.00505778 -0.01224778
0.70834280 5.02877122 -10.00154309
0.00064704 -0.00055145 -0.00153703
-0.01599407 -0.02030583 -0.01075954
-1.51106605 3.37101983 -8.85278169
0.00003631 -0.00082216 0.00066983
0.03049385 0.00859791 -0.04784050
-3.74289106 15.53692187 15.60573562
-0.00054093 0.00063062 -0.00008118
-0.03139413 -0.01896545 -0.01787378
-6.70157204 15.01172954 15.10158143
0.00005194 0.00037458 -0.00110591
0.01944694 -0.00260602 -0.00122888
-6.75583739 1.98928876 -6.26594819
0.00047535 0.00040354 0.00025776
0.00276267 0.00404642 0.00635691
-4.82174849 1.34878961 -8.31208730
0.00001974 0.00036119 -0.00015828
-0.00880195 0.01757940 0.00507535
-9.99238306 -0.80414891 -3.73870232
0.00026003 -0.00057351 -0.00066053
0.00142529 0.02043626 0.00680444
-9.60175516 2.17017027 -2.81068255
-0.00041850 0.00108569 0.00066627
-0.00165927 -0.00292164 0.00226151
3.20102191 29.00911143 4.83680471
0.00059931 0.00009667 -0.00056788
0.00020052 0.00396123 0.00932466
3.25358981 27.66061144 7.71700247
-0.00045034 -0.00050198 0.00018092
-0.00858519 0.00926151 -0.05341719
8.20956881 -10.83373079 -0.96228424
-0.00123037 -0.00083854 -0.00001520
-0.01701444 0.00252723 -0.01034735
10.76040625 -11.12315793 0.16755798
-0.00015955 -0.00060804 0.00002817
0.00036568 -0.00618800 -0.01856946
-5.43387484 -0.04472895 8.73527344
-0.00127171 -0.00018835 -0.00004499
0.02373512 -0.00973612 -0.00388964
-8.23064681 -0.08664622 9.07363384
0.00066883 0.00012531 -0.00036192
0.00789795 0.01168152 0.00506024
20.38145497 10.99147383 8.68833076
0.00019652 -0.00039267 -0.00010611
-0.00458692 0.00030229 0.04512392
21.96776101 10.94091419 6.54993710
-0.00076600 -0.00078203 0.00108127
0.06089206 0.00656339 -0.01814812
-2.84362707 -0.18431946 -22.40705165
0.00009323 -0.00108747 -0.00010444
-0.00851026 0.03725096 -0.02491237
-4.86370557 1.31631329 -24.12460965
-0.00149240 0.00089362 -0.00012298
-0.01200807 0.00063128 0.00090914
-12.54839341 9.84687475 9.63731843
0.00018955 0.00040631 -0.00074847
0.01345593 0.00669431 0.01369844
-13.46497949 9.51792226 6.99557212
0.00017173 -0.00022846 -0.00030716
-0.00568145 -0.00094630 0.00344005
-14.52920719 4.87094225 -4.43831421
-0.00118240 -0.00020193 0.00034006
0.00055247 0.00136013 -0.00797700
-13.76076413 7.72534020 -4.00791433
0.00060865 0.00042970 -0.00112821
-0.00714866 0.00871568 -0.00470187
-4.20582664 -15.60907889 20.31273235
0.00029891 -0.00018842 0.00045459
0.00718116 -0.00498346 -0.00008631
-1.61904153 -16.70343713 19.54222860
-0.00047295 -0.00020677 -0.00027498
0.00166588 -0.01199935 -0.01263158
-5.36404425 6.05206170 -7.54313721
0.00052408 0.00023384 -0.00015144
-0.02230367 0.00908315 0.00453990
-7.46433214 8.34771601 -6.98450694
0.00010873 0.00014781 0.00027392
0.01036631 -0.00869238 0.00015885
-20.92313527 29.12772412 0.74030869
0.00027065 -0.00065346 0.00099669
-0.02974766 -0.01577760 -0.00567917
-18.13834553 29.42827151 0.59974803
0.00023630 0.00031410 -0.00119743
0.00853946 0.00313503 0.00341604
9.28362698 2.72309835 6.47780945
-0.00014224 0.00037161 0.00048758
0.01154410 0.02350020 0.03331768
9.03359131 5.54095475 7.69244756
0.00010920 0.00001621 -0.00021713
0.01973289 -0.02878897 0.01570340
7.83297437 17.66123834 -12.32686780
-0.00059251 0.00085546 -0.00013976
0.00448837 -0.00379740 0.00094918
8.49905897 14.84169091 -12.20356922
-0.00031060 0.00028570 -0.00034522
-0.01567975 0.01292040 0.00915375
12.08403130 5.91278641 -1.07249741
-0.00092438 0.00076436 0.00003643
0.00299267 0.00530169 -0.00874243
13.61473456 3.96209079 0.30673539
-0.00008254 -0.00034886 -0.00064688
0.00683334 0.00012850 -0.00410520
-4.34976902 10.96080556 -2.01051081
-0.00100888 -0.00113525 0.00047192
0.00103899 -0.01011370 0.00709152
-7.14989949 10.85130495 -0.75993952
0.00039366 -0.00016399 0.00050192
-0.00956897 -0.02352102 0.03021380
7.41137986 14.27075561 4.81050243
0.00034390 -0.00075271 0.00091847
-0.00515124 0.01515373 -0.00234673
9.08992083 12.09562291 4.17027376
0.00092586 -0.00040785 0.00005672
0.03626918 -0.01694651 -0.02866280
20.45083761 -13.10062464 -8.79615577
-0.00107815 -0.00048397 0.00041744
-0.01936069 -0.00866998 0.00564971
23.22376835 -12.46391940 -8.91318587
-0.00082770 -0.00002149 -0.00140660
0.00975427 -0.00284827 -0.00152390
19.92161189 -4.92995165 -2.57168938
-0.00065745 -0.00029157 0.00016517
-0.00391446 0.00727751 -0.01343060
18.27234222 -6.83230281 -1.23112045
-0.00030898 0.00000760 0.00009982
-0.02383456 -0.02007262 -0.00164179
13.97077806 9.60788525 8.92310736
0.00002946 0.00001058 0.00103727
-0.00323233 -0.00442838 0.00060003
15.17247661 7.63067449 10.62503994
0.00026612 0.00018176 -0.00039105
0.00093258 0.00357275 -0.00649215
2.93618726 -15.12627711 17.40139064
-0.00027133 0.00042995 0.00073776
0.01713071 0.02077765 -0.01932559
3.32241477 -12.21282167 17.23222795
-0.00097438 -0.00071649 0.00041811
0.00768859 -0.00293327 -0.00175242
-2.62251352 -3.79832205 -12.49198628
0.00008791 0.00003493 0.00026676
-0.00596249 0.01166119 -0.01509364
-0.91630006 -1.69800384 -13.41096799
0.00063439 -0.00095507 -0.00113719
0.01746523 0.01271682 -0.00407397
16.05850582 -7.52545757 -14.88949219
-0.00067556 0.00055090 -0.00059782
0.00072688 -0.00460410 -0.01734951
16.70024414 -8.31818485 -12.21233314
0.00069588 -0.00023548 0.00008989
0.01647814 -0.00627157 0.01569880
8.09816327 -3.65121576 6.02537334
-0.00014038 0.00088122 -0.00111598
-0.02866652 0.00698386 0.00267028
10.49109244 -4.38979539 5.14212773
0.00019990 -0.00052777 0.00054562
0.02251976 -0.00252489 -0.00401295
-20.95412262 0.66752217 25.22076898
0.00079895 -0.00052199 0.00025398
-0.03921456 -0.02235947 0.00541300
-19.31520950 2.88535889 26.04308485
-0.00089195 -0.00037113 0.00046907
-0.00246717 -0.01490998 -0.01244994
25.22930115 -2.61066634 -7.32319609
-0.00019748 -0.00011357 -0.00081031
0.01757528 -0.02989179 -0.00593012
23.50713355 -0.90403507 -9.03337934
-0.00000869 0.00003006 0.00008762
0.00467233 0.00008574 -0.02079888
11.85673680 -10.13055664 -9.51625324
0.00052525 -0.00091709 0.00052968
-0.00120636 -0.00962839 -0.00431961
13.00052068 -9.42574991 -12.06736431
-0.00027823 -0.00006692 -0.00015873
-0.01025987 0.00159881 -0.00213436
-7.30693378 -10.72403855 17.42263063
0.00083771 -0.00036120 0.00016731
-0.00697505 0.00268482 0.00675696
-10.24858264 -10.64795171 17.65533652
0.00045454 0.00140995 -0.00005443
0.00188072 -0.00066511 0.00563109
8.19416797 1.59253531 -29.39114169
-0.00002556 -0.00121105 -0.00007605
-0.02017027 0.00108525 0.01712196
5.39283828 0.74507687 -28.36355048
0.00059933 0.00056104 0.00034836
-0.00130279 -0.00095180 -0.01014158
14.08445078 19.36337614 13.69839066
0.00015210 0.00037904 0.00066056
0.00992229 -0.00223938 -0.00504904
13.11961757 17.73502682 11.33988812
0.00068232 -0.00056238 -0.00087659
0.00640635 0.01076604 0.01843694
27.76353317 7.73807803 -11.56758608
-0.00027767 0.00020180 0.00041465
0.01903857 0.00181692 -0.00446892
26.01981670 7.62232842 -9.21976025
0.00019268 0.00004373 0.00047135
0.00795255 0.00201969 -0.00333593
-7.85896590 4.71853382 6.13009827
0.00011949 0.00004732 0.00009953
-0.00187439 -0.00518760 0.00298446
-10.36989568 9.15025165 2.99687509
0.00024993 -0.00009592 0.00020745
0.00952881 -0.00313988 0.01055384
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.07463066
0.28626748
381.43706264
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0587209302
ExchangeOperator: pair fraction: ispin=0: 0.1459599784
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3889818957 (a.u.)
total exchange computation time: 2.7912139893 s
-154.1703930528
-931.36207151
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0587209302
ExchangeOperator: pair fraction: ispin=0: 0.1459599784
ExchangeOperator: bisection time: 1.427 s
total exchange = -52.3883142216 (a.u.)
total exchange computation time: 2.7876899242 s
-154.1760194837
Anderson extrapolation: theta=1.3430469514 (1.3430469514)
-931.36230792
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0587209302
ExchangeOperator: pair fraction: ispin=0: 0.1459599784
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3873352866 (a.u.)
total exchange computation time: 2.7896289825 s
-154.1840134661
Anderson extrapolation: theta=0.0503492463 (0.0503492463)
-931.36244778
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0587209302
ExchangeOperator: pair fraction: ispin=0: 0.1459599784
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.3872192731 (a.u.)
total exchange computation time: 2.7897751331 s
-154.1848352961
Anderson extrapolation: theta=1.8971326250 (1.8971326250)
-931.36245276
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0587209302
ExchangeOperator: pair fraction: ispin=0: 0.1459599784
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.3869756326 (a.u.)
total exchange computation time: 2.7873179913 s
-154.1865139896
Anderson extrapolation: theta=0.2177806690 (0.2177806690)
-931.36245784
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0587209302
ExchangeOperator: pair fraction: ispin=0: 0.1459599784
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3869136822 (a.u.)
total exchange computation time: 2.7896020412 s
-154.1868987353
Anderson extrapolation: theta=1.8838178289 (1.8838178289)
-931.36245882
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0587209302
ExchangeOperator: pair fraction: ispin=0: 0.1459599784
ExchangeOperator: bisection time: 1.427 s
total exchange = -52.3868116838 (a.u.)
total exchange computation time: 2.7896969318 s
-154.1874814164
Anderson extrapolation: theta=0.2830026075 (0.2830026075)
-931.36246006
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0587209302
ExchangeOperator: pair fraction: ispin=0: 0.1459599784
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.3867990699 (a.u.)
total exchange computation time: 2.7889730930 s
-154.1875007885
Anderson extrapolation: theta=1.3102249177 (1.3102249177)
-931.36246038
19.951732 27.572736 -167.230348
561.817831 1074.476546 -405.925019
581.769563 1102.049281 -573.155367
1371.668881
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0587209302
ExchangeOperator: pair fraction: ispin=0: 0.1459599784
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3867959286 (a.u.)
total exchange computation time: 2.7258021832 s
679.09065853
-1084.42408156
89.76827712
-388.58136891
-174.82914992
78.59694291
551.60419304
0.00000000
-931.36246066
4.56713210 -30.92936267 -3.50136259
-0.00003973 -0.00015022 0.00004995
-0.00727482 0.00152146 0.01618596
-11.75946397 2.10546274 -9.32839390
0.00021458 0.00008227 0.00017625
-0.03582514 -0.00248415 -0.01261829
-36.21514797 1.36862229 3.12352020
-0.00002892 0.00001254 0.00012073
0.02218922 0.03487767 -0.00781507
-7.45390887 -3.48561808 2.63055022
0.00013503 0.00012312 0.00008786
-0.00792014 -0.01891029 -0.02341597
2.25014639 0.09603342 9.01894180
0.00002079 -0.00017518 0.00006169
0.01977147 -0.04289160 -0.02716015
-31.03851434 1.46768227 2.62455486
-0.00012510 0.00014012 -0.00018358
-0.04278618 0.01431790 0.00535603
16.89982740 13.17774335 -18.17606319
-0.00034112 -0.00021248 -0.00046983
-0.04161982 0.01509837 -0.02140975
-3.43332058 5.12654529 5.52886388
-0.00009272 -0.00020364 0.00002537
-0.00363226 0.00969205 0.01024405
5.74606551 17.05698918 -6.99854745
-0.00022243 -0.00015587 -0.00014390
0.02621338 0.05163644 0.04281710
7.25167513 5.74902313 -20.92585266
-0.00009797 0.00007298 0.00026555
0.00014952 -0.02061331 -0.01718254
18.61621536 19.63945930 -5.12906096
-0.00004955 -0.00019284 -0.00011237
-0.01276203 -0.04589570 -0.03291668
1.95196933 13.97748021 -21.21770488
-0.00000883 0.00018129 -0.00008038
0.00383692 0.00287708 0.00809743
10.44086853 -5.28879003 0.42368476
0.00035792 -0.00003456 0.00011488
0.00965239 -0.02322854 0.00572040
-18.04041290 -4.17915521 5.34054656
0.00060979 -0.00035994 0.00003596
0.00616926 -0.01167693 0.01063332
-14.28204087 -1.34005020 20.63574403
-0.00006318 0.00006314 0.00003656
0.00620948 -0.03069359 0.04042655
1.59820912 3.76097021 -4.00750262
-0.00002339 0.00005063 -0.00002271
0.00336489 -0.02125416 -0.00158695
21.26093743 -10.62216946 -4.47252938
-0.00003544 0.00007641 0.00005804
-0.04571819 -0.01876131 -0.03424922
3.05412662 -10.42305542 7.80712408
0.00012326 -0.00020506 -0.00033935
0.02158360 -0.00080264 -0.01487750
-1.89323736 -1.79426529 -19.64133076
-0.00015880 0.00007091 -0.00036368
-0.02717176 0.01526986 0.02416080
-0.45253679 3.62690168 -10.48882086
-0.00038112 0.00032789 -0.00015198
-0.01643565 0.01121442 0.05953320
-4.98695591 14.68010264 14.46257219
0.00005725 0.00016402 -0.00004164
0.01399571 0.01831046 0.01380956
-5.37128136 2.76133376 -7.23336183
0.00014032 0.00007437 0.00025409
0.00679661 -0.02617994 -0.00974469
-9.24483342 0.85209774 -4.04371736
-0.00003094 0.00011785 0.00009568
0.00731061 -0.01273797 -0.01266917
2.88176687 27.49310742 5.81276974
-0.00006036 0.00000275 0.00001429
0.00933919 -0.00279893 0.04392349
9.92835813 -10.82647069 -1.51033676
-0.00015915 -0.00010274 0.00006682
-0.00000383 0.01126360 0.01660297
-6.76621100 1.03442303 9.27699359
0.00003290 0.00006092 0.00004854
-0.03372100 0.00224192 0.00008961
20.27737396 10.80969181 6.94102560
-0.00027041 -0.00005059 -0.00018606
-0.05897640 -0.01143403 -0.02032252
-3.08865698 1.09225389 -23.88193992
0.00017846 -0.00008460 -0.00013309
0.00807825 -0.03334694 0.02780793
-13.63934040 8.77984796 8.66312169
0.00032232 -0.00017635 0.00030907
-0.02167649 -0.02010918 -0.02269868
-13.57324063 6.04071900 -3.40529053
-0.00016310 -0.00019776 -0.00021966
0.00450693 -0.01359971 0.00054701
-2.39899329 -15.42943755 20.53106019
-0.00033299 -0.00010066 -0.00003980
-0.01043933 0.01558001 0.01648363
-6.00169632 7.75233076 -7.94345975
0.00003318 0.00037154 0.00026402
0.01214065 0.00133327 -0.01307375
-19.67023723 30.35923838 0.93356554
0.00024910 -0.00017702 -0.00016104
0.01767952 0.01512429 0.00744603
9.85785900 3.81304547 7.97310541
-0.00001247 -0.00002176 -0.00006928
-0.02441064 0.00375923 -0.04593804
7.23574274 16.09234110 -11.61118770
0.00014775 0.00015148 0.00014175
0.00893523 -0.00809383 -0.01265974
13.63877606 4.97157243 -1.25427219
-0.00018977 -0.00049422 -0.00000684
-0.01230104 0.00020166 0.01016167
-6.07940463 11.53854156 -1.96773766
0.00009112 0.00034835 0.00037030
0.02328939 0.03330376 -0.02605861
7.80586402 12.58131035 5.26487221
-0.00035440 -0.00003715 0.00008762
-0.02299235 -0.00128436 0.02118213
21.60674023 -11.95272646 -9.54328258
-0.00034945 0.00019377 0.00028044
-0.01233026 0.01220141 -0.00645373
19.77437777 -5.90318747 -1.04497429
-0.00010679 0.00018456 0.00050618
0.02352019 0.01332984 0.01437874
14.85530241 8.02174840 8.83544465
0.00044575 -0.00005394 0.00028570
0.00589256 -0.00098320 0.00845905
3.83861117 -13.76802826 16.38786684
0.00009601 0.00006058 -0.00016374
-0.02458986 -0.02459241 0.01804882
-2.58813121 -2.34689479 -13.65429213
-0.00006811 0.00024939 0.00019026
-0.01288962 -0.02440738 0.01815305
15.51199682 -7.38816850 -13.16682929
-0.00004792 -0.00006187 -0.00001230
-0.01557269 0.00695589 0.00509827
9.77536726 -3.74915150 6.67181517
0.00031016 -0.00020372 -0.00020958
-0.00188154 0.00335449 -0.00454944
-19.40777463 1.40202658 24.85627357
-0.00001366 0.00001830 -0.00011419
0.03934885 0.03510213 0.00448899
24.19658267 -1.15736244 -7.40515594
-0.00033637 0.00031350 0.00010906
-0.01361021 0.02750703 0.02941546
11.62322611 -10.45753997 -11.33246180
0.00003114 0.00023471 -0.00025099
0.01524994 0.02562881 0.02086551
-8.88274960 -10.73033545 16.44738141
-0.00020025 0.00016076 -0.00030371
-0.00688830 0.00006861 -0.02534941
6.93612946 1.59225177 -27.90573585
0.00028477 -0.00002702 -0.00010211
0.02776466 0.00406754 -0.01232408
12.63901726 18.65291569 12.87628662
-0.00012986 -0.00027037 -0.00023184
-0.00802771 -0.01236824 -0.01363586
26.03260592 7.55408099 -11.08045669
0.00002484 0.00001345 -0.00007950
-0.01619675 -0.00705361 0.01377501
5.15355315 -29.87059118 -4.87607256
-0.00024703 -0.00047643 -0.00005626
0.00113770 0.00936790 0.00196449
4.05948099 -29.83797938 -2.06679334
-0.00051925 -0.00028284 -0.00020132
0.00618013 -0.01649803 -0.01630092
-10.08882768 2.25998649 -8.81919219
0.00089901 0.00075031 0.00059365
0.03540676 0.00278365 0.01316714
-11.80225179 2.56878808 -11.11471959
0.00004836 -0.00014422 -0.00000755
-0.00582766 0.00267751 0.00100103
-36.84395047 3.20854498 2.79471065
0.00020077 0.00119826 0.00094857
0.00657952 -0.02631032 -0.00341423
-37.49584045 0.42816127 3.90100901
0.00040984 0.00053713 -0.00057382
-0.02808496 -0.01324127 0.00893689
-8.64104575 -4.16892487 1.28893373
-0.00030178 0.00034237 0.00013114
0.00822010 0.01196131 0.02304470
-6.31315661 -4.90439077 2.83097092
-0.00036592 -0.00014903 -0.00008900
-0.00088472 0.00013277 0.00465275
2.90370741 -0.11612425 7.26526226
-0.00014291 0.00007955 0.00099020
-0.01245209 0.00736276 0.02625122
1.66399589 1.74436521 9.32057429
0.00000458 0.00017854 -0.00018216
-0.01186651 0.02626909 0.00022626
-29.96810575 0.01434340 2.65017543
0.00081846 0.00062313 0.00069700
0.00054993 -0.01811246 0.00024936
-32.89255421 0.89874716 2.78363649
-0.00054506 0.00023280 -0.00008668
0.03942842 0.01045631 -0.00118460
15.67550070 11.81511225 -18.41511439
0.00125389 0.00047560 -0.00007559
0.00335373 0.00886214 0.00090622
18.23076492 12.39927045 -17.30768279
0.00081741 0.00019541 -0.00062681
0.03430844 -0.01887048 0.02187753
-2.97528603 6.78007985 6.23479405
0.00031971 -0.00007818 -0.00023483
-0.00152486 -0.00925413 -0.00476785
-2.96596944 5.19373114 3.79045657
0.00065844 -0.00013725 -0.00082062
0.00587177 0.00191676 -0.00987067
5.92490827 16.57901735 -8.69446066
0.00066883 -0.00018603 0.00009688
0.00764208 -0.01862983 -0.04404019
7.22052607 18.28962328 -6.84977842
0.00006541 0.00020154 0.00087640
-0.03264428 -0.03069141 0.00236534
7.61051865 5.00820606 -22.70128652
0.00093598 0.00066092 0.00035217
-0.00009783 0.03573782 0.03234155
8.61070616 6.93895717 -20.48039182
0.00024495 0.00005628 -0.00104027
-0.00245987 -0.00563294 -0.00698246
19.23684370 21.00026919 -4.17018083
0.00048459 0.00060597 -0.00069552
0.01362996 0.03614600 0.01654818
19.40489690 19.59153138 -6.78540017
-0.00011082 0.00056095 0.00033920
0.00196348 0.00577827 0.01392665
1.48993117 12.30121568 -20.56201113
-0.00023676 0.00000776 -0.00053244
0.00071704 0.01665873 -0.01480542
0.55862937 14.80395627 -22.11608230
0.00076754 0.00088502 -0.00117217
-0.00502617 -0.01367488 0.01200448
10.19379782 -6.95230194 -0.33601390
-0.00098585 -0.00029148 0.00141279
0.00304827 0.00396125 0.00103183
9.63253936 -4.13420666 -0.71415618
-0.00121929 0.00049826 -0.00018328
-0.01300030 0.01718498 -0.00842422
-18.19930057 -5.25211950 6.86699958
-0.00003601 -0.00082333 -0.00028903
-0.00325494 0.00711175 -0.02289814
-18.71311496 -5.09148048 3.87293984
-0.00028598 0.00004977 -0.00031499
0.00040117 0.00048189 0.01435106
-14.33916223 -0.22886406 19.26158071
-0.00018828 -0.00008217 0.00087713
-0.00496027 0.02942178 -0.02931276
-14.26340993 -0.39906324 22.23941892
-0.00064498 0.00062512 0.00003898
-0.00225873 -0.00028432 -0.01306203
1.17361786 2.83453013 -2.49285353
-0.00024352 -0.00051960 -0.00099827
-0.00256100 0.00765481 0.00998374
2.04276518 2.28405611 -5.02252143
-0.00001389 0.00024492 -0.00137328
-0.00204621 0.01138614 -0.00798533
21.63132704 -10.58645168 -6.29469689
-0.00104832 0.00006813 -0.00145182
-0.00434831 0.00452623 0.01546125
22.57797071 -9.95381387 -3.57006929
0.00037020 -0.00021116 0.00083411
0.04635663 0.02270802 0.02293985
4.69890215 -10.41927561 6.92269896
-0.00078239 -0.00010443 0.00039763
-0.01535226 0.00432464 0.00425066
3.33132199 -11.77330846 9.00469308
0.00052320 0.00047025 0.00001631
-0.00628114 -0.00196544 0.00883776
-2.10971880 -3.18464179 -20.75243967
0.00006543 -0.00016068 0.00019796
0.00225737 -0.02761328 -0.01363243
-3.41747905 -1.94354806 -18.54270317
0.00057548 -0.00050686 0.00037921
0.02620438 0.00531317 -0.01231539
0.71755827 5.01987718 -10.02492831
0.00058314 -0.00063008 -0.00157648
-0.01528359 -0.01818226 -0.00854797
-1.50958697 3.35895095 -8.84420023
0.00016460 -0.00078334 0.00047057
0.03230358 0.01040369 -0.04969817
-3.75196704 15.54580002 15.60397019
-0.00066660 0.00055451 -0.00015241
-0.03012368 -0.01828908 -0.01699186
-6.70019703 15.01726843 15.08495518
0.00012670 0.00036482 -0.00110900
0.01715092 -0.00217487 -0.00028420
-6.74862241 1.99546588 -6.26188697
0.00048260 0.00041727 0.00028635
0.00078640 0.00267505 0.00763768
-4.82172207 1.35474612 -8.31430594
-0.00001661 0.00043222 -0.00013759
-0.00899173 0.01719203 0.00505208
-9.98843900 -0.81212539 -3.74840178
0.00026735 -0.00048488 -0.00063228
0.00215874 0.02295205 0.00702556
-9.60808355 2.18636612 -2.80061926
-0.00042246 0.00106233 0.00066554
-0.00027978 -0.00851281 -0.00261671
3.21001773 29.01068284 4.82857225
0.00059904 0.00010701 -0.00052517
-0.00033502 0.00109987 0.01158258
3.24657166 27.65336554 7.71807938
-0.00048440 -0.00046257 -0.00003726
-0.00808959 0.01002904 -0.05338158
8.19059186 -10.84623150 -0.96282925
-0.00128308 -0.00082786 -0.00006172
-0.00878585 0.00270123 -0.01242744
10.75802423 -11.13246813 0.16741158
-0.00015908 -0.00063260 -0.00004777
-0.00013677 -0.00583242 -0.01860834
-5.45222312 -0.04785251 8.73447944
-0.00116267 -0.00023403 -0.00006454
0.02963910 -0.01262555 -0.00568140
-8.22037240 -0.08440867 9.06836014
0.00069251 0.00017004 -0.00034094
0.00369698 0.01021747 0.00520991
20.38426216 10.98559309 8.68812192
0.00017489 -0.00039176 0.00007643
-0.00599877 0.00014364 0.04423007
21.95813700 10.92938484 6.56560006
-0.00050181 -0.00075481 0.00100127
0.06842810 0.00676077 -0.02101219
-2.84248947 -0.19948996 -22.40938161
0.00005698 -0.00093141 -0.00020909
-0.00923191 0.03914085 -0.02631771
-4.88645954 1.32973692 -24.12642644
-0.00151283 0.00089131 -0.00011500
0.00200649 -0.00176045 0.00299451
-12.54513779 9.85317447 9.62651119
0.00024710 0.00043600 -0.00068905
0.01471422 0.00784356 0.01538766
-13.46257764 9.51446633 6.99107020
0.00014715 -0.00023584 -0.00028638
-0.00635089 -0.00266312 0.00673204
-14.54692626 4.86795501 -4.43345776
-0.00117801 -0.00019452 0.00030869
0.00159597 0.00226402 -0.00737938
-13.75185343 7.73205275 -4.02498162
0.00058083 0.00045198 -0.00114267
-0.00646902 0.00219118 -0.00237582
-4.20112296 -15.61205793 20.31954857
0.00031758 -0.00020983 0.00045303
0.00196112 -0.00549481 -0.00067798
-1.62608472 -16.70690633 19.53771676
-0.00046692 -0.00025355 -0.00032465
0.00128432 -0.01090198 -0.01167933
-5.35686646 6.05584770 -7.54526966
0.00043152 0.00027298 -0.00013286
-0.02300551 0.01007472 0.00455412
-7.46238348 8.34966686 -6.98039325
0.00014932 0.00011246 0.00027571
0.00950126 -0.00861375 0.00071657
-20.91998701 29.11743878 0.75508506
0.00015321 -0.00071506 0.00097432
-0.02774172 -0.01437477 -0.00527444
-18.13453929 29.43307911 0.58189120
0.00027109 0.00032620 -0.00118347
0.00849037 0.00278814 0.00342055
9.28184713 2.72939269 6.48614409
-0.00009652 0.00046301 0.00061851
0.01083826 0.02123932 0.03077380
9.03583392 5.54031568 7.68967178
0.00018969 -0.00010072 -0.00015229
0.01967158 -0.02844984 0.01603856
7.82422425 17.67395388 -12.32893511
-0.00057569 0.00083263 -0.00013341
0.00374566 -0.00737622 0.00216080
8.49391943 14.84637228 -12.20846709
-0.00037156 0.00033705 -0.00030912
-0.01416063 0.01221956 0.00852045
12.07025736 5.92441430 -1.07221886
-0.00089519 0.00077502 -0.00000022
0.01129620 -0.00008509 -0.00920021
13.61370592 3.95686189 0.29690641
-0.00005561 -0.00035232 -0.00065555
0.00634588 -0.00182422 -0.00014120
-4.36487035 10.94346695 -2.00321477
-0.00099521 -0.00117807 0.00049934
0.00564998 -0.01085035 0.00633077
-7.14428776 10.84812436 -0.75148481
0.00035463 -0.00025815 0.00062230
-0.00953591 -0.02257132 0.02871062
7.41638052 14.25992930 4.82420757
0.00031942 -0.00067347 0.00090408
-0.00683462 0.02363762 -0.00469591
9.10492013 12.08898582 4.17024621
0.00105777 -0.00047028 -0.00004615
0.02830092 -0.01361137 -0.02169005
20.43407204 -13.10814982 -8.78972105
-0.00114532 -0.00050893 0.00043352
-0.01351767 -0.00354836 0.00221956
23.21165174 -12.46432900 -8.93433158
-0.00077383 -0.00003855 -0.00140731
0.01661813 -0.00550325 0.00117773
19.91163023 -4.93410221 -2.56962343
-0.00067229 -0.00026101 0.00011053
-0.00335001 0.00768315 -0.01331569
18.26697722 -6.83280395 -1.22967351
-0.00040068 -0.00007197 0.00009488
-0.02105403 -0.01887778 -0.00077406
13.97112097 9.60790819 8.93868484
0.00001797 -0.00001101 0.00103838
-0.00239172 -0.00614015 -0.00005695
15.17649695 7.63351041 10.61897525
0.00027219 0.00019296 -0.00040820
0.00204246 0.00190738 -0.00190482
2.93264232 -15.11919112 17.41186481
-0.00019885 0.00051443 0.00065485
0.01834615 0.02057447 -0.02125849
3.30803470 -12.22365895 17.23844583
-0.00094235 -0.00072464 0.00040945
0.00799152 -0.00105600 -0.00248564
-2.62137760 -3.79744083 -12.48844746
0.00006341 0.00008457 0.00020361
-0.00602994 0.01263827 -0.01581905
-0.90624898 -1.71194018 -13.42815075
0.00070406 -0.00090333 -0.00115375
0.01663876 0.01260789 -0.00402985
16.04839475 -7.51733520 -14.89899119
-0.00067319 0.00053161 -0.00066227
0.00043367 -0.00483868 -0.01419629
16.71118734 -8.32190920 -12.21050374
0.00075529 -0.00025487 0.00014604
0.01260082 -0.00321923 0.01178882
8.09517916 -3.63778341 6.00871540
-0.00024370 0.00090871 -0.00110027
-0.02190926 0.00646942 0.00502439
10.49478094 -4.39778928 5.15018901
0.00029525 -0.00054155 0.00052162
0.02415687 -0.00422265 -0.00773386
-20.94334009 0.65900716 25.22474459
0.00063280 -0.00061771 0.00027680
-0.04211707 -0.02449588 0.00575425
-19.32866435 2.87933500 26.04973936
-0.00090025 -0.00043107 0.00041759
-0.00159520 -0.01443049 -0.01274708
25.22687756 -2.61328581 -7.33553244
-0.00012964 -0.00022896 -0.00083338
0.01562935 -0.02659311 -0.00536543
23.50714641 -0.90358161 -9.03270241
0.00000862 0.00003182 0.00000060
0.00380054 0.00077984 -0.02179660
11.86457857 -10.14460799 -9.50844048
0.00051974 -0.00095688 0.00050356
-0.00148843 -0.00985212 -0.00846587
12.99603288 -9.42670467 -12.06981064
-0.00031609 -0.00005688 -0.00016860
-0.00827426 0.00331634 -0.00270017
-7.29458192 -10.72937435 17.42534733
0.00079658 -0.00034964 0.00018730
-0.01315698 0.00297380 0.00302854
-10.24170695 -10.62682282 17.65469269
0.00045864 0.00140713 -0.00002894
0.00012653 -0.00071654 0.00684504
8.19316650 1.57440287 -29.39175780
-0.00010583 -0.00120474 -0.00000702
-0.01912220 0.00199975 0.01667187
5.40178834 0.75346325 -28.35863587
0.00058478 0.00055203 0.00030495
-0.00582115 -0.00345922 -0.01110957
14.08703635 19.36899308 13.70814428
0.00018121 0.00036398 0.00063275
0.00432917 -0.00513138 -0.00856405
13.13004868 17.72692108 11.32730425
0.00070580 -0.00051262 -0.00079149
0.00508563 0.01358871 0.02321879
27.75995159 7.74116064 -11.56150321
-0.00019392 0.00020964 0.00039402
0.02195597 0.00202290 -0.00563127
26.02295063 7.62304632 -9.21279228
0.00022422 0.00005183 0.00045125
0.00748367 0.00194464 -0.00650322
-7.85717863 4.71922969 6.13159930
0.00011881 0.00004547 0.00010059
-0.00193329 -0.00516344 0.00290581
-10.36613012 9.14880739 3.00000518
0.00025212 -0.00009665 0.00020987
0.00934616 -0.00318936 0.01032907
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.07462749
0.28783317
383.52326697
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0587209302
ExchangeOperator: pair fraction: ispin=0: 0.1459599784
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.3782764865 (a.u.)
total exchange computation time: 2.7872869968 s
-154.1294206637
-931.36359808
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0587209302
ExchangeOperator: pair fraction: ispin=0: 0.1459599784
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.3777155253 (a.u.)
total exchange computation time: 2.7891650200 s
-154.1341026861
Anderson extrapolation: theta=1.3434128537 (1.3434128537)
-931.36382729
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0587209302
ExchangeOperator: pair fraction: ispin=0: 0.1459599784
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3768808885 (a.u.)
total exchange computation time: 2.7903699875 s
-154.1408502286
Anderson extrapolation: theta=0.0507016134 (0.0507016134)
-931.36396286
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0587209302
ExchangeOperator: pair fraction: ispin=0: 0.1459599784
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3767721707 (a.u.)
total exchange computation time: 2.7891669273 s
-154.1416262459
Anderson extrapolation: theta=1.9099467558 (1.9099467558)
-931.36396772
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0587209302
ExchangeOperator: pair fraction: ispin=0: 0.1459599784
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3765401095 (a.u.)
total exchange computation time: 2.7883830070 s
-154.1432337605
Anderson extrapolation: theta=0.2213463951 (0.2213463951)
-931.36397273
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0587209302
ExchangeOperator: pair fraction: ispin=0: 0.1459599784
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.3764790638 (a.u.)
total exchange computation time: 2.7901611328 s
-154.1436116613
Anderson extrapolation: theta=1.8840033141 (1.8840033141)
-931.36397369
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0587209302
ExchangeOperator: pair fraction: ispin=0: 0.1459599784
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3763780958 (a.u.)
total exchange computation time: 2.7898759842 s
-154.1441818989
Anderson extrapolation: theta=0.2838821699 (0.2838821699)
-931.36397489
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0587209302
ExchangeOperator: pair fraction: ispin=0: 0.1459599784
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3763651196 (a.u.)
total exchange computation time: 2.7889940739 s
-154.1441991677
Anderson extrapolation: theta=1.3017792879 (1.3017792879)
-931.36397519
19.970987 27.583510 -167.193575
561.779003 1074.484115 -405.973510
581.749990 1102.067624 -573.167085
1371.680213
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0587209302
ExchangeOperator: pair fraction: ispin=0: 0.1459599784
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3763612307 (a.u.)
total exchange computation time: 2.8123118877 s
678.92449875
-1084.07424955
89.78302256
-388.81927549
-174.80161047
78.40436779
551.60419304
0.00000000
-931.36397543
4.56650806 -30.93161008 -3.50055088
-0.00004351 -0.00014986 0.00005831
-0.00740092 -0.00011637 0.01631322
-11.75638340 2.10668726 -9.32579876
0.00019827 0.00008117 0.00017022
-0.02763455 -0.00179660 -0.01085720
-36.21549624 1.36894499 3.12530101
-0.00001627 0.00003242 0.00011571
0.02703427 0.04239931 -0.01169426
-7.45191397 -3.48384418 2.63177781
0.00013072 0.00011354 0.00007575
-0.00882581 -0.01835949 -0.02369315
2.25053455 0.09324024 9.01976238
0.00003012 -0.00019614 0.00004933
0.01649181 -0.03860743 -0.02090671
-31.04055582 1.46983931 2.62182184
-0.00014703 0.00014724 -0.00018079
-0.04250341 0.01335790 0.00549364
16.89455008 13.17461433 -18.18319330
-0.00035915 -0.00020324 -0.00047955
-0.02848987 0.02085951 -0.01636450
-3.43472546 5.12352808 5.52928395
-0.00009390 -0.00019840 0.00002854
-0.00093137 0.01069079 0.00206818
5.74283011 17.05485030 -7.00054077
-0.00020866 -0.00012892 -0.00012160
0.02736058 0.05315818 0.04389945
7.25020617 5.75003825 -20.92193570
-0.00009746 0.00006258 0.00025663
0.00184425 -0.01981985 -0.01751882
18.61542283 19.63638963 -5.13087342
-0.00005583 -0.00021516 -0.00012780
-0.01164443 -0.04087784 -0.02711589
1.95185171 13.98021064 -21.21887941
-0.00000699 0.00018304 -0.00007645
0.00332931 0.00392867 0.00719752
10.44627459 -5.28939802 0.42543001
0.00036174 -0.00004466 0.00011646
0.00517997 -0.01603698 0.00043802
-18.03124223 -4.18459942 5.34112693
0.00061258 -0.00036632 0.00004088
0.00468189 -0.01312850 0.00851020
-14.28296467 -1.33922152 20.63644835
-0.00006002 0.00004678 0.00005894
0.00609382 -0.03290407 0.04660369
1.59787119 3.76164761 -4.00784942
-0.00002120 0.00003940 -0.00002498
0.00514837 -0.02240689 -0.00724761
21.26022942 -10.62109562 -4.47179082
-0.00005749 0.00006743 0.00003966
-0.03999529 -0.01616934 -0.03726143
3.05605885 -10.42613439 7.80197650
0.00013256 -0.00020531 -0.00034614
0.01455100 -0.00018244 -0.01153534
-1.89572422 -1.79314272 -19.64669283
-0.00017244 0.00007893 -0.00035117
-0.02587500 0.01591686 0.02451881
-0.45831692 3.63186332 -10.49087096
-0.00039014 0.00033267 -0.00012171
-0.01866561 0.00738008 0.05818509
-4.98604325 14.68263364 14.46200090
0.00006464 0.00017301 -0.00003517
0.01477713 0.01664160 0.01132661
-5.36915041 2.76234831 -7.22958803
0.00014429 0.00006148 0.00024880
0.00866812 -0.02392723 -0.01082935
-9.24526928 0.85381642 -4.04233107
-0.00002756 0.00011215 0.00009021
0.00581619 -0.00945137 -0.00857681
2.88089748 27.49313790 5.81315351
-0.00005558 0.00000185 0.00003601
0.00926253 -0.00072810 0.04052631
9.92597094 -10.82796829 -1.50927039
-0.00016110 -0.00009707 0.00007580
-0.00760069 0.01076252 0.01830783
-6.76584761 1.03534544 9.27772207
0.00001544 0.00006317 0.00004897
-0.03417729 0.00651605 0.00156674
20.27309029 10.80888892 6.93815634
-0.00030147 -0.00005635 -0.00019539
-0.06178011 -0.01098377 -0.01595364
-3.08594887 1.09085628 -23.88382908
0.00017949 -0.00010145 -0.00011912
-0.00408830 -0.03218248 0.02653674
-13.63458928 8.77712514 8.66767013
0.00031108 -0.00018645 0.00029633
-0.02201163 -0.01915214 -0.02684512
-13.57566980 6.03770019 -3.40858332
-0.00016117 -0.00020332 -0.00022005
0.00302340 -0.00802065 -0.00204918
-2.40402837 -15.43088737 20.53052678
-0.00033678 -0.00009292 -0.00003148
-0.00429146 0.01452978 0.01586614
-6.00115178 7.75790892 -7.93954993
0.00003983 0.00037198 0.00025715
0.01373395 0.00038571 -0.01361012
-19.66643257 30.35664144 0.93117859
0.00025744 -0.00016976 -0.00015734
0.01477375 0.01311342 0.00694469
9.85757781 3.81273358 7.97188896
-0.00002463 -0.00001937 -0.00009204
-0.02288565 0.00551166 -0.04256201
7.23799342 16.09458208 -11.60911029
0.00015202 0.00014847 0.00013515
0.00767892 -0.00361859 -0.01299763
13.63588205 4.96415998 -1.25433562
-0.00019789 -0.00049228 -0.00000254
-0.01929035 0.00732067 0.00656517
-6.07794799 11.54389524 -1.96228369
0.00010168 0.00036525 0.00035763
0.01779081 0.03241616 -0.02320164
7.80045937 12.58074821 5.26626826
-0.00036356 -0.00004084 0.00009718
-0.01263875 -0.01307654 0.01599012
21.60145096 -11.94977290 -9.53910090
-0.00035898 0.00019941 0.00027734
-0.02474346 0.00974759 -0.00559990
19.77286667 -5.90036759 -1.03732608
-0.00009572 0.00019096 0.00051314
0.01952880 0.01154188 0.01269209
14.86201133 8.02093557 8.83976280
0.00044822 -0.00005360 0.00028896
0.00372270 0.00228584 0.00419221
3.83995642 -13.76721446 16.38548029
0.00008308 0.00004763 -0.00015397
-0.02567819 -0.02577350 0.01997210
-2.58920265 -2.34324804 -13.65136825
-0.00007432 0.00023682 0.00019971
-0.01125182 -0.02449650 0.01862042
15.51121801 -7.38906976 -13.16699408
-0.00005475 -0.00005905 -0.00000958
-0.01099711 0.00400351 0.00547341
9.78001240 -3.75219432 6.66865388
0.00030699 -0.00020144 -0.00021169
-0.01044708 0.00551708 -0.00363127
-19.40782770 1.40243654 24.85457796
0.00000658 0.00003646 -0.00011189
0.03936304 0.03549100 0.00448775
24.19148457 -1.15255384 -7.40340651
-0.00034256 0.00032641 0.00012411
-0.01043007 0.02269024 0.02909777
11.62375211 -10.45392045 -11.33614624
0.00003856 0.00024744 -0.00023910
0.01357489 0.02386577 0.02539772
-8.88577991 -10.72792377 16.44272794
-0.00020192 0.00016072 -0.00031603
0.00039063 -0.00020982 -0.02256008
6.94050807 1.59186217 -27.90731503
0.00029974 -0.00002449 -0.00010795
0.03045822 0.00576949 -0.01038162
12.63703833 18.64881244 12.87275638
-0.00013230 -0.00027661 -0.00023901
-0.00143012 -0.01190501 -0.01424766
26.03291610 7.55425557 -11.08159611
0.00001598 0.00000981 -0.00007135
-0.01826423 -0.00710038 0.01794915
5.14988262 -29.87745059 -4.87685628
-0.00024182 -0.00043656 -0.00004984
0.00141198 0.01014920 0.00118037
4.05188162 -29.84272746 -2.07031270
-0.00049394 -0.00034842 -0.00026617
0.00621056 -0.01560508 -0.01543969
-10.07425752 2.27132638 -8.80988395
0.00102603 0.00076051 0.00064141
0.02676820 0.00221316 0.01021212
-11.80170497 2.56670679 -11.11480224
0.00002564 -0.00013372 -0.00000134
-0.00529583 0.00246149 0.00204123
-36.84073735 3.22571263 2.80883459
0.00022946 0.00108441 0.00093381
0.00746386 -0.02941969 -0.00380941
-37.49055345 0.43581245 3.89267559
0.00028328 0.00047434 -0.00052999
-0.03386525 -0.01749547 0.01251511
-8.64532056 -4.16342272 1.29160695
-0.00026750 0.00039147 0.00022574
0.00855929 0.01206936 0.02326619
-6.31867247 -4.90662215 2.82977853
-0.00036825 -0.00014981 -0.00006991
-0.00025681 -0.00051423 0.00468876
2.90118226 -0.11470543 7.28091970
-0.00018854 0.00010754 0.00108492
-0.00988753 0.00633924 0.02011593
1.66370101 1.74784823 9.31784884
-0.00004227 0.00027901 -0.00018154
-0.01106872 0.02291440 0.00007642
-29.95581207 0.02313530 2.66063811
0.00081679 0.00055156 0.00069791
-0.00136762 -0.01692260 0.00019282
-32.89952193 0.90255952 2.78229992
-0.00038093 0.00027473 -0.00009150
0.04091611 0.01007154 -0.00117437
15.69441183 11.82251782 -18.41622043
0.00125110 0.00049377 -0.00007504
-0.00471936 0.00003429 -0.00063927
18.24407745 12.40162336 -17.31641461
0.00094735 0.00012487 -0.00054386
0.02929664 -0.01566127 0.01872952
-2.97053718 6.77862361 6.23112543
0.00031285 -0.00011697 -0.00025430
-0.00183093 -0.00973278 -0.00475842
-2.95591294 5.19173106 3.77784475
0.00067756 -0.00013051 -0.00084432
0.00348809 0.00138483 -0.00172861
5.93517497 16.57565601 -8.69435703
0.00070111 -0.00026192 -0.00008365
0.00815936 -0.01851896 -0.04432854
7.22050690 18.29170594 -6.83656000
-0.00007161 0.00007299 0.00088439
-0.03442996 -0.03223790 0.00154831
7.62455529 5.01921501 -22.69501290
0.00093266 0.00080337 0.00048173
-0.00152411 0.03399372 0.03107808
8.61430504 6.93962877 -20.49620978
0.00023459 0.00003487 -0.00106525
-0.00260972 -0.00484919 -0.00524950
19.24453021 21.01046642 -4.18010649
0.00053509 0.00074527 -0.00063126
0.01109149 0.03204126 0.01490503
19.40329481 19.60012263 -6.77988538
-0.00010024 0.00058243 0.00038808
0.00321301 0.00473772 0.01000084
1.48640176 12.30184258 -20.57045146
-0.00023450 0.00007640 -0.00059330
0.00039084 0.01693992 -0.01498380
0.56998839 14.81681253 -22.13329703
0.00074828 0.00082635 -0.00112065
-0.00440073 -0.01504240 0.01321707
10.17910344 -6.95655283 -0.31479050
-0.00097334 -0.00027632 0.00141540
0.00307537 0.00346173 0.00024828
9.61385165 -4.12620615 -0.71716351
-0.00126318 0.00055559 -0.00020553
-0.00848336 0.01087773 -0.00246785
-18.19994042 -5.26425146 6.86196242
-0.00004869 -0.00079368 -0.00038218
-0.00295261 0.00740194 -0.02269957
-18.71739232 -5.09071912 3.86865478
-0.00028184 0.00005432 -0.00025252
0.00162579 0.00174228 0.01622660
-14.34213842 -0.22919498 19.27383948
-0.00020859 0.00004473 0.00074703
-0.00498171 0.03269507 -0.03437233
-14.27315380 -0.38969521 22.23960339
-0.00065373 0.00062110 -0.00001610
-0.00202449 -0.00168079 -0.01389914
1.16988659 2.82697066 -2.50752170
-0.00025566 -0.00049251 -0.00095155
-0.00338114 0.00560861 0.01288610
2.04249419 2.28807877 -5.04336530
-0.00002439 0.00029773 -0.00140022
-0.00309743 0.01446694 -0.00520344
21.61546894 -10.58529099 -6.31600044
-0.00106616 0.00008713 -0.00137243
-0.00438228 0.00477165 0.02339994
22.58494428 -9.95628541 -3.55685473
0.00054831 -0.00012446 0.00091715
0.04082757 0.01972951 0.01771118
4.68669580 -10.42070956 6.92879363
-0.00083078 -0.00008605 0.00040621
-0.00833196 0.00467297 -0.00005123
3.33897759 -11.76631496 9.00520860
0.00049729 0.00046008 0.00005456
-0.00640324 -0.00301416 0.00988208
-2.10866824 -3.18789813 -20.74988793
0.00007442 -0.00027546 0.00014079
0.00214559 -0.02857294 -0.01435682
-3.40804382 -1.95098810 -18.53739233
0.00068024 -0.00048479 0.00032971
0.02507606 0.00549061 -0.01191679
0.72583707 5.00986883 -10.04883740
0.00052314 -0.00069913 -0.00160672
-0.01408959 -0.01561719 -0.00625455
-1.50612812 3.34751967 -8.83866458
0.00029885 -0.00073757 0.00026573
0.03341326 0.01200248 -0.05057067
-3.76288918 15.55355731 15.60116340
-0.00078557 0.00048218 -0.00021879
-0.02811221 -0.01711846 -0.01550174
-6.69777090 15.02267403 15.06831150
0.00019118 0.00035692 -0.00110812
0.01441091 -0.00169021 0.00071441
-6.74135925 2.00180695 -6.25735766
0.00048185 0.00042538 0.00032010
-0.00115575 0.00129136 0.00888256
-4.82224673 1.36175626 -8.31621496
-0.00005337 0.00050072 -0.00011769
-0.00900488 0.01633851 0.00468939
-9.98436264 -0.81869523 -3.75767067
0.00027718 -0.00038719 -0.00060301
0.00265347 0.02486786 0.00730224
-9.61442908 2.20204025 -2.79071634
-0.00042092 0.00101716 0.00064570
0.00103484 -0.01359981 -0.00709494
3.21899303 29.01232165 4.82104964
0.00059650 0.00010581 -0.00047348
-0.00090715 -0.00168619 0.01371833
3.23905773 27.64673429 7.71588473
-0.00051602 -0.00042001 -0.00025295
-0.00738670 0.01080595 -0.05220016
8.17107644 -10.85856667 -0.96413588
-0.00130261 -0.00081628 -0.00011638
-0.00077331 0.00296764 -0.01432983
10.75563383 -11.14213579 0.16612474
-0.00016047 -0.00065577 -0.00012323
-0.00054096 -0.00550977 -0.01832578
-5.46875494 -0.05174985 8.73333726
-0.00103129 -0.00029042 -0.00009079
0.03467208 -0.01497543 -0.00717096
-8.20987141 -0.08154494 9.06340573
0.00069830 0.00020813 -0.00031952
-0.00086646 0.00842639 0.00527264
20.38670170 10.97972115 8.69062376
0.00014757 -0.00039178 0.00025159
-0.00737648 -0.00015349 0.04150790
21.95270669 10.91826983 6.57997525
-0.00021341 -0.00072731 0.00091167
0.07274568 0.00670139 -0.02285059
-2.84191765 -0.21226167 -22.41332448
0.00001811 -0.00076894 -0.00031815
-0.00979653 0.04038879 -0.02706630
-4.90909054 1.34305265 -24.12805971
-0.00147862 0.00087932 -0.00009906
0.01474257 -0.00411225 0.00481074
-12.54098040 9.85995488 9.61664700
0.00030871 0.00046945 -0.00062382
0.01544524 0.00852949 0.01654086
-13.46056501 9.51084719 6.98698086
0.00011995 -0.00024986 -0.00025281
-0.00696383 -0.00420153 0.00969807
-14.56454753 4.86510652 -4.42905357
-0.00116920 -0.00018331 0.00027992
0.00271656 0.00322429 -0.00670087
-13.74333920 7.73889958 -4.04219450
0.00055562 0.00044775 -0.00114754
-0.00587002 -0.00425948 -0.00000619
-4.19629910 -15.61537372 20.32632324
0.00031437 -0.00023336 0.00044910
-0.00353572 -0.00602316 -0.00124646
-1.63304919 -16.71104368 19.53248914
-0.00046291 -0.00029493 -0.00036974
0.00068064 -0.00935475 -0.01039546
-5.35109858 6.06025114 -7.54712300
0.00033656 0.00031536 -0.00011413
-0.02347971 0.01066749 0.00461362
-7.45985253 8.35108980 -6.97623564
0.00018599 0.00007770 0.00027995
0.00845092 -0.00839915 0.00135936
-20.91853893 29.10627247 0.76953817
0.00004606 -0.00076904 0.00095369
-0.02471019 -0.01205073 -0.00482412
-18.13021271 29.43805758 0.56424401
0.00030518 0.00033694 -0.00116941
0.00819701 0.00246849 0.00345901
9.28073151 2.73698870 6.49636474
-0.00005442 0.00054391 0.00073731
0.00977023 0.01836192 0.02737852
9.03928213 5.53793304 7.68787895
0.00026920 -0.00021485 -0.00008643
0.01924832 -0.02741459 0.01619902
7.81570369 17.68621736 -12.33086999
-0.00056170 0.00079563 -0.00012226
0.00310142 -0.01073817 0.00329417
8.48791203 14.85180255 -12.21284277
-0.00042550 0.00038461 -0.00027603
-0.01224151 0.01105907 0.00767426
12.05717572 5.93603697 -1.07250415
-0.00083382 0.00076443 -0.00003849
0.01874144 -0.00509638 -0.00952922
13.61306620 3.95152120 0.28706878
-0.00003077 -0.00036388 -0.00064778
0.00581303 -0.00383299 0.00394736
-4.37962541 10.92546336 -1.99553074
-0.00096328 -0.00122385 0.00052354
0.00998107 -0.01155852 0.00551869
-7.13926046 10.84356045 -0.74127054
0.00031754 -0.00034701 0.00073432
-0.00862125 -0.02092456 0.02612624
7.42096231 14.25055165 4.83762491
0.00028855 -0.00056053 0.00088045
-0.00827209 0.03164465 -0.00687294
9.12165389 12.08151454 4.16888936
0.00115568 -0.00051853 -0.00011973
0.01962625 -0.01000785 -0.01433097
20.41647804 -13.11589246 -8.78315029
-0.00118858 -0.00051304 0.00043573
-0.00766082 0.00153539 -0.00113340
23.20055359 -12.46507587 -8.95540511
-0.00069273 -0.00006639 -0.00139758
0.02307678 -0.00812558 0.00358557
19.90144326 -4.93778191 -2.56837355
-0.00068495 -0.00022936 0.00005721
-0.00284948 0.00780989 -0.01278227
18.26032190 -6.83446204 -1.22827400
-0.00047920 -0.00014550 0.00009372
-0.01738190 -0.01711551 0.00020557
13.97131730 9.60755482 8.95425884
0.00000981 -0.00003933 0.00103674
-0.00160282 -0.00772050 -0.00074543
15.18064246 7.63646322 10.61279381
0.00028292 0.00019721 -0.00040604
0.00320992 0.00017196 0.00296393
2.93022174 -15.11084419 17.42103612
-0.00012224 0.00059685 0.00056500
0.01915693 0.01977046 -0.02272151
3.29414441 -12.23456095 17.24451137
-0.00090915 -0.00072511 0.00039783
0.00825658 0.00082860 -0.00320139
-2.62061122 -3.79578507 -12.48587813
0.00003867 0.00013718 0.00013837
-0.00607928 0.01311441 -0.01611482
-0.89517818 -1.72510384 -13.44558049
0.00076856 -0.00085275 -0.00117024
0.01493164 0.01215185 -0.00404218
16.03831027 -7.50950937 -14.90936022
-0.00067217 0.00051131 -0.00071293
0.00006296 -0.00509419 -0.01060251
16.72290280 -8.32583085 -12.20795186
0.00079823 -0.00026139 0.00018581
0.00841694 0.00002482 0.00767815
8.09085232 -3.62395457 5.99236537
-0.00031856 0.00093362 -0.00107481
-0.01473365 0.00572633 0.00743778
10.49994993 -4.40604196 5.15777631
0.00039651 -0.00056191 0.00048329
0.02540971 -0.00574015 -0.01102908
-20.93513876 0.64899089 25.22907286
0.00045904 -0.00072017 0.00030005
-0.04293724 -0.02565826 0.00562950
-19.34221696 2.87242673 26.05561266
-0.00090500 -0.00048836 0.00036546
-0.00072887 -0.01361198 -0.01277314
25.22541183 -2.61753506 -7.34819761
-0.00007101 -0.00032902 -0.00085403
0.01307027 -0.02238592 -0.00474019
23.50739218 -0.90308035 -9.03336131
0.00002294 0.00003623 -0.00008910
0.00320641 0.00137794 -0.02211294
11.87232913 -10.15926314 -9.50114655
0.00051317 -0.00099725 0.00046128
-0.00173075 -0.00990568 -0.01223069
12.99103797 -9.42745618 -12.07242246
-0.00034546 -0.00003958 -0.00018095
-0.00610089 0.00515058 -0.00334269
-7.28303640 -10.73452790 17.42824964
0.00073134 -0.00033682 0.00019267
-0.01877624 0.00330325 -0.00039990
-10.23482350 -10.60573785 17.65446837
0.00045597 0.00140416 0.00000108
-0.00143154 -0.00073648 0.00785153
8.19099312 1.55639297 -29.39135216
-0.00018111 -0.00119479 0.00005943
-0.01772705 0.00287515 0.01585469
5.41038165 0.76163762 -28.35440213
0.00055208 0.00053304 0.00025779
-0.01018680 -0.00583554 -0.01197170
14.08988723 19.37429553 13.71737304
0.00018800 0.00033737 0.00059090
-0.00100983 -0.00789533 -0.01191759
13.14079147 17.71964815 11.31614338
0.00072411 -0.00045236 -0.00068851
0.00387924 0.01591221 0.02719003
27.75771561 7.74436721 -11.55576545
-0.00009981 0.00021819 0.00036903
0.02410865 0.00216228 -0.00660426
26.02654321 7.62388340 -9.20622286
0.00025376 0.00005962 0.00041880
0.00697960 0.00186687 -0.00937877
-7.85540173 4.71989785 6.13311593
0.00011810 0.00004362 0.00010162
-0.00198801 -0.00513560 0.00283294
-10.36233203 9.14735204 3.00317123
0.00025427 -0.00009740 0.00021224
0.00917437 -0.00323486 0.01009677
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.07463912
0.28933631
385.52612062
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0587936047
ExchangeOperator: pair fraction: ispin=0: 0.1461763115
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.3671761981 (a.u.)
total exchange computation time: 2.8497030735 s
-154.0870307472
-931.36499668
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0587936047
ExchangeOperator: pair fraction: ispin=0: 0.1461763115
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.3667206198 (a.u.)
total exchange computation time: 2.8531069756 s
-154.0908371204
Anderson extrapolation: theta=1.3713401178 (1.3713401178)
-931.36522800
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0587936047
ExchangeOperator: pair fraction: ispin=0: 0.1461763115
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.3660162868 (a.u.)
total exchange computation time: 2.8499078751 s
-154.0965215672
Anderson extrapolation: theta=0.0622034292 (0.0622034292)
-931.36537059
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0587936047
ExchangeOperator: pair fraction: ispin=0: 0.1461763115
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3659091785 (a.u.)
total exchange computation time: 2.8485209942 s
-154.0972957675
Anderson extrapolation: theta=2.1854061738 (2.0000000000)
-931.36537754
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0587936047
ExchangeOperator: pair fraction: ispin=0: 0.1461763115
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3656756315 (a.u.)
total exchange computation time: 2.8510019779 s
-154.0989207910
Anderson extrapolation: theta=0.3406364171 (0.3406364171)
-931.36538609
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0587936047
ExchangeOperator: pair fraction: ispin=0: 0.1461763115
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3655956417 (a.u.)
total exchange computation time: 2.8516411781 s
-154.0994169190
Anderson extrapolation: theta=1.2864477824 (1.2864477824)
-931.36538822
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0587936047
ExchangeOperator: pair fraction: ispin=0: 0.1461763115
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.3655119373 (a.u.)
total exchange computation time: 2.8497188091 s
-154.0998653997
Anderson extrapolation: theta=0.4310895802 (0.4310895802)
-931.36539005
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0587936047
ExchangeOperator: pair fraction: ispin=0: 0.1461763115
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.3654970395 (a.u.)
total exchange computation time: 2.8484370708 s
-154.0998692219
Anderson extrapolation: theta=0.9474396046 (0.9474396046)
-931.36539065
19.999493 27.585372 -167.158397
561.742662 1074.492078 -406.024181
581.742155 1102.077450 -573.182577
1371.691258
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0587936047
ExchangeOperator: pair fraction: ispin=0: 0.1461763115
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.3654998265 (a.u.)
total exchange computation time: 2.8504898548 s
678.75168536
-1083.70990303
89.79747855
-389.06637346
-174.77277860
78.20476594
551.60419304
0.00000000
-931.36539099
4.56582693 -30.93385838 -3.49961331
-0.00004728 -0.00015040 0.00006657
-0.00728259 -0.00198917 0.01580498
-11.75351602 2.10789791 -9.32328737
0.00018633 0.00008046 0.00016517
-0.01876688 -0.00096655 -0.00877581
-36.21563595 1.36959478 3.12699160
-0.00000137 0.00005591 0.00010888
0.03089428 0.04897926 -0.01486126
-7.44998715 -3.48221192 2.63282260
0.00012604 0.00010430 0.00006360
-0.00937386 -0.01758310 -0.02355122
2.25104994 0.09014921 9.02042166
0.00003756 -0.00021462 0.00004049
0.01244761 -0.03324495 -0.01347816
-31.04292520 1.47209941 2.61913119
-0.00016850 0.00015379 -0.00017794
-0.04100349 0.01211223 0.00560350
16.88905298 13.17164623 -18.19044965
-0.00037002 -0.00019091 -0.00048652
-0.01378271 0.02708475 -0.01072880
-3.43613753 5.12059334 5.52971998
-0.00009371 -0.00019272 0.00002755
0.00167434 0.01139218 -0.00588883
5.73980579 17.05312152 -7.00219542
-0.00019446 -0.00010151 -0.00009926
0.02784162 0.05342448 0.04296214
7.24875144 5.75090046 -20.91815389
-0.00009607 0.00005296 0.00024752
0.00354371 -0.01759416 -0.01788737
18.61454047 19.63300460 -5.13289506
-0.00006150 -0.00023455 -0.00014005
-0.01041112 -0.03452566 -0.02052125
1.95175978 13.98297138 -21.21999842
-0.00000536 0.00018542 -0.00007301
0.00299316 0.00534739 0.00618117
10.45172061 -5.29012973 0.42717865
0.00036324 -0.00005112 0.00011537
0.00067084 -0.00908609 -0.00467496
-18.02203545 -4.19014492 5.34177295
0.00061463 -0.00037334 0.00004467
0.00329872 -0.01415029 0.00621285
-14.28384147 -1.33864668 20.63751220
-0.00005693 0.00002955 0.00008401
0.00591282 -0.03410316 0.05090953
1.59757297 3.76215214 -4.00825214
-0.00001814 0.00002765 -0.00003007
0.00678984 -0.02325819 -0.01254381
21.25921286 -10.62014652 -4.47133973
-0.00007628 0.00005995 0.00002027
-0.03309160 -0.01290972 -0.03811818
3.05810333 -10.42921477 7.79673993
0.00013804 -0.00020530 -0.00035107
0.00677431 0.00020866 -0.00766027
-1.89841070 -1.79189736 -19.65186575
-0.00018530 0.00008707 -0.00033876
-0.02412236 0.01573129 0.02374062
-0.46424105 3.63688190 -10.49247217
-0.00040023 0.00033542 -0.00009236
-0.02057808 0.00331277 0.05594097
-4.98501659 14.68529302 14.46151698
0.00007236 0.00018101 -0.00003015
0.01523752 0.01445833 0.00821142
-5.36695260 2.76317827 -7.22589778
0.00014916 0.00004987 0.00024307
0.01025804 -0.02124631 -0.01146973
-9.24566026 0.85546218 -4.04101094
-0.00002486 0.00010814 0.00008672
0.00466990 -0.00612953 -0.00501553
2.88009955 27.49316277 5.81384993
-0.00005088 0.00000196 0.00005573
0.00901637 0.00117936 0.03619061
9.92352512 -10.82938285 -1.50806279
-0.00016687 -0.00009167 0.00008551
-0.01483852 0.01025657 0.01945183
-6.76574788 1.03631811 9.27846263
-0.00000192 0.00006749 0.00005007
-0.03330531 0.01030231 0.00271531
20.26833000 10.80800130 6.93516401
-0.00033304 -0.00006180 -0.00020233
-0.06100830 -0.01021427 -0.01105389
-3.08327230 1.08921039 -23.88551351
0.00017460 -0.00011758 -0.00010584
-0.01492079 -0.03052964 0.02511082
-13.63000797 8.77425456 8.67201147
0.00029980 -0.00019597 0.00028170
-0.02184613 -0.01788476 -0.03001875
-13.57807565 6.03461950 -3.41189193
-0.00015997 -0.00020608 -0.00022177
0.00162168 -0.00273606 -0.00465742
-2.40909656 -15.43222510 20.53011577
-0.00033734 -0.00008581 -0.00002356
0.00210351 0.01312920 0.01494820
-6.00050129 7.76349007 -7.93574511
0.00004729 0.00037199 0.00024997
0.01526138 -0.00035127 -0.01433870
-19.66251393 30.35414565 0.92884522
0.00026414 -0.00016373 -0.00015390
0.01126822 0.01032598 0.00643671
9.85712007 3.81246422 7.97034415
-0.00003583 -0.00001611 -0.00011282
-0.02067903 0.00720211 -0.03822403
7.24030334 16.09679514 -11.60713315
0.00015552 0.00014779 0.00012846
0.00592528 0.00097633 -0.01300769
13.63283923 4.95680400 -1.25434840
-0.00020936 -0.00048682 -0.00000012
-0.02530020 0.01390855 0.00284226
-6.07635409 11.54949900 -1.95700872
0.00010936 0.00038152 0.00034668
0.01205206 0.03084399 -0.01939516
7.79495722 12.58008519 5.26778767
-0.00036745 -0.00005037 0.00010402
-0.00248126 -0.02397624 0.01060451
21.59597080 -11.94674413 -9.53496242
-0.00037465 0.00020382 0.00027473
-0.03619937 0.00738581 -0.00454187
19.77150622 -5.89745866 -1.02957995
-0.00008686 0.00019640 0.00051911
0.01493249 0.00960029 0.01050573
14.86874898 8.02014037 8.84411330
0.00044959 -0.00005162 0.00028999
0.00162134 0.00540080 -0.00017284
3.84110357 -13.76659949 16.38324783
0.00006969 0.00003422 -0.00014332
-0.02637550 -0.02635622 0.02144070
-2.59036089 -2.33979027 -13.64830071
-0.00007949 0.00022440 0.00020931
-0.00883239 -0.02379948 0.01870052
15.51035437 -7.38994014 -13.16711664
-0.00005920 -0.00005776 -0.00000673
-0.00630183 0.00103737 0.00558472
9.78457694 -3.75519458 6.66546458
0.00029950 -0.00019806 -0.00021346
-0.01867071 0.00761328 -0.00325295
-19.40757710 1.40312031 24.85291698
0.00002630 0.00005446 -0.00010952
0.03730290 0.03450265 0.00470516
24.18630600 -1.14757020 -7.40143260
-0.00034706 0.00033670 0.00013880
-0.00707541 0.01732743 0.02801702
11.62438283 -10.45011681 -11.33963474
0.00004506 0.00025920 -0.00022496
0.01173083 0.02187526 0.02956150
-8.88880721 -10.72551371 16.43790044
-0.00020008 0.00016053 -0.00032694
0.00675562 -0.00054842 -0.01986942
6.94512165 1.59151708 -27.90897430
0.00031592 -0.00002114 -0.00011272
0.03247163 0.00724023 -0.00818888
12.63504837 18.64461733 12.86911622
-0.00013147 -0.00028254 -0.00024636
0.00462373 -0.01116233 -0.01431878
26.03308537 7.55437537 -11.08259706
0.00000629 0.00000617 -0.00006119
-0.01943087 -0.00705150 0.02154168
5.14629862 -29.88368800 -4.87756766
-0.00023563 -0.00039378 -0.00004635
0.00161783 0.01079295 0.00052579
4.04466288 -29.84843192 -2.07477829
-0.00046888 -0.00040956 -0.00032645
0.00605281 -0.01432600 -0.01406916
-10.05804683 2.28280191 -8.79994985
0.00111623 0.00076805 0.00067648
0.01738466 0.00147768 0.00695366
-11.80148272 2.56477634 -11.11475978
0.00000521 -0.00012406 0.00000902
-0.00470435 0.00226877 0.00303024
-36.83706679 3.24107725 2.82272508
0.00026146 0.00095818 0.00091779
0.00820209 -0.03237035 -0.00403275
-37.48734192 0.44239140 3.88510917
0.00013534 0.00039592 -0.00047307
-0.03855441 -0.02088915 0.01534865
-8.64907081 -4.15718089 1.29570606
-0.00023255 0.00044051 0.00032035
0.00855199 0.01194019 0.02304399
-6.32420407 -4.90888505 2.82887349
-0.00036806 -0.00015322 -0.00005070
0.00035155 -0.00115491 0.00471436
2.89805114 -0.11289810 7.29780997
-0.00022282 0.00013108 0.00115240
-0.00689249 0.00518634 0.01291527
1.66272777 1.75273558 9.31512807
-0.00008521 0.00036378 -0.00018178
-0.00995086 0.01857897 -0.00019147
-29.94360220 0.03089007 2.67111261
0.00080655 0.00048586 0.00069850
-0.00364091 -0.01523351 0.00009722
-32.90398207 0.90698912 2.78089139
-0.00021242 0.00031462 -0.00009615
0.04157004 0.00945400 -0.00109909
15.71303373 11.82992548 -18.41736564
0.00121420 0.00047411 -0.00008097
-0.01334365 -0.00965868 -0.00226358
18.25918545 12.40301644 -17.32399857
0.00105466 0.00006832 -0.00047482
0.02323186 -0.01202085 0.01506502
-2.96590053 6.77657088 6.22716519
0.00030491 -0.00015708 -0.00027343
-0.00205803 -0.00990434 -0.00461029
-2.94564268 5.18981584 3.76512699
0.00068698 -0.00012592 -0.00083548
0.00112512 0.00086029 0.00605662
5.94594171 16.57115972 -8.69697014
0.00073511 -0.00033621 -0.00026135
0.00847978 -0.01784457 -0.04265750
7.21837765 18.29181286 -6.82324669
-0.00021412 -0.00006036 0.00088923
-0.03532604 -0.03303725 0.00082016
7.63849852 5.03230731 -22.68683462
0.00092364 0.00093788 0.00060480
-0.00289274 0.03184840 0.02916719
8.61774398 6.94000318 -20.51234946
0.00022329 0.00001719 -0.00108342
-0.00292361 -0.00380425 -0.00364087
19.25289648 21.02262734 -4.18911867
0.00057436 0.00086652 -0.00057451
0.00813085 0.02731090 0.01287517
19.40188963 19.60900423 -6.77375767
-0.00008419 0.00059970 0.00041998
0.00464442 0.00371538 0.00561299
1.48289630 12.30350766 -20.57981009
-0.00023371 0.00014510 -0.00065441
-0.00000705 0.01668860 -0.01492817
0.58107770 14.82874691 -22.14970173
0.00073139 0.00076241 -0.00106437
-0.00386473 -0.01625834 0.01433182
10.16459754 -6.96059156 -0.29355189
-0.00096076 -0.00026314 0.00141492
0.00308354 0.00299139 -0.00048584
9.59464403 -4.11753900 -0.72032209
-0.00128851 0.00058758 -0.00020387
-0.00391724 0.00478045 0.00327991
-18.20076122 -5.27592978 6.85553410
-0.00006020 -0.00076347 -0.00047344
-0.00268422 0.00738452 -0.02196977
-18.72157004 -5.08985098 3.86536420
-0.00027288 0.00006369 -0.00018312
0.00275612 0.00284577 0.01774551
-14.34541993 -0.22752215 19.28399170
-0.00022889 0.00018249 0.00059929
-0.00495753 0.03473696 -0.03794960
-14.28302173 -0.38043020 22.23893604
-0.00066146 0.00061172 -0.00007380
-0.00176248 -0.00291355 -0.01434690
1.16594810 2.81975491 -2.52140013
-0.00027098 -0.00047371 -0.00089360
-0.00412105 0.00359097 0.01548209
2.04203337 2.29298805 -5.06452808
-0.00003906 0.00036237 -0.00141593
-0.00408222 0.01717177 -0.00248418
21.59934226 -10.58383788 -6.33586990
-0.00108349 0.00010705 -0.00126302
-0.00410170 0.00497861 0.03015938
22.59442001 -9.95754780 -3.54255473
0.00070075 -0.00005130 0.00097677
0.03379132 0.01608305 0.01147018
4.67397881 -10.42185712 6.93488515
-0.00084892 -0.00006627 0.00039645
-0.00054802 0.00500978 -0.00472488
3.34624075 -11.75950618 9.00632975
0.00047088 0.00044604 0.00009668
-0.00652642 -0.00385461 0.01073688
-2.10748618 -3.19290560 -20.74821608
0.00008320 -0.00039218 0.00008211
0.00215229 -0.02856122 -0.01436469
-3.39707176 -1.95809165 -18.53281183
0.00077917 -0.00046217 0.00028280
0.02334773 0.00558025 -0.01104609
0.73325236 4.99890335 -10.07312981
0.00046892 -0.00075695 -0.00162751
-0.01245038 -0.01268586 -0.00392395
-1.50062151 3.33682398 -8.83622821
0.00043627 -0.00068576 0.00005933
0.03385681 0.01335833 -0.05046531
-3.77553422 15.56026547 15.59740656
-0.00089485 0.00041561 -0.00027786
-0.02538200 -0.01546969 -0.01341463
-6.69446159 15.02797605 15.05171161
0.00024367 0.00035108 -0.00110311
0.01128044 -0.00116660 0.00173799
-6.73416691 2.00822716 -6.25228397
0.00047340 0.00042783 0.00035878
-0.00298264 -0.00008966 0.01005356
-4.82332325 1.36976773 -8.31783659
-0.00008975 0.00056464 -0.00009990
-0.00880322 0.01494970 0.00401699
-9.98012367 -0.82374101 -3.76649203
0.00028853 -0.00028293 -0.00057251
0.00290597 0.02616489 0.00762848
-9.62071119 2.21688090 -2.78124824
-0.00041420 0.00095239 0.00060854
0.00225299 -0.01810433 -0.01109599
3.22791273 29.01385713 4.81436778
0.00059160 0.00009357 -0.00041344
-0.00149175 -0.00430631 0.01567034
3.23109110 27.64076529 7.71049094
-0.00054436 -0.00037426 -0.00046143
-0.00648832 0.01158622 -0.04985102
8.15151364 -10.87071996 -0.96632073
-0.00129037 -0.00080348 -0.00017830
0.00676222 0.00329972 -0.01597979
10.75321027 -11.15214111 0.16371479
-0.00016329 -0.00067771 -0.00019688
-0.00084124 -0.00523277 -0.01772771
-5.48316183 -0.05656498 8.73175560
-0.00088162 -0.00035487 -0.00012229
0.03859234 -0.01657365 -0.00824493
-8.19942353 -0.07816479 9.05877447
0.00068494 0.00023835 -0.00029802
-0.00567235 0.00636802 0.00525141
20.38868917 10.97383981 8.69566947
0.00011473 -0.00039323 0.00041231
-0.00869774 -0.00055600 0.03716690
21.95173468 10.90756552 6.59295002
0.00008511 -0.00070050 0.00081673
0.07338458 0.00642100 -0.02362143
-2.84194623 -0.22255810 -22.41892614
-0.00002277 -0.00060261 -0.00042907
-0.01021182 0.04102792 -0.02722864
-4.93081802 1.35611637 -24.12939815
-0.00139552 0.00085794 -0.00007629
0.02593540 -0.00635235 0.00633415
-12.53587642 9.86725803 9.60779654
0.00037214 0.00050463 -0.00055502
0.01560510 0.00869236 0.01713984
-13.45897917 9.50697054 6.98348588
0.00009037 -0.00026974 -0.00020796
-0.00751435 -0.00553194 0.01225767
-14.58200230 4.86245563 -4.42506004
-0.00115570 -0.00016811 0.00025405
0.00389364 0.00421854 -0.00596363
-13.73518472 7.74548538 -4.05940777
0.00053266 0.00041782 -0.00114281
-0.00536886 -0.01039549 0.00232034
-4.19169192 -15.61905865 20.33302153
0.00028854 -0.00025906 0.00044294
-0.00910785 -0.00655920 -0.00176912
-1.63997195 -16.71575435 19.52662442
-0.00046172 -0.00032925 -0.00040905
-0.00009692 -0.00744359 -0.00884225
-5.34676969 6.06530836 -7.54869360
0.00024016 0.00035930 -0.00009506
-0.02370951 0.01084150 0.00472132
-7.45680366 8.35199799 -6.97199472
0.00021806 0.00004407 0.00028695
0.00724654 -0.00806568 0.00206836
-20.91860525 29.09436761 0.78369563
-0.00004700 -0.00081197 0.00093487
-0.02084101 -0.00896629 -0.00438842
-18.12538377 29.44318733 0.54680880
0.00033766 0.00034644 -0.00115511
0.00770250 0.00217901 0.00354168
9.28021467 2.74571004 6.50826332
-0.00001744 0.00061178 0.00084047
0.00832755 0.01485843 0.02312209
9.04390999 5.53387025 7.68707889
0.00034625 -0.00032330 -0.00002027
0.01846466 -0.02567198 0.01618622
7.80737321 17.69782274 -12.33260298
-0.00055010 0.00074553 -0.00010673
0.00257819 -0.01378607 0.00431128
8.48115440 14.85791058 -12.21674812
-0.00047085 0.00042653 -0.00024682
-0.00995841 0.00946284 0.00662611
12.04524267 5.94734731 -1.07337345
-0.00074407 0.00073436 -0.00007780
0.02519258 -0.00962444 -0.00971675
13.61278273 3.94594559 0.27747307
-0.00000817 -0.00038359 -0.00062333
0.00524889 -0.00581741 0.00801798
-4.39376878 10.90675139 -1.98750849
-0.00091466 -0.00127230 0.00054435
0.01381771 -0.01215745 0.00466493
-7.13476152 10.83771415 -0.72945509
0.00028569 -0.00042786 0.00083391
-0.00697023 -0.01865256 0.02262257
7.42503714 14.24311338 4.85062105
0.00025253 -0.00041689 0.00084852
-0.00936168 0.03866847 -0.00875435
9.13959046 12.07342992 4.16665422
0.00121780 -0.00055195 -0.00016340
0.01078467 -0.00635063 -0.00704627
20.39841452 -13.12354100 -8.77664900
-0.00120834 -0.00049690 0.00042468
-0.00200972 0.00636590 -0.00427681
23.19086973 -12.46632072 -8.97625889
-0.00058691 -0.00010459 -0.00137887
0.02872604 -0.01057118 0.00557032
19.89108166 -4.94098296 -2.56790705
-0.00069566 -0.00019779 0.00000701
-0.00239006 0.00764398 -0.01179007
18.25260131 -6.83716908 -1.22686190
-0.00054134 -0.00021095 0.00009675
-0.01303891 -0.01492020 0.00127986
13.97141540 9.60672830 8.96978715
0.00000472 -0.00007372 0.00103225
-0.00089304 -0.00911580 -0.00145611
15.18498469 7.63942658 10.60679402
0.00029849 0.00019431 -0.00038371
0.00441014 -0.00159177 0.00796551
2.92897522 -15.10128561 17.42881492
-0.00004314 0.00067480 0.00047017
0.01956283 0.01838473 -0.02370104
3.28076013 -12.24541216 17.25038072
-0.00087493 -0.00071791 0.00038332
0.00849487 0.00269390 -0.00390251
-2.62021742 -3.79332557 -12.48429642
0.00001377 0.00019070 0.00007280
-0.00610925 0.01308592 -0.01598308
-0.88319227 -1.73752275 -13.46325796
0.00082443 -0.00080461 -0.00118681
0.01241856 0.01141233 -0.00406771
16.02822964 -7.50199575 -14.92037904
-0.00067274 0.00048992 -0.00074831
-0.00034340 -0.00537840 -0.00671483
16.73513409 -8.32975098 -12.20492941
0.00082385 -0.00025460 0.00020872
0.00412476 0.00329987 0.00353514
8.08562250 -3.60977479 5.97647119
-0.00036391 0.00095507 -0.00103960
-0.00746556 0.00477539 0.00979527
10.50667618 -4.41464643 5.16468769
0.00050197 -0.00058792 0.00043271
0.02621283 -0.00699229 -0.01373153
-20.92956889 0.63740213 25.23374614
0.00028627 -0.00082521 0.00032176
-0.04163548 -0.02575937 0.00499740
-19.35581425 2.86468423 26.06070313
-0.00090626 -0.00054163 0.00031378
0.00010874 -0.01246298 -0.01252297
25.22474713 -2.62315627 -7.36115329
-0.00002374 -0.00041052 -0.00087194
0.01007015 -0.01750984 -0.00402891
23.50783446 -0.90249464 -9.03537543
0.00003541 0.00004289 -0.00017862
0.00289926 0.00187942 -0.02170816
11.87997361 -10.17452537 -9.49460220
0.00050570 -0.00103748 0.00040454
-0.00192607 -0.00979086 -0.01554419
12.98566917 -9.42789203 -12.07523913
-0.00036568 -0.00001465 -0.00019603
-0.00379960 0.00705458 -0.00403852
-7.27264160 -10.73947901 17.43112744
0.00064451 -0.00032260 0.00018475
-0.02372812 0.00365682 -0.00347934
-10.22802779 -10.58469802 17.65472523
0.00044745 0.00140113 0.00003468
-0.00273889 -0.00074490 0.00859479
8.18773330 1.53855929 -29.38997484
-0.00024998 -0.00118136 0.00012178
-0.01598650 0.00369577 0.01466305
5.41835065 0.76945436 -28.35090209
0.00050225 0.00050483 0.00020743
-0.01420297 -0.00797447 -0.01267897
14.09267623 19.37911411 13.72587142
0.00017381 0.00029993 0.00053591
-0.00593374 -0.01043296 -0.01500506
13.15177200 17.71335041 11.30664888
0.00073776 -0.00038363 -0.00057100
0.00280120 0.01773087 0.03033497
27.75695715 7.74770631 -11.55043245
0.00000127 0.00022714 0.00034050
0.02537428 0.00221935 -0.00735868
26.03056354 7.62483490 -9.20022824
0.00028119 0.00006708 0.00037532
0.00644668 0.00178370 -0.01190359
-7.85363551 4.72053844 6.13464777
0.00011738 0.00004179 0.00010262
-0.00203654 -0.00510090 0.00276903
-10.35850199 9.14588542 3.00637243
0.00025638 -0.00009815 0.00021456
0.00901901 -0.00327403 0.00986135
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.07474485
0.29064614
387.27140868
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0587936047
ExchangeOperator: pair fraction: ispin=0: 0.1461763115
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3557540648 (a.u.)
total exchange computation time: 2.8515629768 s
-154.0454104680
-931.36603360
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0587936047
ExchangeOperator: pair fraction: ispin=0: 0.1461763115
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.3554534875 (a.u.)
total exchange computation time: 2.8506700993 s
-154.0479702734
Anderson extrapolation: theta=1.3711089192 (1.3711089192)
-931.36625956
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0587936047
ExchangeOperator: pair fraction: ispin=0: 0.1461763115
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3549842131 (a.u.)
total exchange computation time: 2.8506789207 s
-154.0518558107
Anderson extrapolation: theta=0.0612416239 (0.0612416239)
-931.36639925
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0587936047
ExchangeOperator: pair fraction: ispin=0: 0.1461763115
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3549078674 (a.u.)
total exchange computation time: 2.8500859737 s
-154.0524602265
Anderson extrapolation: theta=2.1369177213 (2.0000000000)
-931.36640625
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0587936047
ExchangeOperator: pair fraction: ispin=0: 0.1461763115
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3547390311 (a.u.)
total exchange computation time: 2.8502418995 s
-154.0537512172
Anderson extrapolation: theta=0.3013426658 (0.3013426658)
-931.36641522
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0587936047
ExchangeOperator: pair fraction: ispin=0: 0.1461763115
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3546865700 (a.u.)
total exchange computation time: 2.8514070511 s
-154.0541085613
Anderson extrapolation: theta=1.3471497523 (1.3471497523)
-931.36641743
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0587936047
ExchangeOperator: pair fraction: ispin=0: 0.1461763115
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3546306397 (a.u.)
total exchange computation time: 2.8500940800 s
-154.0544349972
Anderson extrapolation: theta=0.3775463712 (0.3775463712)
-931.36641963
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0587936047
ExchangeOperator: pair fraction: ispin=0: 0.1461763115
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3546256005 (a.u.)
total exchange computation time: 2.8482451439 s
-154.0544026100
Anderson extrapolation: theta=1.0297948498 (1.0297948498)
-931.36642032
20.037667 27.588765 -167.128244
561.708728 1074.500021 -406.077042
581.746395 1102.088786 -573.205286
1371.711654
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0587936047
ExchangeOperator: pair fraction: ispin=0: 0.1461763115
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3546330239 (a.u.)
total exchange computation time: 2.8494939804 s
678.57957778
-1083.34692657
89.81300395
-389.31320796
-174.74423498
78.00469657
551.60419304
0.00000000
-931.36642080
4.56508961 -30.93612204 -3.49855382
-0.00005092 -0.00015195 0.00007439
-0.00687303 -0.00405686 0.01460965
-11.75079342 2.10910112 -9.32084369
0.00017903 0.00008020 0.00016125
-0.00964358 -0.00003818 -0.00647740
-36.21553731 1.37062243 3.12856754
0.00001519 0.00008227 0.00010074
0.03349466 0.05352062 -0.01682564
-7.44813265 -3.48071531 2.63368571
0.00012119 0.00009552 0.00005165
-0.00951476 -0.01655549 -0.02290881
2.25166137 0.08680170 9.02097697
0.00004275 -0.00023010 0.00003574
0.00772638 -0.02695610 -0.00497032
-31.04561091 1.47445294 2.61648378
-0.00018888 0.00015963 -0.00017503
-0.03823069 0.01062365 0.00567705
16.88344954 13.16888708 -18.19778878
-0.00037308 -0.00017531 -0.00049050
0.00188871 0.03358363 -0.00477540
-3.43753668 5.11774649 5.53011058
-0.00009222 -0.00018677 0.00002260
0.00410819 0.01176111 -0.01338270
5.73699625 17.05180489 -7.00351864
-0.00018019 -0.00007433 -0.00007794
0.02763844 0.05228318 0.03996265
7.24732405 5.75162694 -20.91451008
-0.00009389 0.00004440 0.00023850
0.00492966 -0.01569439 -0.01717420
18.61357779 19.62935322 -5.13507502
-0.00006641 -0.00025050 -0.00014870
-0.00866289 -0.02750558 -0.01312050
1.95169093 13.98577338 -21.22106974
-0.00000386 0.00018862 -0.00007012
0.00284404 0.00708520 0.00505054
10.45717180 -5.29093154 0.42889122
0.00036245 -0.00005411 0.00011175
-0.00373791 -0.00255690 -0.00943307
-18.01280322 -4.19579958 5.34246690
0.00061600 -0.00038075 0.00004723
0.00203279 -0.01466413 0.00377337
-14.28467265 -1.33833493 20.63896880
-0.00005396 0.00001205 0.00011072
0.00562825 -0.03395504 0.05293045
1.59732714 3.76247725 -4.00875163
-0.00001427 0.00001557 -0.00003774
0.00822741 -0.02374523 -0.01728711
21.25794100 -10.61929702 -4.47118270
-0.00009132 0.00005427 0.00000093
-0.02537585 -0.00920869 -0.03707686
3.06020008 -10.43229354 7.79144426
0.00013938 -0.00020516 -0.00035390
-0.00157361 0.00036086 -0.00331789
-1.90128328 -1.79053064 -19.65685551
-0.00019712 0.00009488 -0.00032706
-0.02184520 0.01464952 0.02176093
-0.47032393 3.64192603 -10.49364181
-0.00041119 0.00033605 -0.00006446
-0.02201617 -0.00087798 0.05255197
-4.98387237 14.68806395 14.46109641
0.00008021 0.00018774 -0.00002689
0.01528113 0.01172305 0.00447543
-5.36467564 2.76384432 -7.22229602
0.00015475 0.00003973 0.00023713
0.01147855 -0.01818091 -0.01162610
-9.24601522 0.85706066 -4.03972951
-0.00002267 0.00010585 0.00008492
0.00384794 -0.00277377 -0.00198124
2.87937117 27.49319674 5.81482555
-0.00004636 0.00000299 0.00007296
0.00854354 0.00283804 0.03077763
9.92096481 -10.83071829 -1.50670512
-0.00017622 -0.00008653 0.00009564
-0.02152950 0.00971567 0.01994607
-6.76590509 1.03737027 9.27922414
-0.00001844 0.00007357 0.00005165
-0.03094571 0.01331959 0.00342917
20.26309905 10.80703488 6.93208639
-0.00036323 -0.00006679 -0.00020666
-0.05637687 -0.00918667 -0.00578878
-3.08071084 1.08732898 -23.88700422
0.00016454 -0.00013274 -0.00009342
-0.02421388 -0.02842634 0.02316360
-13.62559519 8.77124602 8.67612123
0.00028876 -0.00020474 0.00026573
-0.02109278 -0.01622961 -0.03208208
-13.58046898 6.03151770 -3.41523647
-0.00015948 -0.00020623 -0.00022481
0.00031200 0.00215541 -0.00717331
-2.41414851 -15.43346154 20.52982008
-0.00033462 -0.00007949 -0.00001619
0.00847000 0.01141844 0.01371426
-5.99973306 7.76906850 -7.93205091
0.00005550 0.00037168 0.00024238
0.01667638 -0.00083905 -0.01514837
-19.65850837 30.35172953 0.92656150
0.00026893 -0.00015929 -0.00015073
0.00734031 0.00694056 0.00591723
9.85650280 3.81225042 7.96850446
-0.00004570 -0.00001199 -0.00013107
-0.01769576 0.00879590 -0.03276248
7.24265897 16.09901573 -11.60525636
0.00015799 0.00014948 0.00012187
0.00369504 0.00558884 -0.01264468
13.62960122 4.94955532 -1.25433926
-0.00022364 -0.00047815 0.00000038
-0.03021195 0.01980429 -0.00088824
-6.07466722 11.55534071 -1.95188337
0.00011410 0.00039677 0.00033789
0.00639160 0.02848040 -0.01477488
7.78943593 12.57923720 5.26938889
-0.00036629 -0.00006508 0.00010808
0.00699880 -0.03325543 0.00518614
21.59021137 -11.94365838 -9.53085898
-0.00039580 0.00020702 0.00027273
-0.04603917 0.00507539 -0.00323235
19.77026097 -5.89447567 -1.02175277
-0.00008048 0.00020082 0.00052382
0.00987509 0.00757868 0.00779275
14.87549913 8.01938684 8.84846246
0.00044992 -0.00004811 0.00028879
-0.00036109 0.00826667 -0.00448724
3.84204725 -13.76618785 16.38118077
0.00005607 0.00002069 -0.00013205
-0.02658821 -0.02624213 0.02238296
-2.59158727 -2.33651611 -13.64508890
-0.00008323 0.00021254 0.00021882
-0.00570384 -0.02232016 0.01828301
15.50944211 -7.39080251 -13.16719611
-0.00006124 -0.00005796 -0.00000391
-0.00164925 -0.00181919 0.00541160
9.78899745 -3.75813611 6.66225017
0.00028797 -0.00019366 -0.00021518
-0.02618526 0.00950590 -0.00344371
-19.40703872 1.40407025 24.85129230
0.00004443 0.00007156 -0.00010700
0.03318445 0.03201076 0.00512189
24.18107284 -1.14245289 -7.39924254
-0.00034982 0.00034413 0.00015270
-0.00366752 0.01157368 0.02604354
11.62510405 -10.44614442 -11.34289519
0.00005059 0.00026987 -0.00020883
0.00973709 0.01962998 0.03318978
-8.89178239 -10.72310789 16.43291964
-0.00019523 0.00016016 -0.00033647
0.01210329 -0.00090354 -0.01716341
6.94998575 1.59122785 -27.91069674
0.00033289 -0.00001713 -0.00011631
0.03349966 0.00837661 -0.00576058
12.63309409 18.64033612 12.86536561
-0.00012771 -0.00028803 -0.00025361
0.01001366 -0.01018106 -0.01389269
26.03310474 7.55444077 -11.08343182
-0.00000374 0.00000259 -0.00004937
-0.01955172 -0.00686880 0.02442065
5.14281377 -29.88926395 -4.87824681
-0.00022876 -0.00034868 -0.00004522
0.00174525 0.01128102 0.00002733
4.03781509 -29.85501437 -2.08010614
-0.00044488 -0.00046470 -0.00038012
0.00569852 -0.01266445 -0.01220182
-10.04077071 2.29436799 -8.78958958
0.00116764 0.00077234 0.00069796
0.00778132 0.00062276 0.00356027
-11.80154877 2.56298495 -11.11453161
-0.00001271 -0.00011513 0.00002326
-0.00406645 0.00210306 0.00393968
-36.83289356 3.25445802 2.83636841
0.00029591 0.00082134 0.00090036
0.00866135 -0.03461494 -0.00450058
-37.48649324 0.44769013 3.87848341
-0.00002872 0.00030599 -0.00040655
-0.04175364 -0.02313470 0.01721530
-8.65229695 -4.15020729 1.30121745
-0.00019833 0.00048856 0.00041314
0.00819802 0.01157794 0.02237507
-6.32971412 -4.91121873 2.82825738
-0.00036545 -0.00015919 -0.00003143
0.00092371 -0.00176731 0.00472166
2.89449761 -0.11077293 7.31549176
-0.00024405 0.00014971 0.00118847
-0.00349675 0.00392927 0.00474162
1.66114469 1.75876156 9.31239557
-0.00012308 0.00042932 -0.00018328
-0.00858642 0.01350583 -0.00054262
-29.93161547 0.03771124 2.68159306
0.00078645 0.00042789 0.00069860
-0.00620040 -0.01314784 -0.00004686
-32.90589453 0.91199813 2.77941550
-0.00004305 0.00035152 -0.00010035
0.04133735 0.00860841 -0.00095867
15.73083786 11.83674121 -18.41864957
0.00114168 0.00041383 -0.00009354
-0.02215577 -0.01984860 -0.00388849
18.27571725 12.40367282 -17.33065926
0.00113579 0.00002703 -0.00042130
0.01648117 -0.00818963 0.01113598
-2.96139002 6.77391115 6.22292239
0.00029620 -0.00019727 -0.00029168
-0.00220506 -0.00976692 -0.00432213
-2.93530346 5.18795335 3.75278042
0.00068695 -0.00012345 -0.00079606
-0.00114293 0.00035100 0.01323710
5.95722816 16.56556980 -8.70219756
0.00076993 -0.00040663 -0.00042847
0.00856738 -0.01662831 -0.03914677
7.21408339 18.28989505 -6.80988311
-0.00035845 -0.00019544 0.00089133
-0.03532583 -0.03308167 0.00020664
7.65226447 5.04735147 -22.67686879
0.00090930 0.00106260 0.00071843
-0.00412616 0.02920064 0.02645414
8.62100375 6.94014444 -20.52871228
0.00021105 0.00000343 -0.00109436
-0.00306945 -0.00292907 -0.00171798
19.26176106 21.03646204 -4.19734179
0.00060056 0.00096592 -0.00052725
0.00469208 0.02134738 0.01025922
19.40076909 19.61811353 -6.76728597
-0.00006206 0.00061282 0.00043360
0.00618639 0.00270676 0.00105302
1.47939041 12.30619553 -20.59008361
-0.00023471 0.00021172 -0.00071482
-0.00048146 0.01592149 -0.01464669
0.59193015 14.83968487 -22.16522809
0.00071643 0.00069390 -0.00100382
-0.00346079 -0.01728070 0.01530562
10.15028062 -6.96444695 -0.27234305
-0.00094816 -0.00025174 0.00141157
0.00308277 0.00258798 -0.00115294
9.57519633 -4.10857886 -0.72327966
-0.00129542 0.00059551 -0.00017958
0.00053513 -0.00089604 0.00861198
-18.20174653 -5.28715554 6.84775933
-0.00007071 -0.00073396 -0.00056065
-0.00245768 0.00705989 -0.02071949
-18.72557885 -5.08880843 3.86316116
-0.00025956 0.00007722 -0.00010834
0.00376424 0.00377660 0.01886218
-14.34900526 -0.22372043 19.29181813
-0.00024897 0.00032558 0.00044053
-0.00486845 0.03530748 -0.03976485
-14.29299769 -0.37134374 22.23738942
-0.00066809 0.00059773 -0.00013245
-0.00147969 -0.00393139 -0.01436478
1.16175705 2.81275925 -2.53432973
-0.00028908 -0.00046293 -0.00082589
-0.00473793 0.00168929 0.01766094
2.04132237 2.29894972 -5.08584310
-0.00005754 0.00043715 -0.00142077
-0.00496240 0.01943817 0.00011433
21.58296421 -10.58207964 -6.35389101
-0.00109912 0.00012774 -0.00112843
-0.00355104 0.00515046 0.03572240
22.60596669 -9.95782452 -3.52755176
0.00082242 0.00000618 0.00100957
0.02577003 0.01205789 0.00458713
4.66122823 -10.42269766 6.94068711
-0.00083413 -0.00004515 0.00036710
0.00778958 0.00533043 -0.00964118
3.35310393 -11.75293363 9.00810892
0.00044396 0.00042907 0.00014181
-0.00664910 -0.00445588 0.01135813
-2.10617221 -3.19966348 -20.74742458
0.00009222 -0.00050684 0.00002484
0.00226485 -0.02756733 -0.01367223
-3.38466881 -1.96485320 -18.52890830
0.00086984 -0.00043940 0.00024042
0.02103888 0.00556730 -0.00969949
0.73990462 4.98716041 -10.09766271
0.00042223 -0.00080218 -0.00163880
-0.01040618 -0.00945705 -0.00160052
-1.49303994 3.32694696 -8.83688467
0.00057416 -0.00062892 -0.00014461
0.03363874 0.01446563 -0.04936332
-3.78973482 15.56602555 15.59282759
-0.00099151 0.00035689 -0.00032710
-0.02193313 -0.01327448 -0.01068936
-6.69046094 15.03320657 15.03521823
0.00028273 0.00034745 -0.00109392
0.00784392 -0.00061056 0.00275923
-6.72715738 2.01464187 -6.24659413
0.00045781 0.00042485 0.00040194
-0.00464457 -0.00137096 0.01107203
-4.82493930 1.37869542 -8.31921203
-0.00012506 0.00062221 -0.00008557
-0.00848019 0.01322988 0.00300033
-9.97570659 -0.82718325 -3.77484587
0.00030041 -0.00017472 -0.00054057
0.00290680 0.02680602 0.00800264
-9.62685522 2.23061200 -2.77246017
-0.00040278 0.00087049 0.00055612
0.00334113 -0.02198622 -0.01456549
3.23674101 29.01512869 4.80864630
0.00058434 0.00007110 -0.00034590
-0.00206397 -0.00669051 0.01739410
3.22272682 27.63550636 7.70204197
-0.00056864 -0.00032534 -0.00065779
-0.00539280 0.01236182 -0.04626966
8.13236527 -10.88267102 -0.96948493
-0.00124870 -0.00078918 -0.00024635
0.01363435 0.00369802 -0.01733008
10.75073516 -11.16246713 0.16021837
-0.00016709 -0.00069861 -0.00026744
-0.00102078 -0.00499943 -0.01681077
-5.49520355 -0.06239585 8.72966864
-0.00071863 -0.00042394 -0.00015713
0.04119121 -0.01723908 -0.00881271
-8.18932328 -0.07439436 9.05446504
0.00065173 0.00025977 -0.00027678
-0.01058396 0.00411483 0.00514744
20.39014358 10.96792439 8.70299300
0.00007665 -0.00039645 0.00055257
-0.00994028 -0.00102396 0.03149272
21.95526013 10.89725473 6.60447713
0.00037846 -0.00067516 0.00072071
0.07021123 0.00598281 -0.02337992
-2.84260065 -0.23034009 -22.42619655
-0.00006504 -0.00043498 -0.00053940
-0.01048278 0.04102762 -0.02677858
-4.95095602 1.36879077 -24.13034840
-0.00127007 0.00082774 -0.00004789
0.03547157 -0.00842734 0.00756888
-12.52981607 9.87509391 9.59999651
0.00043503 0.00053935 -0.00048489
0.01517820 0.00830161 0.01718908
-13.45785386 9.50275487 6.98074213
0.00005869 -0.00029459 -0.00015360
-0.00799240 -0.00663269 0.01435016
-14.59921845 4.86006328 -4.42143200
-0.00113733 -0.00014886 0.00023126
0.00509662 0.00520434 -0.00519559
-13.72735928 7.75143407 -4.07647884
0.00051155 0.00036385 -0.00112885
-0.00496459 -0.01601962 0.00451429
-4.18764294 -15.62314557 20.33961139
0.00024028 -0.00028692 0.00043478
-0.01451644 -0.00707533 -0.00222245
-1.64690065 -16.72092120 19.52021779
-0.00046395 -0.00035517 -0.00044158
-0.00099495 -0.00524579 -0.00708276
-5.34389386 6.07103000 -7.54997484
0.00014334 0.00040306 -0.00007547
-0.02368525 0.01058279 0.00486916
-7.45331067 8.35241187 -6.96762704
0.00024497 0.00001201 0.00029694
0.00592354 -0.00762617 0.00282057
-20.91994883 29.08191324 0.79758414
-0.00012297 -0.00084116 0.00091770
-0.01634628 -0.00532023 -0.00401442
-18.12008277 29.44845063 0.52959065
0.00036759 0.00035482 -0.00114036
0.00694433 0.00192623 0.00367737
9.28020820 2.75534200 6.52157896
0.00001280 0.00066399 0.00092438
0.00647876 0.01070137 0.01794952
9.04966949 5.52823413 7.68727083
0.00041933 -0.00042316 0.00004546
0.01731211 -0.02321025 0.01599056
7.79920073 17.70858322 -12.33407175
-0.00054035 0.00068381 -0.00008735
0.00219424 -0.01642786 0.00517212
8.47378646 14.86459855 -12.22024739
-0.00050621 0.00046112 -0.00022228
-0.00734754 0.00746544 0.00538647
12.03485358 5.95806780 -1.07483825
-0.00063012 0.00068690 -0.00011759
0.03058865 -0.01360765 -0.00975734
13.61282095 3.94001346 0.26836875
0.00001206 -0.00041120 -0.00058260
0.00465506 -0.00769506 0.01192316
-4.40706530 10.88729434 -1.97920035
-0.00085182 -0.00132275 0.00056159
0.01694556 -0.01253766 0.00377444
-7.13068976 10.83072471 -0.71625319
0.00026175 -0.00049833 0.00091769
-0.00475096 -0.01584258 0.01838711
7.42853823 14.23804496 4.86308066
0.00021296 -0.00024763 0.00080977
-0.01000845 0.04418349 -0.01021859
9.15818799 12.06495609 4.16398725
0.00124434 -0.00057065 -0.00017815
0.00220423 -0.00280189 -0.00017403
20.38022784 -13.13079940 -8.77040981
-0.00120577 -0.00046186 0.00040141
0.00326830 0.01078589 -0.00711311
23.18294638 -12.46821345 -8.99677129
-0.00046053 -0.00015208 -0.00135315
0.03313558 -0.01267689 0.00702002
19.88057358 -4.94371554 -2.56816312
-0.00070462 -0.00016736 -0.00003842
-0.00199568 0.00724859 -0.01044851
18.24408161 -6.84079052 -1.22537136
-0.00058481 -0.00026677 0.00010430
-0.00823946 -0.01240551 0.00241167
13.97145878 9.60534310 8.98522621
0.00000231 -0.00011334 0.00102483
-0.00028386 -0.01027564 -0.00217519
15.18959721 7.64229238 10.60128241
0.00031895 0.00018424 -0.00034105
0.00560677 -0.00333452 0.01291632
2.92892762 -15.09060029 17.43514117
0.00003677 0.00074591 0.00037236
0.01955116 0.01642659 -0.02417831
3.26789647 -12.25609828 17.25601089
-0.00083979 -0.00070317 0.00036596
0.00870831 0.00452258 -0.00459329
-2.62019804 -3.79006409 -12.48369424
-0.00001120 0.00024304 0.00000865
-0.00611660 0.01253731 -0.01541810
-0.87044528 -1.74924225 -13.48118472
0.00086861 -0.00075995 -0.00120343
0.00920966 0.01044979 -0.00406706
16.01812797 -7.49481175 -14.93180939
-0.00067497 0.00046731 -0.00076748
-0.00074756 -0.00569169 -0.00267233
16.74761818 -8.33346887 -12.20169031
0.00083206 -0.00023464 0.00021494
-0.00010406 0.00647056 -0.00049152
8.07993515 -3.59530234 5.96117731
-0.00037992 0.00097230 -0.00099509
-0.00037228 0.00365707 0.01199429
10.51500891 -4.42367943 5.17075751
0.00060964 -0.00061831 0.00037261
0.02649644 -0.00788761 -0.01568484
-20.92655070 0.62423467 25.23872570
0.00012295 -0.00092845 0.00033985
-0.03831221 -0.02478088 0.00385871
-19.36940487 2.85617792 26.06502613
-0.00090417 -0.00058957 0.00026369
0.00091760 -0.01100436 -0.01199607
25.22469959 -2.62985058 -7.37435589
0.00001071 -0.00047124 -0.00088672
0.00679601 -0.01221342 -0.00320713
23.50845443 -0.90179375 -9.03871996
0.00004723 0.00005137 -0.00026499
0.00288570 0.00227465 -0.02056810
11.88750005 -10.19038764 -9.48901050
0.00049755 -0.00107691 0.00033529
-0.00206438 -0.00950792 -0.01835028
12.98006750 -9.42789553 -12.07830331
-0.00037637 0.00001810 -0.00021399
-0.00143349 0.00897423 -0.00475467
-7.26370102 -10.74420600 17.43379201
0.00053897 -0.00030691 0.00016500
-0.02793792 0.00402728 -0.00618772
-10.22139994 -10.56370384 17.65550884
0.00043423 0.00139807 0.00007065
-0.00373362 -0.00075654 0.00901331
8.18349374 1.52095210 -29.38769888
-0.00031103 -0.00116474 0.00017845
-0.01389811 0.00444115 0.01307976
5.42544920 0.77678238 -28.34817909
0.00043716 0.00046857 0.00015461
-0.01766072 -0.00977303 -0.01317792
14.09510157 19.38329329 13.73345020
0.00014059 0.00025269 0.00046901
-0.01032593 -0.01268905 -0.01773828
13.16292421 17.70813933 11.29901350
0.00074729 -0.00030851 -0.00044234
0.00186497 0.01903873 0.03264102
27.75775379 7.75118142 -11.54555043
0.00010554 0.00023613 0.00030937
0.02566503 0.00217924 -0.00787795
26.03497896 7.62589571 -9.19496314
0.00030639 0.00007418 0.00032233
0.00588914 0.00169193 -0.01403585
-7.85188022 4.72115164 6.13619448
0.00011665 0.00003997 0.00010360
-0.00208148 -0.00506117 0.00271445
-10.35464055 9.14440740 3.00960797
0.00025846 -0.00009891 0.00021682
0.00889797 -0.00327780 0.00962561
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.07475282
0.29166798
388.63296212
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0586482558
ExchangeOperator: pair fraction: ispin=0: 0.1454407788
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.3445676784 (a.u.)
total exchange computation time: 2.9033100605 s
-154.0024091781
-931.36633637
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0586482558
ExchangeOperator: pair fraction: ispin=0: 0.1454407788
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.3443861866 (a.u.)
total exchange computation time: 2.9020318985 s
-154.0041339957
Anderson extrapolation: theta=1.3617565867 (1.3617565867)
-931.36655415
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0586482558
ExchangeOperator: pair fraction: ispin=0: 0.1454407788
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3440904683 (a.u.)
total exchange computation time: 2.9042270184 s
-154.0068781222
Anderson extrapolation: theta=0.0588593213 (0.0588593213)
-931.36668677
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0586482558
ExchangeOperator: pair fraction: ispin=0: 0.1454407788
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3440327797 (a.u.)
total exchange computation time: 2.9021039009 s
-154.0074107959
Anderson extrapolation: theta=2.1719394541 (2.0000000000)
-931.36669289
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0586482558
ExchangeOperator: pair fraction: ispin=0: 0.1454407788
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.3439063520 (a.u.)
total exchange computation time: 2.9058589935 s
-154.0085405813
Anderson extrapolation: theta=0.3357315449 (0.3357315449)
-931.36670043
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0586482558
ExchangeOperator: pair fraction: ispin=0: 0.1454407788
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3438669820 (a.u.)
total exchange computation time: 2.9026441574 s
-154.0088617512
Anderson extrapolation: theta=1.3358317372 (1.3358317372)
-931.36670230
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0586482558
ExchangeOperator: pair fraction: ispin=0: 0.1454407788
ExchangeOperator: bisection time: 1.422 s
total exchange = -52.3438321394 (a.u.)
total exchange computation time: 2.9051210880 s
-154.0091110998
Anderson extrapolation: theta=0.4153446624 (0.4153446624)
-931.36670396
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0586482558
ExchangeOperator: pair fraction: ispin=0: 0.1454407788
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.3438358867 (a.u.)
total exchange computation time: 2.9078810215 s
-154.0090399397
Anderson extrapolation: theta=0.9454949102 (0.9454949102)
-931.36670445
20.085899 27.589509 -167.106021
561.677031 1074.507472 -406.132078
581.762930 1102.096981 -573.238100
1371.738962
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0586482558
ExchangeOperator: pair fraction: ispin=0: 0.1454407788
ExchangeOperator: bisection time: 1.422 s
total exchange = -52.3438528197 (a.u.)
total exchange computation time: 2.9035661221 s
678.41461494
-1082.99598343
89.82711637
-389.55174299
-174.71685677
77.81060292
551.60419304
0.00000000
-931.36670470
4.56429928 -30.93841698 -3.49738161
-0.00005428 -0.00015462 0.00008143
-0.00620250 -0.00629558 0.01278016
-11.74814521 2.11030402 -9.31844998
0.00017634 0.00008043 0.00015852
-0.00081117 0.00092553 -0.00412168
-36.21518028 1.37206298 3.13001368
0.00003271 0.00011053 0.00009189
0.03465753 0.05636497 -0.01756086
-7.44635155 -3.47934642 2.63437208
0.00011636 0.00008731 0.00004014
-0.00927117 -0.01536839 -0.02186289
2.25233240 0.08324624 9.02149393
0.00004539 -0.00024222 0.00003558
0.00253147 -0.02018867 0.00433144
-31.04859156 1.47688844 2.61388016
-0.00020756 0.00016470 -0.00017210
-0.03439970 0.00907759 0.00573875
16.87786067 13.16638701 -18.20516474
-0.00036808 -0.00015635 -0.00049145
0.01755064 0.04013966 0.00109116
-3.43890414 5.11499038 5.53039794
-0.00008954 -0.00018070 0.00001395
0.00631429 0.01184249 -0.02022978
5.73439994 17.05089161 -7.00453355
-0.00016619 -0.00004803 -0.00005858
0.02683937 0.05000751 0.03532372
7.24593469 5.75223235 -20.91099877
-0.00009100 0.00003682 0.00023005
0.00630126 -0.01375039 -0.01569653
18.61254827 19.62548964 -5.13735621
-0.00007038 -0.00026278 -0.00015348
-0.00678686 -0.02025840 -0.00544932
1.95164403 13.98863003 -21.22210210
-0.00000237 0.00019278 -0.00006782
0.00293099 0.00909950 0.00389009
10.46259416 -5.29175307 0.43053101
0.00035946 -0.00005392 0.00010579
-0.00791468 0.00331115 -0.01370817
-18.00355530 -4.20156736 5.34318996
0.00061677 -0.00038831 0.00004853
0.00092698 -0.01473538 0.00127513
-14.28546040 -1.33828514 20.64083374
-0.00005116 -0.00000504 0.00013789
0.00526187 -0.03250447 0.05272538
1.59714477 3.76261916 -4.00938448
-0.00000974 0.00000329 -0.00004768
0.00941183 -0.02400887 -0.02135363
21.25647338 -10.61851856 -4.47131171
-0.00010233 0.00005051 -0.00001752
-0.01747237 -0.00540869 -0.03466903
3.06228469 -10.43536953 7.78612300
0.00013636 -0.00020500 -0.00035441
-0.01016428 0.00025008 0.00131158
-1.90432439 -1.78905089 -19.66167740
-0.00020767 0.00010194 -0.00031664
-0.01916274 0.01281426 0.01873366
-0.47657666 3.64696339 -10.49440603
-0.00042280 0.00033456 -0.00003856
-0.02313683 -0.00489655 0.04818944
-4.98261027 14.69092532 14.46071037
0.00008797 0.00019294 -0.00002569
0.01489541 0.00848670 0.00016988
-5.36231013 2.76437010 -7.21878394
0.00016087 0.00003123 0.00023123
0.01231575 -0.01488219 -0.01130491
-9.24634050 0.85863774 -4.03846337
-0.00002081 0.00010529 0.00008453
0.00341794 0.00058146 0.00046621
2.87870871 27.49325261 5.81603862
-0.00004214 0.00000481 0.00008715
0.00786787 0.00421200 0.02442505
9.91823842 -10.83197877 -1.50519357
-0.00018885 -0.00008166 0.00010587
-0.02755970 0.00921756 0.01984094
-6.76630103 1.03852518 9.28001210
-0.00003341 0.00008095 0.00005347
-0.02727195 0.01540014 0.00365697
20.25743317 10.80599758 6.92896412
-0.00039019 -0.00007123 -0.00020826
-0.04849105 -0.00807163 -0.00041995
-3.07833618 1.08522827 -23.88831622
0.00015007 -0.00014673 -0.00008211
-0.03205274 -0.02599767 0.02084160
-13.62134514 8.76811226 8.67998348
0.00027822 -0.00021259 0.00024896
-0.01988094 -0.01428081 -0.03313545
-13.58285991 6.02843254 -3.41863635
-0.00015962 -0.00020401 -0.00022910
-0.00088590 0.00646851 -0.00949725
-2.41913513 -15.43460989 20.52963019
-0.00032872 -0.00007411 -0.00000950
0.01448328 0.00950822 0.01228331
-5.99883618 7.77464046 -7.92847358
0.00006443 0.00037121 0.00023437
0.01802535 -0.00099485 -0.01599970
-19.65444617 30.34936696 0.92432344
0.00027165 -0.00015669 -0.00014780
0.00325995 0.00317985 0.00545779
9.85574901 3.81210448 7.96641201
-0.00005387 -0.00000707 -0.00014625
-0.01405004 0.01034239 -0.02625115
7.24504311 16.10127943 -11.60347712
0.00015921 0.00015351 0.00011555
0.00104597 0.01008420 -0.01193067
13.62613013 4.94245943 -1.25433696
-0.00024017 -0.00046665 -0.00000099
-0.03408404 0.02490833 -0.00443985
-6.07293104 11.56140214 -1.94687200
0.00011607 0.00041064 0.00033161
0.00124627 0.02546863 -0.00963410
7.78396864 12.57813265 5.27103012
-0.00036053 -0.00008402 0.00010940
0.01537097 -0.04039241 -0.00005241
21.58409677 -11.94053348 -9.52678048
-0.00042149 0.00020905 0.00027146
-0.05386712 0.00282201 -0.00171394
19.76909190 -5.89143421 -1.01386548
-0.00007674 0.00020420 0.00052705
0.00466192 0.00559216 0.00476979
14.88224649 8.01869709 8.85277701
0.00044927 -0.00004320 0.00028544
-0.00214729 0.01081421 -0.00853913
3.84278580 -13.76597866 16.37928639
0.00004244 0.00000738 -0.00012041
-0.02642553 -0.02553353 0.02286787
-2.59285765 -2.33341414 -13.64173605
-0.00008522 0.00020160 0.00022800
-0.00206638 -0.02021006 0.01742569
15.50851713 -7.39167892 -13.16723383
-0.00006096 -0.00005957 -0.00000123
0.00273169 -0.00444276 0.00499075
9.79321594 -3.76100430 6.65900921
0.00027281 -0.00018836 -0.00021716
-0.03276850 0.01110973 -0.00424626
-19.40624433 1.40526714 24.84970713
0.00006001 0.00008706 -0.00010421
0.02742875 0.02827365 0.00571906
24.17581140 -1.13724628 -7.39685156
-0.00035087 0.00034859 0.00016539
-0.00042324 0.00578582 0.02331294
11.62590040 -10.44202058 -11.34589958
0.00005507 0.00027937 -0.00019096
0.00769534 0.01729165 0.03629489
-8.89466420 -10.72070903 16.42780644
-0.00018791 0.00015960 -0.00034461
0.01636923 -0.00125103 -0.01449457
6.95510828 1.59100325 -27.91246362
0.00035011 -0.00001263 -0.00011861
0.03348725 0.00913407 -0.00317175
12.63121705 18.63597636 12.86150781
-0.00012137 -0.00029298 -0.00026055
0.01464473 -0.00904541 -0.01308582
26.03297328 7.55445318 -11.08407818
-0.00001357 -0.00000086 -0.00003624
-0.01868210 -0.00657708 0.02663702
5.13943588 -29.89414853 -4.87892429
-0.00022154 -0.00030193 -0.00004577
0.00178765 0.01160417 -0.00029517
4.03131654 -29.86237297 -2.08618178
-0.00042271 -0.00051236 -0.00042523
0.00515352 -0.01066303 -0.00988168
-10.02301770 2.30597224 -8.77901112
0.00118032 0.00077300 0.00070562
-0.00157134 -0.00030171 0.00019116
-11.80186405 2.56132244 -11.11406199
-0.00002799 -0.00010673 0.00004089
-0.00341436 0.00200922 0.00469108
-36.82818951 3.26571738 2.84973591
0.00033186 0.00067609 0.00088096
0.00893708 -0.03648433 -0.00499730
-37.48820349 0.45157103 3.87291271
-0.00020242 0.00020944 -0.00033478
-0.04327654 -0.02412452 0.01791793
-8.65502065 -4.14252413 1.30810013
-0.00016625 0.00053468 0.00050233
0.00750667 0.01099754 0.02128540
-6.33516756 -4.91366072 2.82793065
-0.00036062 -0.00016756 -0.00001216
0.00144052 -0.00232917 0.00470998
2.89072978 -0.10840694 7.33346416
-0.00025075 0.00016306 0.00118960
0.00021288 0.00260586 -0.00419098
1.65903537 1.76561526 9.30962981
-0.00015508 0.00047324 -0.00018628
-0.00707708 0.00799003 -0.00092828
-29.92000873 0.04372663 2.69207064
0.00075550 0.00037897 0.00069799
-0.00894943 -0.01079759 -0.00025367
-32.90527358 0.91753471 2.77788085
0.00012367 0.00038449 -0.00010391
0.04027341 0.00753047 -0.00078571
15.74728413 11.84234049 -18.42017182
0.00103372 0.00031196 -0.00011256
-0.03068924 -0.03001844 -0.00542069
18.29325911 12.40382728 -17.33663746
0.00118874 0.00000132 -0.00038385
0.00943774 -0.00439688 0.00719450
-2.95701464 6.77065285 6.21841472
0.00028705 -0.00023630 -0.00030848
-0.00227404 -0.00934054 -0.00390101
-2.92503429 5.18611237 3.74124511
0.00067797 -0.00012301 -0.00072892
-0.00325156 -0.00013735 0.01963092
5.96903966 16.55896080 -8.70982413
0.00080462 -0.00047114 -0.00057811
0.00841282 -0.01494774 -0.03410238
7.20762416 18.28594979 -6.79650687
-0.00050101 -0.00032919 0.00089120
-0.03445892 -0.03239272 -0.00026894
7.66577754 5.06418523 -22.66528170
0.00089019 0.00117566 0.00081955
-0.00523035 0.02614306 0.02304611
8.62407540 6.94010619 -20.54518038
0.00019811 -0.00000658 -0.00109740
-0.00326248 -0.00197398 0.00023414
19.27091320 21.05160505 -4.20493615
0.00061226 0.00104001 -0.00049091
0.00103488 0.01491899 0.00752966
19.40002769 19.62738872 -6.76074973
-0.00003353 0.00062187 0.00042847
0.00778250 0.00172737 -0.00356119
1.47585501 12.30985916 -20.60125477
-0.00023779 0.00027419 -0.00077367
-0.00102473 0.01466211 -0.01415846
0.60257051 14.84956376 -22.17981642
0.00070281 0.00062163 -0.00093962
-0.00320523 -0.01809514 0.01612098
10.13615263 -6.96814375 -0.25120487
-0.00093557 -0.00024182 0.00140565
0.00308082 0.00226938 -0.00174400
9.55578143 -4.09967364 -0.72570944
-0.00128464 0.00058140 -0.00013463
0.00474327 -0.00601396 0.01339050
-18.20288245 -5.29794862 6.83871475
-0.00008039 -0.00070639 -0.00064175
-0.00228032 0.00643650 -0.01898233
-18.72935697 -5.08753443 3.86211412
-0.00024242 0.00009418 -0.00002985
0.00462597 0.00452456 0.01955497
-14.35288896 -0.21775484 19.29720752
-0.00026852 0.00046783 0.00027809
-0.00470181 0.03432399 -0.03975083
-14.30306432 -0.36249823 22.23496244
-0.00067353 0.00057997 -0.00019044
-0.00118476 -0.00476539 -0.01401857
1.15727563 2.80586711 -2.54617695
-0.00030940 -0.00045950 -0.00075033
-0.00520819 -0.00001373 0.01932576
2.04030724 2.30610268 -5.10715111
-0.00007939 0.00052023 -0.00141535
-0.00573228 0.02122984 0.00253847
21.56636852 -10.58000575 -6.36972282
-0.00111205 0.00014906 -0.00097345
-0.00277729 0.00528504 0.04014105
22.61909271 -9.95736225 -3.51226766
0.00091047 0.00004703 0.00101375
0.01732923 0.00793558 -0.00253808
4.64895505 -10.42321151 6.94589819
-0.00078477 -0.00002277 0.00031753
0.01636981 0.00562425 -0.01462635
3.35955962 -11.74663417 9.01058419
0.00041654 0.00041015 0.00018897
-0.00677214 -0.00480433 0.01172274
-2.10471944 -3.20811085 -20.74747100
0.00010189 -0.00061556 -0.00002832
0.00246430 -0.02565324 -0.01234802
-3.37097648 -1.97127355 -18.52559921
0.00095002 -0.00041689 0.00020448
0.01820970 0.00544799 -0.00789294
0.74591913 4.97483788 -10.12229369
0.00038453 -0.00083386 -0.00164072
-0.00804378 -0.00604967 0.00066083
-1.48339678 3.31795650 -8.84056642
0.00070982 -0.00056813 -0.00034195
0.03276917 0.01528849 -0.04723808
-3.80527962 15.57097209 15.58759352
-0.00107277 0.00030814 -0.00036402
-0.01784411 -0.01058840 -0.00738278
-6.68597957 15.03839967 15.01889396
0.00030732 0.00034612 -0.00108064
0.00419000 -0.00004490 0.00374219
-6.72043248 2.02097257 -6.24022574
0.00043592 0.00041683 0.00044888
-0.00607519 -0.00255166 0.01190654
-4.82707506 1.38843391 -8.32040359
-0.00015877 0.00067196 -0.00007603
-0.00802111 0.01112758 0.00166680
-9.97111138 -0.82898265 -3.78270925
0.00031180 -0.00006517 -0.00050704
0.00266954 0.02681794 0.00841479
-9.63279449 2.24299565 -2.76456476
-0.00038718 0.00077400 0.00049060
0.00429141 -0.02524747 -0.01750483
3.24544279 29.01599021 4.80399083
0.00057479 0.00003951 -0.00027186
-0.00260624 -0.00877405 0.01884990
3.21403204 27.63100505 7.69075730
-0.00058805 -0.00027325 -0.00083694
-0.00411069 0.01313789 -0.04142556
8.11405249 -10.89439545 -0.97371121
-0.00118059 -0.00077319 -0.00031926
0.01970818 0.00412991 -0.01835792
10.74819749 -11.17309955 0.15569169
-0.00017139 -0.00071868 -0.00033366
-0.00108468 -0.00482275 -0.01560400
-5.50472081 -0.06928323 8.72704158
-0.00054789 -0.00049364 -0.00019316
0.04238852 -0.01687715 -0.00882119
-8.17987168 -0.07037175 9.05047108
0.00059859 0.00027180 -0.00025608
-0.01542993 0.00177276 0.00498420
20.39098880 10.96194622 8.71224659
0.00003371 -0.00040164 0.00066771
-0.01107961 -0.00151742 0.02487079
21.96308856 10.88731060 6.61457137
0.00065186 -0.00065176 0.00062738
0.06361797 0.00547195 -0.02230852
-2.84389751 -0.23560765 -22.43510811
-0.00010814 -0.00026861 -0.00064676
-0.01061136 0.04041237 -0.02577390
-4.96892011 1.38094870 -24.13083477
-0.00110900 0.00078947 -0.00001501
0.04337195 -0.01030791 0.00852255
-12.52282550 9.88343856 9.59324993
0.00049504 0.00057136 -0.00041558
0.01419588 0.00736743 0.01673742
-13.45721837 9.49813271 6.97887784
0.00002521 -0.00032345 -0.00009172
-0.00839878 -0.00749369 0.01594346
-14.61612225 4.85798989 -4.41812238
-0.00111404 -0.00012565 0.00021161
0.00630328 0.00615641 -0.00442306
-13.71983809 7.75640098 -4.09327324
0.00049190 0.00028823 -0.00110630
-0.00465842 -0.02100006 0.00652116
-4.18448360 -15.62766611 20.34606504
0.00017077 -0.00031681 0.00042496
-0.01950642 -0.00755609 -0.00258438
-1.65389033 -16.72640955 19.51337708
-0.00046997 -0.00037177 -0.00046667
-0.00195206 -0.00287643 -0.00520170
-5.34246961 6.07740023 -7.55095767
0.00004713 0.00044490 -0.00005519
-0.02340960 0.00989913 0.00505690
-7.44945465 8.35235836 -6.96308650
0.00026631 -0.00001807 0.00031004
0.00452437 -0.00710100 0.00359099
-20.92229421 29.06913282 0.81122662
-0.00017979 -0.00085475 0.00090185
-0.01146884 -0.00133450 -0.00374217
-18.11435618 29.45383198 0.51259788
0.00039400 0.00036224 -0.00112495
0.00598737 0.00170343 0.00386620
9.28059879 2.76562981 6.53599466
0.00003493 0.00069854 0.00098687
0.00435204 0.00620952 0.01264054
9.05648998 5.52117555 7.68844276
0.00048705 -0.00051161 0.00011014
0.01583477 -0.02008992 0.01566792
7.79116273 17.71833691 -12.33522354
-0.00053187 0.00061223 -0.00006481
0.00195497 -0.01860769 0.00586058
8.46596821 14.87174404 -12.22341654
-0.00053037 0.00048683 -0.00020313
-0.00447924 0.00512279 0.00398943
12.02633915 5.96795433 -1.07690104
-0.00049629 0.00062436 -0.00015725
0.03491934 -0.01700763 -0.00965902
13.61314446 3.93360973 0.25999516
0.00002984 -0.00044606 -0.00052659
0.00404831 -0.00936916 0.01549266
-4.41932330 10.86706891 -1.97066089
-0.00077797 -0.00137412 0.00057513
0.01920361 -0.01260917 0.00285624
-7.12690917 10.82276434 -0.70192441
0.00024759 -0.00055650 0.00098319
-0.00217879 -0.01263232 0.01367486
7.43142593 14.23568437 4.87491401
0.00017177 -0.00005980 0.00076605
-0.01015649 0.04776474 -0.01118168
9.17692060 12.05631054 4.16130960
0.00123702 -0.00057534 -0.00016617
-0.00578451 0.00050440 0.00604032
20.36224147 -13.13739678 -8.76460657
-0.00118265 -0.00040983 0.00036731
0.00804843 0.01468219 -0.00958198
23.17705378 -12.47088309 -9.01685346
-0.00031937 -0.00020720 -0.00132274
0.03596601 -0.01430584 0.00786878
19.86994319 -4.94600388 -2.56905954
-0.00071205 -0.00013898 -0.00007766
-0.00164143 0.00664437 -0.00876098
18.23505695 -6.84517224 -1.22373302
-0.00060825 -0.00031199 0.00011654
-0.00323385 -0.00972801 0.00358014
13.97148475 9.60332815 9.00053198
0.00000214 -0.00015716 0.00101448
0.00020138 -0.01117372 -0.00289052
15.19455334 7.64495382 10.59656239
0.00034422 0.00016721 -0.00027869
0.00676283 -0.00500456 0.01761333
2.93007825 -15.07890826 17.43998563
0.00011579 0.00080791 0.00027363
0.01912987 0.01392218 -0.02415002
3.25556650 -12.26650723 17.26135956
-0.00080379 -0.00068108 0.00034580
0.00891086 0.00628982 -0.00527729
-2.62055351 -3.78603424 -12.48403698
-0.00003617 0.00029214 -0.00005237
-0.00610276 0.01149464 -0.01444884
-0.85713386 -1.76032132 -13.49936073
0.00089859 -0.00071951 -0.00121991
0.00546511 0.00934617 -0.00400141
16.00798048 -7.48797657 -14.94340352
-0.00067878 0.00044334 -0.00077012
-0.00111584 -0.00603759 0.00137998
16.76009589 -8.33679021 -12.19848132
0.00082343 -0.00020217 0.00020519
-0.00411883 0.00942297 -0.00428012
8.07422498 -3.58060577 5.94661852
-0.00036776 0.00098469 -0.00094206
0.00632317 0.00240632 0.01396154
10.52496551 -4.43319584 5.17586606
0.00071737 -0.00065153 0.00030626
0.02623390 -0.00837156 -0.01679539
-20.92588052 0.60954849 25.24394173
-0.00002335 -0.00102570 0.00035237
-0.03329826 -0.02282284 0.00226982
-19.38293925 2.84699720 26.06861393
-0.00089888 -0.00063096 0.00021631
0.00166864 -0.00925813 -0.01120062
25.22506855 -2.63729341 -7.38775503
0.00003160 -0.00050998 -0.00089791
0.00342656 -0.00675288 -0.00226793
23.50925126 -0.90095346 -9.04332502
0.00005953 0.00006129 -0.00034530
0.00313888 0.00258086 -0.01874447
11.89489997 -10.20683262 -9.48454341
0.00048895 -0.00111487 0.00025567
-0.00214341 -0.00907604 -0.02062471
12.97437798 -9.42734904 -12.08165888
-0.00037744 0.00005860 -0.00023485
0.00091348 0.01084869 -0.00545550
-7.25647263 -10.74868617 17.43607735
0.00041776 -0.00028970 0.00013494
-0.03139341 0.00439700 -0.00852577
-10.21500090 -10.54275603 17.65684484
0.00041763 0.00139490 0.00010761
-0.00439336 -0.00079478 0.00907557
8.17840242 1.50361710 -29.38462132
-0.00036285 -0.00114524 0.00022786
-0.01147011 0.00510162 0.01110431
5.43146539 0.78351144 -28.34626371
0.00035944 0.00042584 0.00010025
-0.02038259 -0.01114165 -0.01343208
14.09689407 19.38669481 13.73994186
0.00009067 0.00019693 0.00039179
-0.01411187 -0.01460609 -0.02006234
13.17419071 17.70409507 11.29337855
0.00075330 -0.00022905 -0.00030592
0.00107874 0.01985642 0.03413765
27.76012334 7.75479009 -11.54115123
0.00020900 0.00024473 0.00027660
0.02498029 0.00203368 -0.00816671
26.03975530 7.62706021 -9.19055825
0.00032929 0.00008088 0.00026149
0.00531864 0.00159056 -0.01574881
-7.85013611 4.72173766 6.13775576
0.00011590 0.00003817 0.00010457
-0.00211473 -0.00500926 0.00269034
-10.35074813 9.14291797 3.01287702
0.00026051 -0.00009968 0.00021903
0.00877035 -0.00328380 0.00938294
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.07436023
0.29234448
389.53435881
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0586482558
ExchangeOperator: pair fraction: ispin=0: 0.1454407788
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3347049560 (a.u.)
total exchange computation time: 2.9047350883 s
-153.9616186080
-931.36665519
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0586482558
ExchangeOperator: pair fraction: ispin=0: 0.1454407788
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.3345846884 (a.u.)
total exchange computation time: 2.9025809765 s
-153.9625997333
Anderson extrapolation: theta=1.3579746173 (1.3579746173)
-931.36686856
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0586482558
ExchangeOperator: pair fraction: ispin=0: 0.1454407788
ExchangeOperator: bisection time: 1.427 s
total exchange = -52.3343420968 (a.u.)
total exchange computation time: 2.9038629532 s
-153.9644459442
Anderson extrapolation: theta=0.0570912476 (0.0570912476)
-931.36699803
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0586482558
ExchangeOperator: pair fraction: ispin=0: 0.1454407788
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3342606757 (a.u.)
total exchange computation time: 2.9072580338 s
-153.9650286010
Anderson extrapolation: theta=2.1314168547 (2.0000000000)
-931.36700396
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0586482558
ExchangeOperator: pair fraction: ispin=0: 0.1454407788
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3340693102 (a.u.)
total exchange computation time: 2.9036200047 s
-153.9663283774
Anderson extrapolation: theta=0.3081188631 (0.3081188631)
-931.36701145
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0586482558
ExchangeOperator: pair fraction: ispin=0: 0.1454407788
ExchangeOperator: bisection time: 1.422 s
total exchange = -52.3340000164 (a.u.)
total exchange computation time: 2.9042119980 s
-153.9667294137
Anderson extrapolation: theta=1.4093409353 (1.4093409353)
-931.36701336
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0586482558
ExchangeOperator: pair fraction: ispin=0: 0.1454407788
ExchangeOperator: bisection time: 1.422 s
total exchange = -52.3339140334 (a.u.)
total exchange computation time: 2.9050049782 s
-153.9671455378
Anderson extrapolation: theta=0.3706481651 (0.3706481651)
-931.36701533
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0586482558
ExchangeOperator: pair fraction: ispin=0: 0.1454407788
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3338969047 (a.u.)
total exchange computation time: 2.9045751095 s
-153.9671461217
Anderson extrapolation: theta=0.9920959092 (0.9920959092)
-931.36701595
64.520399 27.586363 -167.085953
561.647305 1074.513980 -406.189177
626.167704 1102.100343 -573.275129
1391.170562
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0586482558
ExchangeOperator: pair fraction: ispin=0: 0.1454407788
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.3338926913 (a.u.)
total exchange computation time: 2.9065561295 s
678.25829986
-1082.66568333
89.84117767
-389.77608874
-174.69082917
77.62861104
551.60419304
0.00000000
-931.36701639
4.56346109 -30.94076050 -3.49611081
-0.00005723 -0.00015846 0.00008737
-0.00524730 -0.00864597 0.01031363
-11.74550327 2.11151407 -9.31608807
0.00017804 0.00008115 0.00015700
0.00744016 0.00187692 -0.00177439
-36.21455587 1.37393836 3.13132435
0.00005036 0.00013972 0.00008298
0.03396775 0.05712825 -0.01709222
-7.44464198 -3.47809609 2.63488978
0.00011176 0.00007975 0.00002928
-0.00859740 -0.01400508 -0.02035084
2.25302295 0.07953503 9.02204431
0.00004528 -0.00025080 0.00004032
-0.00295487 -0.01317404 0.01410929
-31.05183759 1.47939396 2.61132081
-0.00022399 0.00016898 -0.00016914
-0.02951093 0.00756186 0.00576138
16.87240721 13.16419661 -18.21253228
-0.00035525 -0.00013416 -0.00048947
0.03233475 0.04615490 0.00659835
-3.44022289 5.11232562 5.53052923
-0.00008580 -0.00017466 0.00000199
0.00823386 0.01162020 -0.02628277
5.73201069 17.05036412 -7.00527595
-0.00015276 -0.00002320 -0.00004197
0.02536900 0.04651913 0.02925413
7.24459394 5.75273167 -20.90760854
-0.00008747 0.00003040 0.00022250
0.00745082 -0.01124841 -0.01367889
18.61146640 19.62146977 -5.13967943
-0.00007335 -0.00027130 -0.00015435
-0.00476752 -0.01287018 0.00207500
1.95161973 13.99155688 -21.22310445
-0.00000078 0.00019804 -0.00006613
0.00324967 0.01132752 0.00271404
10.46795545 -5.29254906 0.43206505
0.00035439 -0.00005089 0.00009779
-0.01178054 0.00844339 -0.01742061
-17.99430024 -4.20744883 5.34392286
0.00061700 -0.00039578 0.00004854
-0.00000698 -0.01430149 -0.00124519
-14.28620757 -1.33848611 20.64310544
-0.00004858 -0.00002103 0.00016436
0.00478807 -0.02966535 0.05023264
1.59703502 3.76257586 -4.01018207
-0.00000467 -0.00000906 -0.00005949
0.01029934 -0.02401337 -0.02457866
21.25487097 -10.61778182 -4.47170818
-0.00010933 0.00004868 -0.00003445
-0.00971954 -0.00169051 -0.03118660
3.06429088 -10.43844358 7.78081185
0.00012896 -0.00020497 -0.00035252
-0.01860353 -0.00010901 0.00604713
-1.90751333 -1.78747230 -19.66635476
-0.00021672 0.00010788 -0.00030804
-0.01603897 0.01027623 0.01471322
-0.48300789 3.65196297 -10.49479848
-0.00043490 0.00033112 -0.00001519
-0.02390651 -0.00850226 0.04266729
-4.98123325 14.69385216 14.46032564
0.00009540 0.00019635 -0.00002684
0.01401268 0.00477724 -0.00462757
-5.35984961 2.76478108 -7.21535908
0.00016730 0.00002448 0.00022564
0.01270412 -0.01136434 -0.01043780
-9.24663940 0.86021931 -4.03719363
-0.00001907 0.00010645 0.00008526
0.00333973 0.00394013 0.00235994
2.87810694 27.49334096 5.81744011
-0.00003833 0.00000723 0.00009781
0.00694354 0.00522158 0.01701044
9.91529941 -10.83316815 -1.50352896
-0.00020437 -0.00007704 0.00011589
-0.03280738 0.00875414 0.01910245
-6.76690737 1.03979890 9.28082828
-0.00004618 0.00008912 0.00005527
-0.02237219 0.01636844 0.00334520
20.25139320 10.80489802 6.92583861
-0.00041239 -0.00007509 -0.00020710
-0.03783412 -0.00695072 0.00493766
-3.07620880 1.08292700 -23.88946745
0.00013194 -0.00015936 -0.00007208
-0.03844327 -0.02311889 0.01814411
-13.61724847 8.76486834 8.68359011
0.00026844 -0.00021935 0.00023192
-0.01818359 -0.01202193 -0.03312475
-13.58525767 6.02539727 -3.42210949
-0.00016035 -0.00019974 -0.00023452
-0.00195786 0.01016283 -0.01157019
-2.42401001 -15.43568489 20.52953506
-0.00031990 -0.00006975 -0.00000360
0.01980331 0.00744908 0.01066198
-5.99780024 7.78020475 -7.92501967
0.00007400 0.00037076 0.00022594
0.01919812 -0.00074435 -0.01680774
-19.65035882 30.34702891 0.92212747
0.00027228 -0.00015606 -0.00014510
-0.00081557 -0.00074984 0.00504662
9.85488683 3.81203832 7.96411705
-0.00005996 -0.00000142 -0.00015782
-0.00966696 0.01163476 -0.01873941
7.24743532 16.10362094 -11.60178992
0.00015898 0.00015979 0.00010969
-0.00194763 0.01433658 -0.01085974
13.62239610 4.93555570 -1.25436892
-0.00025841 -0.00045277 -0.00000410
-0.03684437 0.02908273 -0.00764485
-6.07118525 11.56766005 -1.94193496
0.00011559 0.00042279 0.00032807
-0.00309329 0.02176366 -0.00415793
7.77861992 12.57671649 5.27267095
-0.00035082 -0.00010596 0.00010808
0.02241012 -0.04489765 -0.00507094
21.57756660 -11.93738681 -9.52271520
-0.00045058 0.00020992 0.00027102
-0.05922690 0.00054756 0.00002320
19.76795880 -5.88834961 -1.00594138
-0.00007568 0.00020660 0.00052864
-0.00055883 0.00371569 0.00143515
14.88897729 8.01809076 8.85702568
0.00044777 -0.00003709 0.00028013
-0.00368854 0.01294443 -0.01212079
3.84332049 -13.76596646 16.37756843
0.00002901 -0.00000539 -0.00010866
-0.02580509 -0.02414035 0.02282091
-2.59414398 -2.33046808 -13.63824876
-0.00008526 0.00019190 0.00023662
0.00194093 -0.01750669 0.01605734
15.50761322 -7.39258960 -13.16723306
-0.00005853 -0.00006245 0.00000117
0.00672812 -0.00675330 0.00434082
9.79718164 -3.76378679 6.65573548
0.00025456 -0.00018233 -0.00021970
-0.03817624 0.01231574 -0.00565523
-19.40523834 1.40668216 24.84816608
0.00007230 0.00010034 -0.00010109
0.02036440 0.02335981 0.00640388
24.17054668 -1.13199505 -7.39428074
-0.00035032 0.00035011 0.00017648
0.00257492 0.00009168 0.01981076
11.62675610 -10.43776335 -11.34862398
0.00005850 0.00028764 -0.00017167
0.00566651 0.01487536 0.03872822
-8.89741972 -10.71831983 16.42258141
-0.00017868 0.00015888 -0.00035136
0.01952066 -0.00155018 -0.01177816
6.96048916 1.59084910 -27.91425497
0.00036700 -0.00000785 -0.00011954
0.03219631 0.00943798 -0.00044307
12.62945300 18.63154682 12.85754906
-0.00011286 -0.00029730 -0.00026698
0.01844435 -0.00778440 -0.01191749
26.03269768 7.55441485 -11.08451905
-0.00002269 -0.00000414 -0.00002216
-0.01679962 -0.00615671 0.02810501
5.13616755 -29.89832193 -4.87961986
-0.00021433 -0.00025422 -0.00004724
0.00174204 0.01175136 -0.00042668
4.02513383 -29.87038507 -2.09286303
-0.00040315 -0.00055120 -0.00046001
0.00442273 -0.00834884 -0.00714440
-10.00536099 2.31755801 -8.76842094
0.00115606 0.00076983 0.00069983
-0.01030749 -0.00125243 -0.00302457
-11.80238857 2.55978306 -11.11330487
-0.00004054 -0.00009873 0.00006149
-0.00272799 0.00190491 0.00539289
-36.82293774 3.27474075 2.86279715
0.00036858 0.00052417 0.00085966
0.00903581 -0.03788258 -0.00542887
-37.49256598 0.45397342 3.86844013
-0.00037836 0.00011185 -0.00026229
-0.04284575 -0.02364796 0.01756489
-8.65728430 -4.13416696 1.31628730
-0.00013768 0.00057799 0.00058622
0.00647625 0.01020403 0.01977887
-6.34053272 -4.91624546 2.82789257
-0.00035383 -0.00017808 0.00000701
0.00188478 -0.00281971 0.00467402
2.88697499 -0.10588125 7.35117970
-0.00024188 0.00017096 0.00115324
0.00413263 0.00126180 -0.01360514
1.65649232 1.77295865 9.30680716
-0.00018078 0.00049424 -0.00019086
-0.00550431 0.00229215 -0.00131520
-29.90895048 0.04908027 2.70253268
0.00071313 0.00033996 0.00069644
-0.01178998 -0.00829581 -0.00050538
-32.90218443 0.92353280 2.77629805
0.00028424 0.00041265 -0.00010658
0.03832731 0.00625549 -0.00051902
15.76184959 11.84610005 -18.42202628
0.00089267 0.00016998 -0.00013741
-0.03835829 -0.03948144 -0.00674563
18.31137938 12.40371228 -17.34217474
0.00121295 -0.00000932 -0.00036216
0.00241651 -0.00081118 0.00342277
-2.95277863 6.76682209 6.21366796
0.00027777 -0.00027303 -0.00032330
-0.00226772 -0.00863898 -0.00335328
-2.91496439 5.18426298 3.73091289
0.00066079 -0.00012452 -0.00063750
-0.00515822 -0.00060132 0.02511915
5.98136675 16.55143571 -8.71954071
0.00083820 -0.00052799 -0.00070470
0.00802502 -0.01288467 -0.02786772
7.19905307 18.28001931 -6.78314711
-0.00063820 -0.00045859 0.00088947
-0.03269798 -0.03094753 -0.00057952
7.67897006 5.08262119 -22.65228219
0.00086691 0.00127542 0.00090527
-0.00616593 0.02269266 0.01891501
8.62694710 6.93994696 -20.56163414
0.00018442 -0.00001267 -0.00109226
-0.00343965 -0.00100453 0.00227822
19.28012876 21.06766237 -4.21206906
0.00060889 0.00108747 -0.00046568
-0.00268168 0.00831143 0.00481768
19.39976326 19.63676977 -6.75443174
0.00000143 0.00062702 0.00040484
0.00932957 0.00079369 -0.00800927
1.47225681 12.31442138 -20.61329365
-0.00024322 0.00033057 -0.00083013
-0.00163350 0.01293531 -0.01347820
0.61301443 14.85833368 -22.19341676
0.00068990 0.00054651 -0.00087248
-0.00311390 -0.01867479 0.01674735
10.12221344 -6.97170146 -0.23017357
-0.00092297 -0.00023298 0.00139749
0.00308730 0.00205697 -0.00224931
9.53665723 -4.09113700 -0.72731856
-0.00125733 0.00054766 -0.00007144
0.00862518 -0.01050012 0.01754066
-18.20415813 -5.30834724 6.82850681
-0.00008945 -0.00068195 -0.00071482
-0.00215839 0.00552568 -0.01678510
-18.73285158 -5.08598314 3.86226553
-0.00022211 0.00011380 0.00005054
0.00531970 0.00508206 0.01979630
-14.35706082 -0.20968567 19.30016074
-0.00028721 0.00060289 0.00011940
-0.00444743 0.03179233 -0.03792820
-14.31320357 -0.35394476 22.23167631
-0.00067775 0.00055927 -0.00024617
-0.00088357 -0.00536343 -0.01326072
1.15247502 2.79897413 -2.55683977
-0.00033127 -0.00046247 -0.00066921
-0.00549909 -0.00143786 0.02038776
2.03894080 2.31455674 -5.12830355
-0.00010412 0.00060961 -0.00140047
-0.00637749 0.02251822 0.00474461
21.54960263 -10.57760796 -6.38309455
-0.00112145 0.00017085 -0.00080267
-0.00182156 0.00538520 0.04345980
22.63328077 -9.95641365 -3.49713911
0.00096408 0.00007127 0.00098900
0.00891421 0.00393265 -0.00957757
4.63768512 -10.42338068 6.95021288
-0.00070068 0.00000074 0.00024789
0.02479221 0.00588220 -0.01945865
3.36560026 -11.74062915 9.01377790
0.00038863 0.00039035 0.00023702
-0.00689067 -0.00488692 0.01179961
-2.10311565 -3.21813041 -20.74827418
0.00011248 -0.00071476 -0.00007495
0.00272193 -0.02290418 -0.01047831
-3.35616813 -1.97736002 -18.52277385
0.00101767 -0.00039511 0.00017683
0.01490521 0.00521418 -0.00564381
0.75144066 4.96214459 -10.14688417
0.00035697 -0.00085147 -0.00163362
-0.00545169 -0.00257004 0.00281292
-1.47174532 3.30990300 -8.84714321
0.00084052 -0.00050466 -0.00052833
0.03121086 0.01578100 -0.04399505
-3.82191802 15.57526970 15.58190697
-0.00113612 0.00027135 -0.00038628
-0.01316376 -0.00741916 -0.00351371
-6.68124141 15.04359002 15.00279903
0.00031675 0.00034707 -0.00106349
0.00042767 0.00051111 0.00465487
-6.71407992 2.02714688 -6.23312764
0.00040879 0.00040430 0.00049875
-0.00720238 -0.00358551 0.01250245
-4.82970241 1.39885436 -8.32149300
-0.00019034 0.00071246 -0.00007253
-0.00743344 0.00869427 0.00004791
-9.96635255 -0.82913847 -3.79005693
0.00032173 0.00004311 -0.00047174
0.00219280 0.02618719 0.00886247
-9.63847076 2.25383198 -2.75774216
-0.00036803 0.00066545 0.00041419
0.00508644 -0.02788648 -0.01989615
3.25398485 29.01631400 4.80049060
0.00056315 0.00000012 -0.00019250
-0.00309279 -0.01050605 0.01999414
3.20508534 27.62730890 7.67693382
-0.00060186 -0.00021800 -0.00099358
-0.00264804 0.01390879 -0.03525117
8.09694755 -10.90586676 -0.97906259
-0.00108946 -0.00075541 -0.00039567
0.02490260 0.00457289 -0.01904755
10.74559334 -11.18402754 0.15020869
-0.00017571 -0.00073816 -0.00039436
-0.00102660 -0.00471086 -0.01410923
-5.51164025 -0.07720494 8.72387390
-0.00037519 -0.00055968 -0.00022804
0.04215139 -0.01544948 -0.00825331
-8.17136573 -0.06624050 9.04678258
0.00052616 0.00027429 -0.00023616
-0.02002500 -0.00054993 0.00476562
20.39115498 10.95587505 8.72302442
-0.00001363 -0.00040883 0.00075459
-0.01209655 -0.00200179 0.01765411
21.97481589 10.87770182 6.62329840
0.00089258 -0.00063044 0.00053970
0.05421559 0.00496536 -0.02061061
-2.84584471 -0.23839849 -22.44559925
-0.00015146 -0.00010608 -0.00074881
-0.01059659 0.03914815 -0.02418290
-4.98422609 1.39247489 -24.13079884
-0.00091887 0.00074396 0.00002123
0.04969783 -0.01196772 0.00922144
-12.51496492 9.89223473 9.58752913
0.00055001 0.00059854 -0.00034902
0.01271280 0.00593631 0.01584472
-13.45709761 9.49305128 6.97799066
-0.00000977 -0.00035531 -0.00002445
-0.00872500 -0.00810223 0.01698207
-14.63263974 4.85629380 -4.41508384
-0.00108588 -0.00009867 0.00019509
0.00748422 0.00705182 -0.00366240
-13.71260241 7.76008087 -4.10966798
0.00047330 0.00019378 -0.00107604
-0.00444190 -0.02523325 0.00829433
-4.18251975 -15.63264974 20.35236031
0.00008229 -0.00034853 0.00041390
-0.02380482 -0.00797114 -0.00283269
-1.66099964 -16.73207419 19.50621758
-0.00047991 -0.00037851 -0.00048398
-0.00291452 -0.00042543 -0.00326765
-5.34248004 6.08437714 -7.55163058
-0.00004742 0.00048308 -0.00003407
-0.02287098 0.00878899 0.00528185
-7.44532136 8.35186967 -6.95832588
0.00028187 -0.00004587 0.00032627
0.00309266 -0.00650646 0.00435357
-20.92534247 29.05627061 0.82463976
-0.00021634 -0.00085179 0.00088687
-0.00642492 0.00278684 -0.00359236
-18.10826264 29.45931772 0.49584204
0.00041615 0.00036880 -0.00110865
0.00485456 0.00151029 0.00411404
9.28125609 2.77629818 6.55118505
0.00004728 0.00071291 0.00102450
0.00169272 0.00082630 0.00577744
9.06428092 5.51288572 7.69057492
0.00054792 -0.00058571 0.00017304
0.01396202 -0.01617867 0.01512543
7.78324454 17.72695020 -12.33601616
-0.00052407 0.00053282 -0.00003987
0.00186546 -0.02026311 0.00634707
8.45787545 14.87920350 -12.22634119
-0.00054242 0.00050241 -0.00018995
-0.00142114 0.00250418 0.00246215
12.01996479 5.97679852 -1.07955580
-0.00034695 0.00054916 -0.00019622
0.03818430 -0.01980155 -0.00941669
13.61371608 3.92663180 0.25257105
0.00004511 -0.00048713 -0.00045700
0.00342631 -0.01073581 0.01857218
-4.43040438 10.84607071 -1.96194637
-0.00069695 -0.00142495 0.00058488
0.02045751 -0.01227106 0.00191341
-7.12326210 10.81402978 -0.68675756
0.00024427 -0.00060098 0.00102891
0.00055475 -0.00914435 0.00870717
7.43369119 14.23625110 4.88606208
0.00013105 0.00013802 0.00071953
-0.00977276 0.04906723 -0.01158799
9.19529870 12.04769591 4.15900215
0.00119870 -0.00056719 -0.00013042
-0.01297657 0.00348390 0.01146011
20.34474835 -13.14309434 -8.75939056
-0.00114118 -0.00034310 0.00032394
0.01225225 0.01798213 -0.01164601
23.17336541 -12.47442948 -9.03645339
-0.00017046 -0.00026774 -0.00129012
0.03692278 -0.01532840 0.00809533
19.85921221 -4.94788502 -2.57049288
-0.00071808 -0.00011343 -0.00010940
-0.00131445 0.00586481 -0.00677506
18.22583410 -6.85015015 -1.22187526
-0.00061123 -0.00034617 0.00013356
0.00177407 -0.00700569 0.00475456
13.97152307 9.60062840 9.01566059
0.00000368 -0.00020405 0.00100124
0.00055321 -0.01177872 -0.00359038
15.19992394 7.64730856 10.59292182
0.00037405 0.00014362 -0.00019812
0.00783849 -0.00654038 0.02182520
2.93240127 -15.06636299 17.44335002
0.00019222 0.00085856 0.00017610
0.01828633 0.01087299 -0.02358979
3.24378265 -12.27653070 17.26638480
-0.00076698 -0.00065194 0.00032285
0.00910768 0.00797499 -0.00595493
-2.62128301 -3.78129993 -12.48526524
-0.00006102 0.00033598 -0.00010862
-0.00606418 0.00996470 -0.01308578
-0.84348751 -1.77082759 -13.51778198
0.00091250 -0.00068374 -0.00123593
0.00134366 0.00816333 -0.00383919
15.99776461 -7.48151141 -14.95491307
-0.00068396 0.00041791 -0.00075644
-0.00141962 -0.00641109 0.00531818
16.77232118 -8.33953404 -12.19553466
0.00079908 -0.00015827 0.00018063
-0.00780261 0.01206957 -0.00774131
8.06890234 -3.56576172 5.93291538
-0.00032937 0.00099179 -0.00088160
0.01246776 0.00107142 0.01563823
10.53652989 -4.44322530 5.17994529
0.00082283 -0.00068577 0.00023724
0.02539101 -0.00838734 -0.01699096
-20.92725106 0.59346358 25.24929688
-0.00014645 -0.00111323 0.00035764
-0.02696105 -0.02002041 0.00031014
-19.39637137 2.83724908 26.07151528
-0.00089066 -0.00066467 0.00017271
0.00235784 -0.00724391 -0.01014022
25.22564751 -2.64515010 -7.40129318
0.00003881 -0.00052651 -0.00090502
0.00010197 -0.00133521 -0.00121252
23.51024045 -0.89995499 -9.04907887
0.00007334 0.00007230 -0.00041688
0.00362036 0.00280714 -0.01629443
11.90216853 -10.22383384 -9.48134033
0.00048017 -0.00115079 0.00016791
-0.00215606 -0.00850360 -0.02233502
12.96874444 -9.42613767 -12.08534880
-0.00036911 0.00010652 -0.00025845
0.00316285 0.01261095 -0.00609848
-7.25116824 -10.75289687 17.43784019
0.00028401 -0.00027100 0.00009608
-0.03407685 0.00475441 -0.01049639
-10.20887112 -10.52185692 17.65873704
0.00039905 0.00139148 0.00014404
-0.00470060 -0.00087894 0.00875682
8.17260813 1.48659475 -29.38086321
-0.00040412 -0.00112327 0.00026843
-0.00873137 0.00565506 0.00875681
5.43623242 0.78955767 -28.34517154
0.00027243 0.00037855 0.00004543
-0.02221190 -0.01200929 -0.01340319
14.09782171 19.38920118 13.74520398
0.00002663 0.00013410 0.00030601
-0.01723641 -0.01614857 -0.02193056
13.18552333 17.70126772 11.28983578
0.00075644 -0.00014726 -0.00016505
0.00045584 0.02018428 0.03481895
27.76402383 7.75852340 -11.53725253
0.00030769 0.00025254 0.00024309
0.02332961 0.00178811 -0.00823295
26.04485761 7.62832219 -9.18711853
0.00034983 0.00008715 0.00019456
0.00473782 0.00147838 -0.01701166
-7.84840335 4.72229679 6.13933148
0.00011513 0.00003639 0.00010552
-0.00215341 -0.00495411 0.00266052
-10.34682518 9.14141711 3.01617873
0.00026253 -0.00010044 0.00022118
0.00865202 -0.00330996 0.00914621
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.07436437
0.29265202
389.94414702
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0586482558
ExchangeOperator: pair fraction: ispin=0: 0.1454407788
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3251661188 (a.u.)
total exchange computation time: 2.9099168777 s
-153.9263126557
-931.36661265
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0586482558
ExchangeOperator: pair fraction: ispin=0: 0.1454407788
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3251724267 (a.u.)
total exchange computation time: 2.9103920460 s
-153.9264667538
Anderson extrapolation: theta=1.3444397161 (1.3444397161)
-931.36681986
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0586482558
ExchangeOperator: pair fraction: ispin=0: 0.1454407788
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3251235222 (a.u.)
total exchange computation time: 2.9115309715 s
-153.9271228208
Anderson extrapolation: theta=0.0508706020 (0.0508706020)
-931.36694233
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0586482558
ExchangeOperator: pair fraction: ispin=0: 0.1454407788
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3250711033 (a.u.)
total exchange computation time: 2.9086270332 s
-153.9275763451
Anderson extrapolation: theta=1.9539784560 (1.9539784560)
-931.36694685
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0586482558
ExchangeOperator: pair fraction: ispin=0: 0.1454407788
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.3249482826 (a.u.)
total exchange computation time: 2.9128479958 s
-153.9285705167
Anderson extrapolation: theta=0.2270911909 (0.2270911909)
-931.36695182
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0586482558
ExchangeOperator: pair fraction: ispin=0: 0.1454407788
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.3249123660 (a.u.)
total exchange computation time: 2.9114959240 s
-153.9288039525
Anderson extrapolation: theta=1.8873602578 (1.8873602578)
-931.36695285
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0586482558
ExchangeOperator: pair fraction: ispin=0: 0.1454407788
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3248557825 (a.u.)
total exchange computation time: 2.9092860222 s
-153.9291052236
Anderson extrapolation: theta=0.2855611214 (0.2855611214)
-931.36695416
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0586482558
ExchangeOperator: pair fraction: ispin=0: 0.1454407788
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3248516674 (a.u.)
total exchange computation time: 2.9132599831 s
-153.9290574695
Anderson extrapolation: theta=1.3032597874 (1.3032597874)
-931.36695448
64.586657 27.577209 -167.069528
561.619209 1074.519141 -406.248212
626.205866 1102.096349 -573.317740
1391.202135
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0586482558
ExchangeOperator: pair fraction: ispin=0: 0.1454407788
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3248554154 (a.u.)
total exchange computation time: 2.8169009686 s
678.11687623
-1082.36741087
89.85431198
-389.97858112
-174.66729554
77.46425141
551.60419304
0.00000000
-931.36695474
4.56258242 -30.94317072 -3.49476044
-0.00005962 -0.00016352 0.00009190
-0.00403700 -0.01105647 0.00727590
-11.74280392 2.11273860 -9.31373985
0.00018377 0.00008236 0.00015665
0.01482965 0.00280275 0.00039853
-36.21366942 1.37625447 3.13250315
0.00006721 0.00016881 0.00007463
0.03154470 0.05599541 -0.01540514
-7.44299873 -3.47695381 2.63525049
0.00010762 0.00007293 0.00001931
-0.00749363 -0.01251223 -0.01841085
2.25369072 0.07572219 9.02270354
0.00004234 -0.00025580 0.00005010
-0.00847057 -0.00625390 0.02390204
-31.05531128 1.48195782 2.60880591
-0.00023767 0.00017252 -0.00016618
-0.02367748 0.00619074 0.00575000
16.86720319 13.16236229 -18.21984893
-0.00033528 -0.00010917 -0.00048483
0.04530335 0.05099865 0.01146652
-3.44147811 5.10975051 5.53045775
-0.00008115 -0.00016881 -0.00001285
0.00984568 0.01112285 -0.03145064
5.72981715 17.05019551 -7.00579267
-0.00014027 -0.00000045 -0.00002874
0.02319651 0.04195601 0.02218268
7.24331067 5.75314422 -20.90432385
-0.00008339 0.00002534 0.00021613
0.00840147 -0.00841621 -0.01106436
18.61034775 19.61735061 -5.14198664
-0.00007527 -0.00027606 -0.00015149
-0.00268929 -0.00563936 0.00905325
1.95162051 13.99457112 -21.22408586
0.00000103 0.00020447 -0.00006502
0.00380781 0.01370908 0.00157590
10.47322587 -5.29327991 0.43346470
0.00034743 -0.00004544 0.00008803
-0.01528104 0.01276975 -0.02053772
-17.98504523 -4.21344063 5.34464615
0.00061681 -0.00040290 0.00004726
-0.00074215 -0.01338448 -0.00372119
-14.28691779 -1.33891593 20.64576467
-0.00004626 -0.00003524 0.00018903
0.00421938 -0.02561685 0.04569872
1.59700472 3.76234730 -4.01116928
0.00000077 -0.00002136 -0.00007272
0.01085815 -0.02382385 -0.02686202
21.25319357 -10.61705812 -4.47234525
-0.00011247 0.00004870 -0.00004941
-0.00248729 0.00176058 -0.02698301
3.06615355 -10.44151848 7.77554736
0.00011739 -0.00020517 -0.00034823
-0.02640252 -0.00070014 0.01062951
-1.91082601 -1.78581442 -19.67091861
-0.00022407 0.00011237 -0.00030172
-0.01253868 0.00719231 0.00988331
-0.48962354 3.65689696 -10.49486177
-0.00044726 0.00032595 0.00000506
-0.02417290 -0.01159667 0.03606603
-4.97974813 14.69681585 14.45990521
0.00010225 0.00019776 -0.00003055
0.01261870 0.00068388 -0.00980408
-5.35729108 2.76510439 -7.21201474
0.00017381 0.00001956 0.00022063
0.01261449 -0.00773369 -0.00902833
-9.24691254 0.86183127 -4.03590568
-0.00001728 0.00010934 0.00008681
0.00361031 0.00728382 0.00368637
2.87755874 27.49346961 5.81897283
-0.00003506 0.00001007 0.00010439
0.00576733 0.00582346 0.00858106
9.91210730 -10.83428999 -1.50171698
-0.00022238 -0.00007264 0.00012537
-0.03721286 0.00836531 0.01776058
-6.76768631 1.04119890 9.28167026
-0.00005619 0.00009749 0.00005678
-0.01655513 0.01615838 0.00251909
20.24506135 10.80374483 6.92275119
-0.00042864 -0.00007840 -0.00020322
-0.02533416 -0.00592751 0.01013408
-3.07437800 1.08044737 -23.89047869
0.00011087 -0.00017041 -0.00006355
-0.04347923 -0.01982181 0.01503327
-13.61329208 8.76153167 8.68694118
0.00025962 -0.00022491 0.00021514
-0.01610563 -0.00960231 -0.03214023
-13.58767054 6.02244041 -3.42567190
-0.00016160 -0.00019374 -0.00024093
-0.00288701 0.01316537 -0.01335123
-2.42873212 -15.43670243 20.52952218
-0.00030861 -0.00006647 0.00000144
0.02411463 0.00531624 0.00891805
-5.99661619 7.78576329 -7.92169544
0.00008411 0.00037055 0.00021709
0.02011510 -0.00008493 -0.01758098
-19.64627777 30.34468508 0.91997045
0.00027086 -0.00015745 -0.00014259
-0.00470775 -0.00463640 0.00470543
9.85395007 3.81206192 7.96167752
-0.00006363 0.00000485 -0.00016534
-0.00458482 0.01276038 -0.01053290
7.24981250 16.10607304 -11.60018650
0.00015714 0.00016816 0.00010446
-0.00519082 0.01820599 -0.00945724
13.61837782 4.92887633 -1.25445986
-0.00027779 -0.00043700 -0.00000872
-0.03852925 0.03223050 -0.01033300
-6.06946332 11.57408586 -1.93703000
0.00011316 0.00043288 0.00032736
-0.00635513 0.01745688 0.00141909
7.77344409 12.57495396 5.27427266
-0.00033786 -0.00012948 0.00010427
0.02798537 -0.04658150 -0.00977771
21.57057951 -11.93423592 -9.51864974
-0.00048173 0.00020960 0.00027152
-0.06193827 -0.00177042 0.00190844
19.76682138 -5.88523634 -0.99800622
-0.00007727 0.00020807 0.00052847
-0.00559020 0.00203139 -0.00208930
14.89567964 8.01758429 8.86118084
0.00044555 -0.00003001 0.00027315
-0.00493617 0.01459160 -0.01499915
3.84365611 -13.76614049 16.37602652
0.00001601 -0.00001728 -0.00009707
-0.02475568 -0.02208606 0.02224425
-2.59541533 -2.32765709 -13.63463759
-0.00008318 0.00018372 0.00024440
0.00612326 -0.01431829 0.01419985
15.50676121 -7.39355238 -13.16719879
-0.00005418 -0.00006642 0.00000319
0.01020800 -0.00868665 0.00351651
9.80085282 -3.76647426 6.65241813
0.00023387 -0.00017581 -0.00022312
-0.04230125 0.01306343 -0.00763410
-19.40407524 1.40827739 24.84667443
0.00008075 0.00011086 -0.00009762
0.01249094 0.01753580 0.00709666
24.16530184 -1.12674310 -7.39155708
-0.00034831 0.00034876 0.00018561
0.00523916 -0.00531251 0.01567620
11.62765553 -10.43339135 -11.35104959
0.00006092 0.00029468 -0.00015131
0.00372377 0.01248362 0.04043067
-8.90002465 -10.71594258 16.41726552
-0.00016811 0.00015803 -0.00035671
0.02157048 -0.00176870 -0.00902516
6.96611842 1.59076777 -27.91604974
0.00038290 -0.00000304 -0.00011905
0.02960045 0.00925871 0.00234908
12.62783123 18.62705722 12.85349837
-0.00010263 -0.00030096 -0.00027273
0.02135559 -0.00642788 -0.01043350
26.03229249 7.55432902 -11.08474309
-0.00003061 -0.00000717 -0.00000752
-0.01400508 -0.00562609 0.02885091
5.13300598 -29.90177513 -4.88034158
-0.00020748 -0.00020626 -0.00004886
0.00160938 0.01172586 -0.00036605
4.01922218 -29.87890884 -2.09998214
-0.00038691 -0.00058006 -0.00048290
0.00352243 -0.00577961 -0.00405870
-9.98833599 2.32906701 -8.75801612
0.00109784 0.00076280 0.00068139
-0.01819110 -0.00218665 -0.00600280
-11.80308029 2.55836044 -11.11221724
-0.00005027 -0.00009108 0.00008468
-0.00203490 0.00184336 0.00595961
-36.81713220 3.28144244 2.87552568
0.00040535 0.00036738 0.00083664
0.00896569 -0.03886850 -0.00583753
-37.49955434 0.45492653 3.86504404
-0.00054872 0.00001901 -0.00019357
-0.04054796 -0.02179820 0.01607558
-8.65915105 -4.12518443 1.32568664
-0.00011400 0.00061765 0.00066315
0.00511565 0.00921124 0.01788000
-6.34578237 -4.91900300 2.82814094
-0.00034539 -0.00019042 0.00002598
0.00224286 -0.00322270 0.00461072
2.88347347 -0.10327823 7.36806143
-0.00021689 0.00017344 0.00107828
0.00810034 -0.00004718 -0.02308999
1.65361194 1.78044251 9.30390391
-0.00020009 0.00049212 -0.00019696
-0.00395007 -0.00333251 -0.00166854
-29.89861479 0.05392550 2.71296374
0.00065918 0.00031124 0.00069375
-0.01461877 -0.00576362 -0.00080784
-32.89674635 0.92991427 2.77468344
0.00043509 0.00043518 -0.00010804
0.03551625 0.00477064 -0.00019635
15.77406421 11.84743995 -18.42429415
0.00072329 -0.00000766 -0.00016703
-0.04455387 -0.04747369 -0.00775142
18.32964775 12.40354757 -17.34750225
0.00120909 -0.00000599 -0.00035523
-0.00430879 0.00244101 -0.00003215
-2.94868160 6.76246189 6.20871569
0.00026866 -0.00030639 -0.00033564
-0.00219095 -0.00768908 -0.00268887
-2.90521062 5.18237673 3.72212014
0.00063630 -0.00012787 -0.00052564
-0.00682848 -0.00103900 0.02963823
5.99418567 16.54312096 -8.73096520
0.00086978 -0.00057587 -0.00080426
0.00743517 -0.01054990 -0.02086706
7.18847804 18.27219217 -6.76982287
-0.00076637 -0.00058053 0.00088685
-0.03004005 -0.02874353 -0.00069946
7.69178470 5.10244791 -22.63812345
0.00084018 0.00136040 0.00097270
-0.00691512 0.01890541 0.01409090
8.62960801 6.93972617 -20.57794827
0.00016997 -0.00001473 -0.00107868
-0.00363435 -0.00000444 0.00437194
19.28917997 21.08422908 -4.21890670
0.00059050 0.00110815 -0.00045115
-0.00632179 0.00181315 0.00229640
19.40007059 19.64619947 -6.74860460
0.00004244 0.00062850 0.00036373
0.01074623 -0.00007351 -0.01211331
1.46855850 12.31977635 -20.62615855
-0.00025124 0.00037904 -0.00088347
-0.00229574 0.01079117 -0.01263226
0.62326751 14.86595908 -22.20599072
0.00067701 0.00046953 -0.00080319
-0.00319660 -0.01900646 0.01716766
10.10846347 -6.97513310 -0.20928013
-0.00091031 -0.00022476 0.00138745
0.00311106 0.00196498 -0.00266670
9.51806163 -4.08324387 -0.72785268
-0.00121494 0.00049694 0.00000736
0.01212550 -0.01432795 0.02103519
-18.20556609 -5.31840720 6.81727018
-0.00009814 -0.00066178 -0.00077807
-0.00209541 0.00434880 -0.01417586
-18.73602016 -5.08412038 3.86363018
-0.00019933 0.00013531 0.00013097
0.00582779 0.00544877 0.01957837
-14.36150525 -0.19966806 19.30078949
-0.00030468 0.00072479 -0.00002861
-0.00410491 0.02787614 -0.03452152
-14.32339697 -0.34572000 22.22757748
-0.00068076 0.00053657 -0.00029809
-0.00058708 -0.00574807 -0.01215764
1.14733740 2.79199303 -2.56625310
-0.00035393 -0.00047056 -0.00058508
-0.00559061 -0.00252165 0.02079298
2.03718351 2.32439086 -5.14916521
-0.00013123 0.00070319 -0.00137710
-0.00689104 0.02329422 0.00669377
21.53272509 -10.57488013 -6.39380279
-0.00112665 0.00019300 -0.00062041
-0.00072531 0.00545640 0.04575448
22.64801515 -9.95522403 -3.48259754
0.00098413 0.00007976 0.00093623
0.00089918 0.00022121 -0.01625611
4.62793460 -10.42318934 6.95333503
-0.00058347 0.00002520 0.00015936
0.03258176 0.00608981 -0.02387895
3.37121861 -11.73492363 9.01769476
0.00036026 0.00037074 0.00028479
-0.00699826 -0.00471140 0.01158294
-2.10134503 -3.22955368 -20.74971953
0.00012418 -0.00080133 -0.00011309
0.00300686 -0.01947342 -0.00819239
-3.34044631 -1.98312693 -18.52029438
0.00107103 -0.00037452 0.00015918
0.01121216 0.00486516 -0.00299513
0.75662808 4.94929379 -10.17130226
0.00034022 -0.00085499 -0.00161805
-0.00274689 0.00084580 0.00480666
-1.45818107 3.30281666 -8.85641629
0.00096342 -0.00043994 -0.00069901
0.02894740 0.01589881 -0.03955669
-3.83936317 15.57911263 15.57600509
-0.00117937 0.00024838 -0.00039174
-0.00800641 -0.00382725 0.00084160
-6.67647703 15.04881169 14.98698938
0.00031084 0.00035022 -0.00104282
-0.00331908 0.00103314 0.00546306
-6.70816876 2.03310145 -6.22526331
0.00037777 0.00038788 0.00055049
-0.00798389 -0.00445148 0.01282416
-4.83278532 1.40980766 -8.32257947
-0.00021931 0.00074246 -0.00007613
-0.00674686 0.00599343 -0.00180989
-9.96145934 -0.82768939 -3.79686146
0.00032925 0.00014756 -0.00043456
0.00148808 0.02494196 0.00933719
-9.64383529 2.26295925 -2.75213891
-0.00034594 0.00054734 0.00032909
0.00572270 -0.02993315 -0.02176241
3.26233736 29.01599392 4.79821574
0.00054966 -0.00004554 -0.00010916
-0.00350984 -0.01184806 0.02080228
3.19597634 27.62446518 7.66094994
-0.00060934 -0.00015959 -0.00112222
-0.00101564 0.01467983 -0.02772111
8.08136880 -10.91705783 -0.98558132
-0.00097898 -0.00073584 -0.00047423
0.02917506 0.00500784 -0.01940862
10.74292628 -11.19524423 0.14386100
-0.00017954 -0.00075732 -0.00044842
-0.00085081 -0.00466873 -0.01235664
-5.51597638 -0.08607350 8.72020041
-0.00020618 -0.00061785 -0.00025949
0.04057692 -0.01302479 -0.00714140
-8.16408703 -0.06214295 9.04338615
0.00043586 0.00026761 -0.00021719
-0.02417469 -0.00272315 0.00452445
20.39057982 10.94968119 8.73488421
-0.00006485 -0.00041792 0.00081151
-0.01297586 -0.00244783 0.01021008
21.98986589 10.86839736 6.63076229
0.00109095 -0.00061104 0.00045976
0.04288765 0.00453228 -0.01851946
-2.84844133 -0.23879009 -22.45757247
-0.00019443 0.00004993 -0.00084315
-0.01043679 0.03722114 -0.02199661
-4.99648628 1.40326762 -24.13019775
-0.00070588 0.00069215 0.00005987
0.05456522 -0.01339362 0.00969088
-12.50632522 9.90139472 9.58277938
0.00059807 0.00061899 -0.00028683
0.01081477 0.00407310 0.01459770
-13.45751157 9.48747330 6.97814426
-0.00004593 -0.00038916 0.00004593
-0.00897328 -0.00846531 0.01747132
-14.64869856 4.85502989 -4.41226974
-0.00105300 -0.00006820 0.00018160
0.00861135 0.00786146 -0.00294228
-13.70563895 7.76221432 -4.12555439
0.00045544 0.00008368 -0.00103908
-0.00430460 -0.02866048 0.00979494
-4.18201480 -15.63812188 20.35848197
-0.00002183 -0.00038175 0.00040208
-0.02716531 -0.00829393 -0.00295352
-1.66828757 -16.73776490 19.49885782
-0.00049369 -0.00037527 -0.00049342
-0.00382951 0.00201020 -0.00135477
-5.34389215 6.09189269 -7.55197978
-0.00013925 0.00051589 -0.00001197
-0.02208310 0.00727163 0.00553699
-7.44099852 8.35098221 -6.95329845
0.00029161 -0.00007114 0.00034553
0.00167506 -0.00586385 0.00507520
-20.92878450 29.04357919 0.83783274
-0.00023238 -0.00083210 0.00087223
-0.00142364 0.00684845 -0.00357554
-18.10187159 29.46489603 0.47933835
0.00043339 0.00037463 -0.00109122
0.00358131 0.00134160 0.00441882
9.28201714 2.78701718 6.56672952
0.00004815 0.00070439 0.00103267
-0.00126731 -0.00499656 -0.00177465
9.07292754 5.50360437 7.69363406
0.00060047 -0.00064238 0.00023343
0.01176199 -0.01156419 0.01443540
7.77544068 17.73432164 -12.33641979
-0.00051633 0.00044779 -0.00001338
0.00192231 -0.02136237 0.00662431
8.44969559 14.88681643 -12.22911495
-0.00054179 0.00050691 -0.00018317
0.00173106 -0.00030100 0.00085491
12.01593061 5.98442916 -1.08278767
-0.00018637 0.00046380 -0.00023394
0.04042007 -0.02198244 -0.00904588
13.61449768 3.91899591 0.24628516
0.00005782 -0.00053297 -0.00037615
0.00279855 -0.01170614 0.02100675
-4.44023170 10.82432046 -1.95311460
-0.00061295 -0.00147341 0.00059072
0.02065859 -0.01145210 0.00094892
-7.11958104 10.80473480 -0.67105707
0.00025208 -0.00063092 0.00105428
0.00326823 -0.00551120 0.00371009
7.43535750 14.23982498 4.89649997
0.00009295 0.00033625 0.00067249
-0.00888046 0.04796929 -0.01143936
9.21288152 12.03929479 4.15739704
0.00113284 -0.00054763 -0.00007426
-0.01925879 0.00609107 0.01603225
20.32800612 -13.14768984 -8.75488830
-0.00108380 -0.00026418 0.00027299
0.01583372 0.02065134 -0.01329420
23.17193988 -12.47891529 -9.05555718
-0.00002171 -0.00033107 -0.00125777
0.03589114 -0.01567361 0.00774040
19.84840067 -4.94940672 -2.57234144
-0.00072282 -0.00009132 -0.00013256
-0.00100219 0.00495757 -0.00456127
18.21671997 -6.85555742 -1.21972611
-0.00059413 -0.00036938 0.00015535
0.00659591 -0.00435318 0.00590799
13.97159529 9.59720678 9.03056916
0.00000637 -0.00025279 0.00098520
0.00075899 -0.01208345 -0.00426036
15.20577494 7.64926245 10.59061883
0.00040802 0.00011414 -0.00010178
0.00878989 -0.00788834 0.02533488
2.93584499 -15.05315135 17.44526869
0.00026436 0.00089570 0.00008196
0.01702574 0.00730354 -0.02249549
3.23255698 -12.28606541 17.27104509
-0.00072937 -0.00061612 0.00029714
0.00930700 0.00955846 -0.00662893
-2.62238415 -3.77595492 -12.48729548
-0.00008567 0.00037264 -0.00015857
-0.00600161 0.00798419 -0.01136512
-0.82975880 -1.78083357 -13.53643851
0.00090916 -0.00065284 -0.00125104
-0.00297949 0.00696565 -0.00355942
15.98746173 -7.47543917 -14.96609669
-0.00069021 0.00039091 -0.00072712
-0.00163886 -0.00680848 0.00903363
16.78406827 -8.34153818 -12.19306242
0.00076053 -0.00010430 0.00014274
-0.01106659 0.01434903 -0.01080817
8.06434379 -3.55085200 5.92017065
-0.00026723 0.00099335 -0.00081494
0.01794990 -0.00030953 0.01699078
10.54965038 -4.45376879 5.18298321
0.00092369 -0.00071909 0.00016927
0.02397978 -0.00792348 -0.01628082
-20.93027395 0.57615170 25.25467104
-0.00024192 -0.00118800 0.00035438
-0.01977405 -0.01658222 -0.00190698
-19.40965899 2.82705701 26.07379518
-0.00087978 -0.00068969 0.00013394
0.00296754 -0.00499972 -0.00883681
25.22623272 -2.65308862 -7.41490563
0.00003278 -0.00052136 -0.00090761
-0.00305120 0.00385260 -0.00005330
23.51145152 -0.89878449 -9.05583134
0.00008948 0.00008411 -0.00047739
0.00427928 0.00297269 -0.01332681
11.90930495 -10.24135621 -9.47950608
0.00047147 -0.00118412 0.00007432
-0.00210084 -0.00781240 -0.02347711
12.96330474 -9.42415342 -12.08941248
-0.00035197 0.00016128 -0.00028447
0.00522497 0.01419270 -0.00663870
-7.24795228 -10.75681619 17.43895974
0.00014084 -0.00025089 0.00004988
-0.03600656 0.00508798 -0.01211676
-10.20302942 -10.50101168 17.66116592
0.00037991 0.00138759 0.00017838
-0.00466584 -0.00102629 0.00805327
8.16627873 1.46991898 -29.37656843
-0.00043363 -0.00109927 0.00029869
-0.00571208 0.00609159 0.00605761
5.43963816 0.79486790 -28.34490080
0.00017997 0.00032881 -0.00000867
-0.02304789 -0.01233757 -0.01307785
14.09769300 19.39071786 13.74912206
-0.00004878 0.00006578 0.00021357
-0.01967783 -0.01729306 -0.02331729
13.19688388 17.69967740 11.28842692
0.00075738 -0.00006508 -0.00002301
0.00000576 0.02003952 0.03471142
27.76935411 7.76236629 -11.53385839
0.00039789 0.00025915 0.00020971
0.02082397 0.00144657 -0.00810787
26.05025027 7.62967478 -9.18472140
0.00036800 0.00009294 0.00012341
0.00415772 0.00135569 -0.01781546
-7.84668215 4.72282933 6.14092149
0.00011436 0.00003463 0.00010647
-0.00218387 -0.00488870 0.00264224
-10.34287211 9.13990473 3.01951229
0.00026453 -0.00010121 0.00022327
0.00855765 -0.00328061 0.00891434
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.07437060
0.29258414
389.85369685
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0589389535
ExchangeOperator: pair fraction: ispin=0: 0.1461763115
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3170741815 (a.u.)
total exchange computation time: 2.8129160404 s
-153.8948047467
-931.36622254
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0589389535
ExchangeOperator: pair fraction: ispin=0: 0.1461763115
ExchangeOperator: bisection time: 1.422 s
total exchange = -52.3171638224 (a.u.)
total exchange computation time: 2.8107640743 s
-153.8943440870
Anderson extrapolation: theta=1.3464909156 (1.3464909156)
-931.36642952
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0589389535
ExchangeOperator: pair fraction: ispin=0: 0.1461763115
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.3172272610 (a.u.)
total exchange computation time: 2.8103640079 s
-153.8941870473
Anderson extrapolation: theta=0.0505984897 (0.0505984897)
-931.36655194
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0589389535
ExchangeOperator: pair fraction: ispin=0: 0.1461763115
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3171804129 (a.u.)
total exchange computation time: 2.8127200603 s
-153.8946106734
Anderson extrapolation: theta=1.9460785894 (1.9460785894)
-931.36655639
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0589389535
ExchangeOperator: pair fraction: ispin=0: 0.1461763115
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.3170685011 (a.u.)
total exchange computation time: 2.8106379509 s
-153.8955482949
Anderson extrapolation: theta=0.2258949603 (0.2258949603)
-931.36656124
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0589389535
ExchangeOperator: pair fraction: ispin=0: 0.1461763115
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.3170348485 (a.u.)
total exchange computation time: 2.8100590706 s
-153.8957724975
Anderson extrapolation: theta=1.9003911817 (1.9003911817)
-931.36656222
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0589389535
ExchangeOperator: pair fraction: ispin=0: 0.1461763115
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3169818377 (a.u.)
total exchange computation time: 2.8126778603 s
-153.8960629030
Anderson extrapolation: theta=0.2864642675 (0.2864642675)
-931.36656347
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0589389535
ExchangeOperator: pair fraction: ispin=0: 0.1461763115
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.3169784736 (a.u.)
total exchange computation time: 2.8122589588 s
-153.8960157162
Anderson extrapolation: theta=1.2952865586 (1.2952865586)
-931.36656377
64.660656 27.562088 -167.058109
561.592363 1074.522623 -406.309013
626.253019 1102.084711 -573.367122
1391.234491
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0589389535
ExchangeOperator: pair fraction: ispin=0: 0.1461763115
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3169831054 (a.u.)
total exchange computation time: 2.8132579327 s
677.99368766
-1082.10917362
89.86628476
-390.15352759
-174.64685207
77.32234703
551.60419304
0.00000000
-931.36656398
4.56167260 -30.94566624 -3.49335394
-0.00006133 -0.00016984 0.00009474
-0.00261388 -0.01348588 0.00377561
-11.73999017 2.11398475 -9.31138855
0.00019304 0.00008401 0.00015737
0.02122537 0.00364096 0.00240087
-36.21253960 1.37900257 3.13356310
0.00008242 0.00019688 0.00006739
0.02760883 0.05317357 -0.01271529
-7.44141330 -3.47590805 2.63546916
0.00010416 0.00006690 0.00001044
-0.00598025 -0.01094621 -0.01610080
2.25429313 0.07186110 9.02354717
0.00003662 -0.00025734 0.00006478
-0.01375600 0.00027196 0.03320342
-31.05896765 1.48456944 2.60633537
-0.00024814 0.00017542 -0.00016324
-0.01703616 0.00509261 0.00570320
16.86234868 13.16092140 -18.22707711
-0.00030930 -0.00008215 -0.00047789
0.05574156 0.05408084 0.01551059
-3.44265738 5.10726121 5.53014365
-0.00007575 -0.00016328 -0.00003013
0.01114563 0.01040371 -0.03574238
5.72780257 17.05035058 -7.00613825
-0.00012908 0.00001972 -0.00001930
0.02031227 0.03650161 0.01454707
7.24209222 5.75349184 -20.90112451
-0.00007888 0.00002182 0.00021125
0.00914204 -0.00526810 -0.00793135
18.60920835 19.61318795 -5.14422401
-0.00007611 -0.00027720 -0.00014525
-0.00056500 0.00120428 0.01518551
1.95165066 13.99769113 -21.22505511
0.00000319 0.00021216 -0.00006448
0.00460239 0.01619231 0.00052832
10.47837839 -5.29391224 0.43470590
0.00033877 -0.00003797 0.00007681
-0.01841939 0.01629395 -0.02309831
-17.97579594 -4.21953569 5.34534073
0.00061630 -0.00040944 0.00004474
-0.00125673 -0.01205103 -0.00609973
-14.28759547 -1.33954339 20.64877645
-0.00004426 -0.00004715 0.00021097
0.00357515 -0.02066756 0.03959824
1.59705819 3.76193495 -4.01236372
0.00000642 -0.00003354 -0.00008688
0.01108762 -0.02352001 -0.02818726
21.25149698 -10.61632085 -4.47319048
-0.00011208 0.00005039 -0.00006210
0.00398210 0.00483289 -0.02237409
3.06781253 -10.44459878 7.77036487
0.00010209 -0.00020574 -0.00034170
-0.03309115 -0.00148679 0.01479161
-1.91423541 -1.78410105 -19.67540622
-0.00022955 0.00011519 -0.00029802
-0.00876166 0.00375623 0.00447190
-0.49642569 3.66174149 -10.49464683
-0.00045958 0.00031934 0.00002164
-0.02373659 -0.01410474 0.02844468
-4.97816566 14.69978482 14.45940915
0.00010826 0.00019699 -0.00003699
0.01075879 -0.00366710 -0.01522235
-5.35463523 2.76536803 -7.20874006
0.00018016 0.00001652 0.00021648
0.01207868 -0.00410931 -0.00711844
-9.24715783 0.86349942 -4.03458929
-0.00001527 0.00011394 0.00008891
0.00422243 0.01061507 0.00448651
2.87705504 27.49364317 5.82057176
-0.00003246 0.00001311 0.00010639
0.00436072 0.00599570 -0.00078664
9.90862810 -10.83534729 -1.49976798
-0.00024244 -0.00006841 0.00013402
-0.04080407 0.00809140 0.01590760
-6.76859296 1.04272355 9.28253168
-0.00006307 0.00010545 0.00005774
-0.01022101 0.01481826 0.00121535
20.23853406 10.80254592 6.91974195
-0.00043824 -0.00008124 -0.00019674
-0.01200856 -0.00508674 0.01505626
-3.07288263 1.07781482 -23.89137396
0.00008751 -0.00017965 -0.00005672
-0.04735424 -0.01611505 0.01152127
-13.60945993 8.75812092 8.69004431
0.00025193 -0.00022921 0.00019908
-0.01378680 -0.00709471 -0.03032828
-13.59010568 6.01958511 -3.42933730
-0.00016329 -0.00018637 -0.00024817
-0.00367338 0.01548364 -0.01482028
-2.43326818 -15.43767894 20.52957811
-0.00029541 -0.00006428 0.00000556
0.02719874 0.00318137 0.00713010
-5.99527696 7.79132118 -7.91850683
0.00009461 0.00037077 0.00020785
0.02073427 0.00093839 -0.01835327
-19.64223304 30.34230548 0.91784972
0.00026752 -0.00016078 -0.00014024
-0.00827894 -0.00831262 0.00444436
9.85297794 3.81218397 7.95915673
-0.00006454 0.00001161 -0.00016851
0.00105242 0.01352615 -0.00176834
7.25214963 16.10866560 -11.59865604
0.00015360 0.00017839 0.00010003
-0.00857095 0.02158198 -0.00779599
13.61406231 4.92244561 -1.25463051
-0.00029779 -0.00041988 -0.00001456
-0.03923801 0.03433616 -0.01237349
-6.06779042 11.58064635 -1.93211408
0.00010936 0.00044062 0.00032950
-0.00840875 0.01266051 0.00691072
7.76848416 12.57283207 5.27579893
-0.00032239 -0.00015318 0.00009811
0.03216499 -0.04557838 -0.01414288
21.56311458 -11.93109868 -9.51456956
-0.00051364 0.00020809 0.00027300
-0.06212362 -0.00413398 0.00384539
19.76564084 -5.88210740 -0.99008717
-0.00008135 0.00020875 0.00052647
-0.01029355 0.00058992 -0.00569463
14.90234390 8.01719040 8.86522029
0.00044278 -0.00002222 0.00026492
-0.00585180 0.01572816 -0.01701739
3.84380074 -13.76648490 16.37465623
0.00000364 -0.00002796 -0.00008591
-0.02333576 -0.01942459 0.02117921
-2.59663945 -2.32495655 -13.63091688
-0.00007895 0.00017726 0.00025111
0.01031724 -0.01077492 0.01191408
15.50598796 -7.39458217 -13.16713740
-0.00004818 -0.00007128 0.00000475
0.01310944 -0.01022208 0.00256900
9.80419766 -3.76906095 6.64904188
0.00021137 -0.00016901 -0.00022769
-0.04517080 0.01335881 -0.01011797
-19.40281578 1.41000791 24.84523753
0.00008507 0.00011823 -0.00009381
0.00431567 0.01111236 0.00772388
24.16009741 -1.12153214 -7.38871248
-0.00034502 0.00034475 0.00019249
0.00753258 -0.01031001 0.01108438
11.62858368 -10.42892305 -11.35316330
0.00006238 0.00030052 -0.00013026
0.00196042 0.01023730 0.04142800
-8.90246316 -10.71357898 16.41188000
-0.00015675 0.00015709 -0.00036064
0.02260736 -0.00188558 -0.00625455
6.97197604 1.59075787 -27.91782639
0.00039713 0.00000156 -0.00011711
0.02576238 0.00862590 0.00517063
12.62637422 18.62251804 12.84936719
-0.00009112 -0.00030390 -0.00027765
0.02339852 -0.00502514 -0.00869503
26.03177925 7.55419979 -11.08474456
-0.00003691 -0.00000990 0.00000735
-0.01048200 -0.00501064 0.02896163
5.12994304 -29.90450971 -4.88108574
-0.00020135 -0.00015874 -0.00004986
0.00139456 0.01153509 -0.00011983
4.01352640 -29.88778682 -2.10734999
-0.00037466 -0.00059804 -0.00049263
0.00247674 -0.00302192 -0.00070632
-9.97242585 2.34044200 -8.74797920
0.00100949 0.00075206 0.00065141
-0.02505616 -0.00307280 -0.00867340
-11.80389671 2.55705078 -11.11076437
-0.00005718 -0.00008360 0.00010990
-0.00134897 0.00181755 0.00638589
-36.81077718 3.28576203 2.88789645
0.00044149 0.00020749 0.00081203
0.00872520 -0.03939700 -0.00621044
-37.50902772 0.45454370 3.86263316
-0.00070626 -0.00006377 -0.00013286
-0.03656720 -0.01872413 0.01364151
-8.66070427 -4.11563738 1.33618179
-0.00009653 0.00065288 0.00073158
0.00343569 0.00803383 0.01561656
-6.35089456 -4.92195806 2.82867188
-0.00033570 -0.00020420 0.00004462
0.00250326 -0.00352504 0.00451718
2.88046839 -0.10067810 7.38352807
-0.00017598 0.00017077 0.00096544
0.01192317 -0.00125996 -0.03214764
1.65048947 1.78772213 9.30089840
-0.00021323 0.00046759 -0.00020438
-0.00247949 -0.00867338 -0.00196495
-29.88917502 0.05841749 2.72334530
0.00059389 0.00029272 0.00068975
-0.01734330 -0.00330374 -0.00115160
-32.88913161 0.93658812 2.77305680
0.00057264 0.00045121 -0.00010805
0.03181158 0.00307647 0.00019407
15.78354829 11.84587037 -18.42703708
0.00053275 -0.00021341 -0.00019990
-0.04871590 -0.05324516 -0.00834051
18.34765205 12.40353245 -17.35283173
0.00117875 0.00000978 -0.00036159
-0.01054297 0.00528312 -0.00308085
-2.94471885 6.75763046 6.20359864
0.00025999 -0.00033542 -0.00034506
-0.00205155 -0.00652459 -0.00192162
-2.89587534 5.18042680 3.71514379
0.00060552 -0.00013296 -0.00039735
-0.00823969 -0.00145000 0.03315931
6.00746026 16.53415965 -8.74366854
0.00089863 -0.00061387 -0.00087448
0.00668605 -0.00805022 -0.01350352
7.17606198 18.26260345 -6.75654150
-0.00088182 -0.00069190 0.00088420
-0.02647260 -0.02577243 -0.00060095
7.70417554 5.12343326 -22.62310114
0.00081082 0.00142935 0.00101908
-0.00745677 0.01484272 0.00860954
8.63204617 6.93950510 -20.59399446
0.00015472 -0.00001267 -0.00105644
-0.00383123 0.00101444 0.00651233
19.29784375 21.10090691 -4.22560361
0.00055761 0.00110290 -0.00044635
-0.00977720 -0.00438136 0.00005618
19.40103652 19.65562466 -6.74351985
0.00008877 0.00062655 0.00030698
0.01193391 -0.00087814 -0.01566371
1.46471949 12.32579267 -20.63979764
-0.00026206 0.00041802 -0.00093307
-0.00299929 0.00828611 -0.01164664
0.63332468 14.87241965 -22.21751254
0.00066341 0.00039173 -0.00073264
-0.00346206 -0.01907827 0.01736643
10.09490417 -6.97844432 -0.18855012
-0.00089750 -0.00021666 0.00137588
0.00316065 0.00200234 -0.00299684
9.50020915 -4.07622884 -0.72709763
-0.00115907 0.00043190 0.00009913
0.01521912 -0.01750863 0.02388287
-18.20710247 -5.32820065 6.80516476
-0.00010670 -0.00064690 -0.00082993
-0.00209313 0.00293559 -0.01121278
-18.73883158 -5.08192370 3.86619471
-0.00017489 0.00015794 0.00020958
0.00613616 0.00562581 0.01889911
-14.36620125 -0.18794204 19.29930254
-0.00032059 0.00082839 -0.00016012
-0.00368228 0.02283665 -0.02985288
-14.33362634 -0.33784752 22.22273356
-0.00068258 0.00051273 -0.00034488
-0.00030387 -0.00592305 -0.01074615
1.14185714 2.78485739 -2.57439211
-0.00037652 -0.00048229 -0.00050069
-0.00546952 -0.00322231 0.02051667
2.03500389 2.33565259 -5.16961663
-0.00016015 0.00079891 -0.00134637
-0.00726742 0.02355695 0.00835156
21.51580311 -10.57181790 -6.40170691
-0.00112716 0.00021540 -0.00043074
0.00047617 0.00550583 0.04709118
22.66280464 -9.95402085 -3.46905224
0.00097277 0.00007390 0.00085730
-0.00645931 -0.00308894 -0.02238229
4.62018089 -10.42262479 6.95499372
-0.00043678 0.00005037 0.00005417
0.03922595 0.00623164 -0.02761370
3.37640805 -11.72950685 9.02232150
0.00033148 0.00035235 0.00033107
-0.00708755 -0.00429279 0.01107403
-2.09939014 -3.24217040 -20.75166697
0.00013704 -0.00087285 -0.00014132
0.00328769 -0.01553229 -0.00562665
-3.32403733 -1.98859567 -18.51799847
0.00110870 -0.00035558 0.00015305
0.00723102 0.00440565 -0.00000672
0.76164716 4.93649483 -10.19542577
0.00033448 -0.00084497 -0.00159475
-0.00005939 0.00406042 0.00660204
-1.44284274 3.29670470 -8.86811365
0.00107557 -0.00037562 -0.00084891
0.02595192 0.01558961 -0.03381912
-3.85729901 15.58272099 15.57015479
-0.00120087 0.00024077 -0.00037863
-0.00251950 0.00010196 0.00557379
-6.67191608 15.05409668 14.97151454
0.00028993 0.00035539 -0.00101912
-0.00691679 0.00149788 0.00613670
-6.70274690 2.03878320 -6.21661303
0.00034432 0.00036831 0.00060292
-0.00838663 -0.00512937 0.01284122
-4.83628172 1.42112827 -8.32377687
-0.00024534 0.00076105 -0.00008770
-0.00599478 0.00310684 -0.00385539
-9.95647492 -0.82471171 -3.80309375
0.00033346 0.00024573 -0.00039540
0.00056871 0.02311348 0.00983338
-9.64884911 2.27025204 -2.74786940
-0.00032160 0.00042201 0.00023740
0.00619511 -0.03141644 -0.02312002
3.27047477 29.01494772 4.79721576
0.00053465 -0.00009583 -0.00002325
-0.00384154 -0.01276820 0.02125389
3.18680510 27.62252112 7.64326713
-0.00060985 -0.00009803 -0.00121738
0.00076764 0.01545341 -0.01885652
8.06757808 -10.92794198 -0.99328952
-0.00085298 -0.00071454 -0.00055362
0.03250628 0.00541682 -0.01945473
10.74020708 -11.20674705 0.13675601
-0.00018244 -0.00077645 -0.00049488
-0.00056623 -0.00469925 -0.01038225
-5.51782571 -0.09574030 8.71608925
-0.00004600 -0.00066436 -0.00028543
0.03783467 -0.00974290 -0.00555789
-8.15828990 -0.05821229 9.04026701
0.00032990 0.00025261 -0.00019918
-0.02769605 -0.00461649 0.00428791
20.38920941 10.94333732 8.74736973
-0.00011936 -0.00042872 0.00083820
-0.01370379 -0.00283506 0.00285507
22.00754432 10.85937066 6.63709119
0.00124100 -0.00059316 0.00038870
0.03056267 0.00421900 -0.01626482
-2.85167759 -0.23690054 -22.47089378
-0.00023644 0.00019666 -0.00092727
-0.01012852 0.03460402 -0.01918247
-5.00540238 1.41323951 -24.12900275
-0.00047574 0.00063501 0.00010001
0.05808890 -0.01457677 0.00995701
-12.49702273 9.91080433 9.57892428
0.00063774 0.00063113 -0.00023027
0.00860045 0.00187322 0.01308783
-13.45847546 9.48137652 6.97936860
-0.00008294 -0.00042399 0.00011718
-0.00914489 -0.00858276 0.01740303
-14.66422961 4.85424777 -4.40963597
-0.00101567 -0.00003465 0.00017092
0.00965903 0.00856208 -0.00228403
-13.69893930 7.76259127 -4.14084051
0.00043799 -0.00003870 -0.00099661
-0.00423483 -0.03124753 0.01099842
-4.18317470 -15.64410233 20.36442263
-0.00013735 -0.00041605 0.00039004
-0.02938225 -0.00849675 -0.00293786
-1.67581019 -16.74333241 19.49141504
-0.00051101 -0.00036229 -0.00049522
-0.00465291 0.00434717 0.00047343
-5.34665765 6.09985388 -7.55198965
-0.00022739 0.00054173 0.00001122
-0.02106142 0.00537457 0.00581488
-7.43657303 8.34973539 -6.94795998
0.00029568 -0.00009373 0.00036759
0.00031770 -0.00519416 0.00572483
-20.93231377 29.03130749 0.85080659
-0.00022841 -0.00079628 0.00085739
0.00336307 0.01068966 -0.00368866
-18.09526105 29.47055656 0.46310546
0.00044520 0.00037980 -0.00107243
0.00220316 0.00119145 0.00477795
9.28270052 2.79742997 6.58216522
0.00003637 0.00067141 0.00100903
-0.00449658 -0.01114664 -0.00979849
9.08229500 5.49361430 7.69757790
0.00064339 -0.00067881 0.00029068
0.00924944 -0.00626963 0.01358854
7.76775463 17.74038386 -12.33641744
-0.00050807 0.00035945 0.00001381
0.00212104 -0.02187904 0.00668269
8.44162182 14.89441090 -12.23183631
-0.00052830 0.00049979 -0.00018301
0.00487028 -0.00318446 -0.00077626
12.01437361 5.99071257 -1.08657393
-0.00001870 0.00037080 -0.00026989
0.04165681 -0.02354292 -0.00855378
13.61545079 3.91064260 0.24128669
0.00006796 -0.00058181 -0.00028690
0.00216466 -0.01220197 0.02267890
-4.44879294 10.80186835 -1.94422466
-0.00053024 -0.00151746 0.00059259
0.01982851 -0.01010800 -0.00003443
-7.11569968 10.79510206 -0.65512921
0.00027063 -0.00064597 0.00105956
0.00581409 -0.00185296 -0.00112595
7.43647957 14.24633870 4.90623678
0.00005940 0.00052525 0.00062708
-0.00754066 0.04454588 -0.01078714
9.22928405 12.03126697 4.15677449
0.00104326 -0.00051821 -0.00000113
-0.02459544 0.00831252 0.01976067
20.31223428 -13.15101971 -8.75120078
-0.00101311 -0.00017566 0.00021616
0.01877032 0.02267684 -0.01452800
23.17271399 -12.48436167 -9.07418659
0.00011883 -0.00039439 -0.00122787
0.03290460 -0.01532085 0.00689533
19.83752771 -4.95062459 -2.57446955
-0.00072628 -0.00007308 -0.00014635
-0.00069475 0.00397258 -0.00219322
18.20801009 -6.86123148 -1.21721489
-0.00055802 -0.00038207 0.00018175
0.01108287 -0.00186091 0.00701691
13.97171402 9.59304461 9.04521663
0.00000958 -0.00030216 0.00096651
0.00081305 -0.01208437 -0.00488793
15.21216463 7.65073290 10.58986853
0.00044555 0.00007965 0.00000706
0.00957773 -0.00899876 0.02794108
2.94033215 -15.03949211 17.44580869
0.00033051 0.00091723 -0.00000663
0.01535440 0.00323824 -0.02086562
3.22190169 -12.29501432 17.27529912
-0.00069091 -0.00057408 0.00026869
0.00951492 0.01102200 -0.00730060
-2.62385310 -3.77012060 -12.49002223
-0.00011002 0.00040039 -0.00020084
-0.00591558 0.00559837 -0.00933006
-0.81621270 -1.79041265 -13.55531319
0.00088808 -0.00062675 -0.00126475
-0.00733931 0.00580449 -0.00315102
15.97705841 -7.46978419 -14.97672667
-0.00069715 0.00036224 -0.00068326
-0.00175993 -0.00722245 0.01243857
16.79513713 -8.34266293 -12.19125258
0.00070963 -0.00004184 0.00009321
-0.01384862 0.01622226 -0.01343717
8.06088533 -3.53596126 5.90846722
-0.00018419 0.00098925 -0.00074346
0.02270133 -0.00169484 0.01800101
10.56424050 -4.46479789 5.18502334
0.00101768 -0.00074955 0.00010593
0.02203069 -0.00698911 -0.01472152
-20.93450870 0.55782356 25.25992832
-0.00030722 -0.00124787 0.00034177
-0.01218799 -0.01272539 -0.00426454
-19.42276474 2.81655853 26.07553351
-0.00086659 -0.00070514 0.00010095
0.00348993 -0.00256533 -0.00731469
25.22663093 -2.66079103 -7.42852135
0.00001441 -0.00049578 -0.00090528
-0.00594302 0.00867192 0.00119237
23.51292485 -0.89743180 -9.06340055
0.00010856 0.00009650 -0.00052498
0.00505882 0.00309634 -0.00996782
11.91631262 -10.25935737 -9.47911065
0.00046314 -0.00121442 -0.00002277
-0.00197423 -0.00702148 -0.02404805
12.95818526 -9.42129936 -12.09388301
-0.00032696 0.00022200 -0.00031239
0.00701765 0.01552982 -0.00702896
-7.24694302 -10.76042369 17.43933669
-0.00000872 -0.00022949 -0.00000225
-0.03720215 0.00538893 -0.01340302
-10.19747367 -10.48022934 17.66408835
0.00036156 0.00138294 0.00020909
-0.00431738 -0.00124985 0.00698087
8.15959927 1.45361655 -29.37190241
-0.00045031 -0.00107375 0.00031729
-0.00245432 0.00640326 0.00304531
5.44163138 0.79942201 -28.34543155
0.00008619 0.00027884 -0.00006083
-0.02285476 -0.01212221 -0.01245625
14.09635830 19.39117472 13.75161112
-0.00013275 -0.00000637 0.00011648
-0.02142634 -0.01802759 -0.02420737
13.20824479 17.69931522 11.28914540
0.00075687 0.00001555 0.00011701
-0.00025745 0.01943301 0.03383006
27.77596062 7.76629784 -11.53096116
0.00047638 0.00026419 0.00017716
0.01759701 0.00102239 -0.00782733
26.05589775 7.63111045 -9.18341611
0.00038382 0.00009821 0.00004994
0.00358545 0.00122360 -0.01815284
-7.84497268 4.72333561 6.14252569
0.00011357 0.00003289 0.00010742
-0.00221252 -0.00481509 0.00263922
-10.33888924 9.13838092 3.02287689
0.00026651 -0.00010196 0.00022531
0.00848847 -0.00323769 0.00868790
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.07439468
0.29216930
389.30094576
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0590116279
ExchangeOperator: pair fraction: ispin=0: 0.1462195782
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.3103391156 (a.u.)
total exchange computation time: 2.8038699627 s
-153.8692236155
-931.36551769
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0590116279
ExchangeOperator: pair fraction: ispin=0: 0.1462195782
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3105093005 (a.u.)
total exchange computation time: 2.8042349815 s
-153.8682062455
Anderson extrapolation: theta=1.3457760689 (1.3457760689)
-931.36572445
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0590843023
ExchangeOperator: pair fraction: ispin=0: 0.1467387777
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.3108448276 (a.u.)
total exchange computation time: 2.8425869942 s
-153.8674328932
Anderson extrapolation: theta=0.0162380882 (0.0162380882)
-931.36600427
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0590843023
ExchangeOperator: pair fraction: ispin=0: 0.1467387777
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3107990467 (a.u.)
total exchange computation time: 2.8419549465 s
-153.8678202293
Anderson extrapolation: theta=2.2906896076 (2.0000000000)
-931.36600950
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0590843023
ExchangeOperator: pair fraction: ispin=0: 0.1467387777
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3106897364 (a.u.)
total exchange computation time: 2.8426060677 s
-153.8686818731
Anderson extrapolation: theta=0.3138089657 (0.3138089657)
-931.36601615
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0590843023
ExchangeOperator: pair fraction: ispin=0: 0.1467387777
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.3106492056 (a.u.)
total exchange computation time: 2.8412959576 s
-153.8689449880
Anderson extrapolation: theta=1.1613934596 (1.1613934596)
-931.36601753
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0590843023
ExchangeOperator: pair fraction: ispin=0: 0.1467387777
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3106070437 (a.u.)
total exchange computation time: 2.8400800228 s
-153.8691623021
Anderson extrapolation: theta=0.5199791737 (0.5199791737)
-931.36601866
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0590843023
ExchangeOperator: pair fraction: ispin=0: 0.1467387777
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.3105929056 (a.u.)
total exchange computation time: 2.8413701057 s
-153.8691771217
Anderson extrapolation: theta=0.8659077766 (0.8659077766)
-931.36601907
64.741579 27.541284 -167.051215
561.566350 1074.524182 -406.371336
626.307929 1102.065465 -573.422551
1391.266809
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0590843023
ExchangeOperator: pair fraction: ispin=0: 0.1467387777
ExchangeOperator: bisection time: 1.427 s
total exchange = -52.3105881326 (a.u.)
total exchange computation time: 2.8424198627 s
677.89102115
-1081.89786065
89.87768937
-390.29626635
-174.63001463
77.20687627
551.60419304
0.00000000
-931.36601925
4.56074262 -30.94826579 -3.49191832
-0.00006226 -0.00017739 0.00009569
-0.00101885 -0.01588266 -0.00007509
-11.73701268 2.11525898 -9.30901873
0.00020534 0.00008607 0.00015907
0.02659814 0.00437754 0.00420722
-36.21119680 1.38216089 3.13452496
0.00009531 0.00022311 0.00006172
0.02252082 0.04883874 -0.00935119
-7.43987400 -3.47494674 2.63556362
0.00010157 0.00006168 0.00000284
-0.00407598 -0.00934281 -0.01346078
2.25478943 0.06800211 9.02464694
0.00002831 -0.00025567 0.00008399
-0.01856505 0.00619767 0.04149315
-31.06275544 1.48722035 2.60390883
-0.00025501 0.00017785 -0.00016033
-0.00967478 0.00435296 0.00561365
16.85792419 13.15989772 -18.23418563
-0.00027871 -0.00005413 -0.00046910
0.06321128 0.05490532 0.01865449
-3.44375066 5.10485217 5.52955380
-0.00006976 -0.00015816 -0.00004940
0.01214251 0.00951067 -0.03918933
5.72594469 17.05078725 -7.00637161
-0.00011957 0.00003690 -0.00001384
0.01668068 0.03027612 0.00667348
7.24094430 5.75379881 -20.89798637
-0.00007404 0.00001998 0.00020810
0.00967877 -0.00190506 -0.00432422
18.60806460 19.60903458 -5.14634423
-0.00007583 -0.00027495 -0.00013613
0.00161962 0.00754276 0.02027386
1.95171632 14.00093605 -21.22602028
0.00000582 0.00022114 -0.00006444
0.00561794 0.01870861 -0.00038430
10.48338882 -5.29441888 0.43576891
0.00032857 -0.00002887 0.00006440
-0.02122577 0.01906883 -0.02516351
-17.96655635 -4.22572372 5.34598826
0.00061558 -0.00041520 0.00004103
-0.00153719 -0.01035741 -0.00833429
-14.28824556 -1.34033028 20.65209372
-0.00004260 -0.00005636 0.00022950
0.00288173 -0.01518461 0.03245639
1.59719720 3.76134115 -4.01377561
0.00001209 -0.00004554 -0.00010147
0.01099646 -0.02314058 -0.02857059
21.24983112 -10.61554629 -4.47420832
-0.00010859 0.00005356 -0.00007237
0.00959288 0.00748520 -0.01754280
3.06921623 -10.44769054 7.76529649
0.00008374 -0.00020674 -0.00033319
-0.03824606 -0.00241609 0.01829965
-1.91771242 -1.78235871 -19.67985933
-0.00023303 0.00011619 -0.00029721
-0.00480041 0.00013304 -0.00131106
-0.50341095 3.66647720 -10.49421244
-0.00047145 0.00031162 0.00003404
-0.02241194 -0.01590867 0.01974963
-4.97650019 14.70272550 14.45879564
0.00011322 0.00019395 -0.00004623
0.00849353 -0.00814206 -0.02072896
-5.35188620 2.76559997 -7.20552029
0.00018613 0.00001531 0.00021343
0.01113445 -0.00058172 -0.00476364
-9.24737054 0.86524947 -4.03323829
-0.00001286 0.00012025 0.00009130
0.00515158 0.01392781 0.00479570
2.87658497 27.49386299 5.82216461
-0.00003063 0.00001613 0.00010336
0.00273792 0.00572206 -0.01100304
9.90483412 -10.83634217 -1.49769626
-0.00026415 -0.00006428 0.00014162
-0.04361300 0.00795488 0.01361932
-6.76957847 1.04436252 9.28340247
-0.00006666 0.00011246 0.00005793
-0.00374971 0.01244330 -0.00049185
20.23191412 10.80130776 6.91684887
-0.00044096 -0.00008369 -0.00018781
0.00142574 -0.00446544 0.01968535
-3.07175257 1.07505794 -23.89218035
0.00006242 -0.00018687 -0.00005181
-0.05023726 -0.01197718 0.00756344
-13.60573415 8.75465543 8.69291346
0.00024547 -0.00023222 0.00018412
-0.01133505 -0.00460275 -0.02781889
-13.59256915 6.01684927 -3.43311704
-0.00016534 -0.00017798 -0.00025609
-0.00432294 0.01713887 -0.01596800
-2.43759442 -15.43863092 20.52968904
-0.00028098 -0.00006318 0.00000877
0.02892138 0.00108905 0.00535382
-5.99377777 7.79688631 -7.91545982
0.00010535 0.00037159 0.00019822
0.02103202 0.00227348 -0.01912584
-19.63825217 30.33986176 0.91576328
0.00026245 -0.00016591 -0.00013800
-0.01145374 -0.01166272 0.00426675
9.85201393 3.81241036 7.95662230
-0.00006244 0.00001864 -0.00016710
0.00709267 0.01380168 0.00725524
7.25442065 16.11142466 -11.59718572
0.00014832 0.00019020 0.00009649
-0.01197319 0.02436168 -0.00594072
13.60944408 4.91627978 -1.25489662
-0.00031792 -0.00040196 -0.00002127
-0.03903073 0.03538616 -0.01370750
-6.06618239 11.58730450 -1.92714486
0.00010482 0.00044579 0.00033441
-0.00925823 0.00744469 0.01217685
7.76377237 12.57035855 5.27721609
-0.00030509 -0.00017576 0.00008981
0.03510637 -0.04220925 -0.01814452
21.55517040 -11.92799333 -9.51045971
-0.00054505 0.00020535 0.00027546
-0.06003381 -0.00651972 0.00572232
19.76438089 -5.87897391 -0.98221206
-0.00008775 0.00020875 0.00052262
-0.01458832 -0.00059897 -0.00929151
14.90896302 8.01691784 8.86912845
0.00043962 -0.00001397 0.00025590
-0.00641722 0.01633901 -0.01806528
3.84376534 -13.76697918 16.37344932
-0.00000791 -0.00003712 -0.00007541
-0.02157730 -0.01619394 0.01964731
-2.59778397 -2.32233914 -13.62710426
-0.00007260 0.00017270 0.00025656
0.01439384 -0.00697767 0.00925782
15.50531584 -7.39569083 -13.16705619
-0.00004084 -0.00007683 0.00000581
0.01541226 -0.01136312 0.00154102
9.80719401 -3.77154459 6.64558757
0.00018771 -0.00016218 -0.00023363
-0.04685622 0.01321841 -0.01300163
-19.40152302 1.41182415 24.84386022
0.00008521 0.00012220 -0.00008971
-0.00376804 0.00434465 0.00821859
24.15495109 -1.11640071 -7.38578237
-0.00034065 0.00033828 0.00019693
0.00946350 -0.01484848 0.00618755
11.62952695 -10.42437577 -11.35495740
0.00006300 0.00030527 -0.00010888
0.00043771 0.00821702 0.04171960
-8.90472727 -10.71122993 16.40644624
-0.00014510 0.00015612 -0.00036315
0.02272517 -0.00188553 -0.00348207
6.97803240 1.59081451 -27.91956315
0.00040911 0.00000573 -0.00011373
0.02080133 0.00758594 0.00798710
12.62509772 18.61794008 12.84516893
-0.00007878 -0.00030612 -0.00028162
0.02459433 -0.00359692 -0.00673472
26.03118515 7.55403191 -11.08452260
-0.00004125 -0.00001231 0.00002213
-0.00640439 -0.00433519 0.02851183
5.12696558 -29.90653734 -4.88183723
-0.00019624 -0.00011231 -0.00004949
0.00110572 0.01119165 0.00029772
4.00798241 -29.89685000 -2.11476113
-0.00036690 -0.00060454 -0.00048833
0.00131922 -0.00015832 0.00281173
-9.95805131 2.35162868 -8.73847383
0.00089534 0.00073784 0.00061123
-0.03081892 -0.00388493 -0.01099530
-11.80479581 2.55585252 -11.10892014
-0.00006134 -0.00007615 0.00013657
-0.00068299 0.00182957 0.00666621
-36.80388744 3.28766712 2.89988660
0.00047628 0.00004651 0.00078587
0.00830244 -0.03940543 -0.00659695
-37.52074216 0.45301334 3.86105831
-0.00084477 -0.00013204 -0.00008365
-0.03123197 -0.01469281 0.01044400
-8.66204694 -4.10559797 1.34763401
-0.00008654 0.00068297 0.00079009
0.00145344 0.00669213 0.01302495
-6.35585334 -4.92512915 2.82947967
-0.00032516 -0.00021899 0.00006282
0.00265546 -0.00371133 0.00438988
2.87819404 -0.09815518 7.39702450
-0.00012021 0.00016346 0.00081762
0.01537596 -0.00231611 -0.04020768
1.64721505 1.79447019 9.29777247
-0.00022063 0.00042217 -0.00021286
-0.00114473 -0.01356114 -0.00218702
-29.88079816 0.06270702 2.73365627
0.00051785 0.00028391 0.00068428
-0.01987737 -0.00100627 -0.00152877
-32.87956726 0.94345051 2.77144205
0.00069321 0.00045988 -0.00010635
0.02721059 0.00116685 0.00063649
15.79004676 11.84103759 -18.43029117
0.00033019 -0.00043698 -0.00023420
-0.05043884 -0.05619242 -0.00844874
18.36501020 12.40384112 -17.35835002
0.00112419 0.00003628 -0.00037950
-0.01616230 0.00768687 -0.00568330
-2.94088183 6.75239915 6.19836381
0.00025200 -0.00035934 -0.00035117
-0.00185919 -0.00518201 -0.00106658
-2.88704504 5.17838801 3.71019966
0.00056953 -0.00013967 -0.00025673
-0.00937590 -0.00183461 0.03567543
6.02114461 16.52470497 -8.75719947
0.00092419 -0.00064151 -0.00091460
0.00582522 -0.00548336 -0.00613565
7.16202350 18.25143523 -6.74329695
-0.00098082 -0.00078956 0.00088245
-0.02198986 -0.02203260 -0.00025661
7.71610938 5.14532827 -22.60755118
0.00077970 0.00148126 0.00104186
-0.00777865 0.01057135 0.00254277
8.63424954 6.93934621 -20.60964154
0.00013866 -0.00000642 -0.00102540
-0.00403032 0.00204401 0.00868272
19.30590831 21.11731622 -4.23229707
0.00051114 0.00107327 -0.00045000
-0.01296905 -0.01012700 -0.00184404
19.40273384 19.66499603 -6.73939507
0.00013931 0.00062143 0.00023724
0.01280472 -0.00163006 -0.01847725
1.46069666 12.33231682 -20.65415051
-0.00027580 0.00044618 -0.00097843
-0.00372471 0.00550091 -0.01056093
0.64316968 14.87771099 -22.22797004
0.00064834 0.00031418 -0.00066176
-0.00391246 -0.01888387 0.01733194
10.08153856 -6.98163282 -0.16800377
-0.00088442 -0.00020813 0.00136313
0.00324257 0.00217188 -0.00324480
9.48328940 -4.07028685 -0.72487890
-0.00109141 0.00035513 0.00020129
0.01790477 -0.02007220 0.02612781
-18.20876713 -5.33781418 6.79237215
-0.00011537 -0.00063819 -0.00086912
-0.00215014 0.00132595 -0.00796717
-18.74126694 -5.07938222 3.86991750
-0.00014962 0.00018091 0.00028447
0.00623404 0.00561765 0.01776112
-14.37112292 -0.17481644 19.29598602
-0.00033464 0.00090986 -0.00027072
-0.00319334 0.01704647 -0.02429041
-14.34387434 -0.33033804 22.21723104
-0.00068327 0.00048907 -0.00038479
-0.00003270 -0.00565859 -0.00878897
1.13604168 2.77752426 -2.58127373
-0.00039818 -0.00049607 -0.00041880
-0.00513013 -0.00352025 0.01956641
2.03237888 2.34835804 -5.18955622
-0.00019033 0.00089466 -0.00130952
-0.00750312 0.02331351 0.00968779
21.49891031 -10.56841824 -6.40672499
-0.00112260 0.00023797 -0.00023745
0.00175351 0.00554173 0.04752495
22.67719827 -9.95300698 -3.45687866
0.00093302 0.00005546 0.00075471
-0.01300051 -0.00593689 -0.02783444
4.61483119 -10.42167832 6.95496008
-0.00026628 0.00007595 -0.00006436
0.04423699 0.00629026 -0.03040454
3.38116313 -11.72435317 9.02762692
0.00030239 0.00033610 0.00037472
-0.00715321 -0.00365892 0.01028965
-2.09723376 -3.25573904 -20.75395925
0.00015098 -0.00092758 -0.00015878
0.00353636 -0.01126272 -0.00291859
-3.30718519 -1.99379440 -18.51570297
0.00112978 -0.00033872 0.00015964
0.00308695 0.00384678 0.00323626
0.76666259 4.92394472 -10.21914467
0.00033941 -0.00082250 -0.00156457
0.00247070 0.00693942 0.00816929
-1.42591392 3.29154817 -8.88188365
0.00117395 -0.00031353 -0.00097250
0.02220704 0.01479985 -0.02667907
-3.87538925 15.58633561 15.56464608
-0.00119968 0.00024964 -0.00034575
0.00310139 0.00424088 0.01052476
-6.66777902 15.05947347 14.95641579
0.00025491 0.00036230 -0.00099300
-0.01022871 0.00188124 0.00664948
-6.69783903 2.04415060 -6.20717577
0.00031004 0.00034636 0.00065477
-0.00839750 -0.00561194 0.01253882
-4.84014552 1.43263929 -8.32521054
-0.00026824 0.00076766 -0.00010788
-0.00521584 0.00012751 -0.00602255
-9.95145566 -0.82031749 -3.80872339
0.00033350 0.00033533 -0.00035417
-0.00054848 0.02074555 0.01034684
-9.65348325 2.27561943 -2.74501683
-0.00029567 0.00029171 0.00014118
0.00649600 -0.03236452 -0.02398349
3.27837675 29.01311900 4.79751836
0.00051848 -0.00014896 0.00006375
-0.00407162 -0.01324037 0.02132954
3.17768090 27.62152414 7.62442867
-0.00060282 -0.00003330 -0.00127377
0.00267103 0.01623242 -0.00874952
8.05577954 -10.93849415 -1.00219004
-0.00071529 -0.00069166 -0.00063260
0.03488985 0.00578322 -0.01920432
10.73745317 -11.21853788 0.12901474
-0.00018398 -0.00079587 -0.00053290
-0.00018789 -0.00480289 -0.00823010
-5.51735630 -0.10600420 8.71163747
0.00010106 -0.00069611 -0.00030415
0.03415278 -0.00579868 -0.00360311
-8.15419016 -0.05456456 9.03741065
0.00021117 0.00023071 -0.00018207
-0.03042158 -0.00610528 0.00408831
20.38699915 10.93681970 8.76003023
-0.00017654 -0.00044095 0.00083552
-0.01428968 -0.00315204 -0.00416502
22.02709581 10.85060253 6.64242328
0.00134021 -0.00057628 0.00032693
0.01800093 0.00404502 -0.01397206
-2.85553458 -0.23289025 -22.48539071
-0.00027688 0.00033123 -0.00099855
-0.00966869 0.03126820 -0.01570636
-5.01075843 1.42231805 -24.12719752
-0.00023375 0.00057355 0.00014086
0.06036689 -0.01551015 0.01004016
-12.48719315 9.92032874 9.57587128
0.00066793 0.00063382 -0.00018023
0.00617852 -0.00055924 0.01140934
-13.45999982 9.47475373 6.98165951
-0.00012051 -0.00045881 0.00018701
-0.00924293 -0.00846180 0.01678190
-14.67916870 4.85399040 -4.40714218
-0.00097428 0.00000150 0.00016277
0.01060270 0.00913116 -0.00170519
-13.69249919 7.76105319 -4.15545258
0.00042072 -0.00016991 -0.00094986
-0.00422126 -0.03297867 0.01188658
-4.18613534 -15.65060351 20.37018323
-0.00025930 -0.00045089 0.00037835
-0.03031453 -0.00855575 -0.00278554
-1.68361798 -16.74863350 19.48400126
-0.00053144 -0.00034010 -0.00048984
-0.00534759 0.00651456 0.00216184
-5.35071393 6.10814447 -7.55164314
-0.00031093 0.00055912 0.00003558
-0.01982835 0.00313883 0.00610673
-7.43212806 8.34817023 -6.94227065
0.00029442 -0.00011357 0.00039210
-0.00093442 -0.00451688 0.00627305
-20.93563693 29.01969092 0.86355437
-0.00020561 -0.00074546 0.00084184
0.00780056 0.01418357 -0.00392235
-18.08851549 29.47629010 0.44716540
0.00045125 0.00038438 -0.00105208
0.00075667 0.00105153 0.00518392
9.28310832 2.80715962 6.59700041
0.00001113 0.00061318 0.00095238
-0.00785929 -0.01736144 -0.01793259
9.09222933 5.48323998 7.70235452
0.00067551 -0.00069240 0.00034424
0.00647081 -0.00038244 0.01262730
7.76019857 17.74510520 -12.33600553
-0.00049872 0.00027022 0.00004078
0.00245454 -0.02179956 0.00651797
8.43384653 14.90181022 -12.23460525
-0.00050226 0.00048098 -0.00018943
0.00787901 -0.00602277 -0.00236640
12.01536961 5.99555313 -1.09088442
0.00015203 0.00027271 -0.00030360
0.04191859 -0.02447418 -0.00794896
13.61653657 3.90154147 0.23767813
0.00007549 -0.00063160 -0.00019255
0.00152080 -0.01217006 0.02350581
-4.45613896 10.77879677 -1.93533684
-0.00045284 -0.00155492 0.00059041
0.01805852 -0.00823018 -0.00103497
-7.11146200 10.78535576 -0.63927036
0.00029902 -0.00064622 0.00104571
0.00808088 0.00172737 -0.00565136
7.43713950 14.25558248 4.91531249
0.00003205 0.00069605 0.00058518
-0.00584689 0.03906197 -0.00972374
9.24417921 12.02374859 4.15736299
0.00093377 -0.00048048 0.00008558
-0.02900034 0.01015454 0.02268482
20.29761280 -13.15295979 -8.74840363
-0.00093175 -0.00008019 0.00015510
0.02105662 0.02406111 -0.01535807
23.17550470 -12.49074702 -9.09239341
0.00024355 -0.00045492 -0.00120216
0.02814991 -0.01430673 0.00569010
19.82661216 -4.95159900 -2.57673206
-0.00072849 -0.00005892 -0.00015031
-0.00038379 0.00295728 0.00025514
18.19997943 -6.86701959 -1.21427363
-0.00050448 -0.00038505 0.00021255
0.01512383 0.00040231 0.00806137
13.97188259 9.58814184 9.05956453
0.00001270 -0.00035093 0.00094537
0.00071486 -0.01178728 -0.00546169
15.21914130 7.65165185 10.59083062
0.00048589 0.00004118 0.00012438
0.01016993 -0.00983093 0.02948618
2.94576032 -15.02563440 17.44506992
0.00038902 0.00092122 -0.00008747
0.01328815 -0.00128707 -0.01870964
3.21182954 -12.30328773 17.27910572
-0.00065159 -0.00052634 0.00023749
0.00973620 0.01234777 -0.00797014
-2.62568461 -3.76394316 -12.49332080
-0.00013396 0.00041769 -0.00023428
-0.00580717 0.00286714 -0.00703486
-0.80311640 -1.79963599 -13.57438099
0.00084941 -0.00060525 -0.00127652
-0.01158785 0.00471986 -0.00261194
15.96654724 -7.46457184 -14.98659434
-0.00070437 0.00033187 -0.00062625
-0.00177413 -0.00764554 0.01546544
16.80535726 -8.34279347 -12.19026625
0.00064844 0.00002738 0.00003388
-0.01610479 0.01766507 -0.01560232
8.05881815 -3.52117438 5.89786700
-0.00008330 0.00097956 -0.00066856
0.02668267 -0.00304925 0.01866102
10.58018080 -4.47625532 5.18616125
0.00110273 -0.00077531 0.00005048
0.01959916 -0.00562184 -0.01242562
-20.93949042 0.53871552 25.26492424
-0.00034152 -0.00129156 0.00031947
-0.00460644 -0.00866117 -0.00665287
-19.43565660 2.80590283 26.07682354
-0.00085146 -0.00071037 0.00007453
0.00391623 0.00000712 -0.00561405
25.22666492 -2.66796196 -7.44206399
-0.00001513 -0.00045145 -0.00089773
-0.00851308 0.01302560 0.00250394
23.51470821 -0.89588935 -9.07158066
0.00013094 0.00010936 -0.00055832
0.00590040 0.00319692 -0.00635359
11.92319930 -10.27778885 -9.48018904
0.00045549 -0.00124133 -0.00012103
-0.00177285 -0.00615239 -0.02405094
12.95349587 -9.41749354 -12.09878432
-0.00029533 0.00028756 -0.00034151
0.00846813 0.01656394 -0.00722490
-7.24821374 -10.76370092 17.43889223
-0.00016170 -0.00020694 -0.00005898
-0.03768376 0.00564962 -0.01436822
-10.19218252 -10.45952360 17.66743862
0.00034518 0.00137720 0.00023474
-0.00370016 -0.00155781 0.00557330
8.15276938 1.43770654 -29.36704974
-0.00045333 -0.00104721 0.00032307
0.00097815 0.00658715 -0.00021514
5.44222392 0.80323319 -28.34672569
-0.00000475 0.00023081 -0.00010988
-0.02166011 -0.01139193 -0.01155548
14.09371047 19.39052673 13.75261659
-0.00022244 -0.00008067 0.00001680
-0.02247803 -0.01834309 -0.02458936
13.21958992 17.70014401 11.29193719
0.00075569 0.00009279 0.00025188
-0.00031778 0.01837557 0.03219062
27.78364557 7.77029204 -11.52854363
0.00054056 0.00026737 0.00014599
0.01381631 0.00053222 -0.00743168
26.06176497 7.63262111 -9.18322334
0.00039733 0.00010293 -0.00002396
0.00302801 0.00108389 -0.01802081
-7.84327508 4.72381605 6.14414405
0.00011277 0.00003118 0.00010837
-0.00223882 -0.00473799 0.00265149
-10.33487682 9.13684584 3.02627173
0.00026847 -0.00010271 0.00022731
0.00844285 -0.00318501 0.00846965
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.07456416
0.29145509
388.34929429
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0593023256
ExchangeOperator: pair fraction: ispin=0: 0.1475175771
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.3059788948 (a.u.)
total exchange computation time: 2.8590579033 s
-153.8511102821
-931.36542469
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0593023256
ExchangeOperator: pair fraction: ispin=0: 0.1475175771
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3061775763 (a.u.)
total exchange computation time: 2.8594968319 s
-153.8498140441
Anderson extrapolation: theta=1.3783380598 (1.3783380598)
-931.36563981
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0593023256
ExchangeOperator: pair fraction: ispin=0: 0.1475175771
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3063813641 (a.u.)
total exchange computation time: 2.8600227833 s
-153.8485247500
Anderson extrapolation: theta=0.0641248456 (0.0641248456)
-931.36577472
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0593023256
ExchangeOperator: pair fraction: ispin=0: 0.1475175771
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3063337238 (a.u.)
total exchange computation time: 2.8594889641 s
-153.8489000478
Anderson extrapolation: theta=2.3039997676 (2.0000000000)
-931.36578227
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0593023256
ExchangeOperator: pair fraction: ispin=0: 0.1475175771
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3062137085 (a.u.)
total exchange computation time: 2.8596999645 s
-153.8497510097
Anderson extrapolation: theta=0.4090127701 (0.4090127701)
-931.36579269
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0593023256
ExchangeOperator: pair fraction: ispin=0: 0.1475175771
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3061595859 (a.u.)
total exchange computation time: 2.8588120937 s
-153.8500452436
Anderson extrapolation: theta=1.0841082707 (1.0841082707)
-931.36579589
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0593023256
ExchangeOperator: pair fraction: ispin=0: 0.1475175771
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3061130193 (a.u.)
total exchange computation time: 2.8618350029 s
-153.8501965494
Anderson extrapolation: theta=0.5226116302 (0.5226116302)
-931.36579847
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0593023256
ExchangeOperator: pair fraction: ispin=0: 0.1475175771
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3061038626 (a.u.)
total exchange computation time: 2.8580849171 s
-153.8501097097
Anderson extrapolation: theta=0.7819343521 (0.7819343521)
-931.36579948
64.826737 27.517657 -167.051400
561.540735 1074.523690 -406.434841
626.367472 1102.041347 -573.486240
1391.300761
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0593023256
ExchangeOperator: pair fraction: ispin=0: 0.1475175771
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3061090357 (a.u.)
total exchange computation time: 2.7950880527 s
677.81204527
-1081.73765961
89.88648749
-390.40360442
-174.61695968
77.12086842
551.60419304
0.00000000
-931.36579999
4.55980479 -30.95098788 -3.49048327
-0.00006234 -0.00018613 0.00009460
0.00070523 -0.01812903 -0.00415954
-11.73382998 2.11656699 -9.30661646
0.00022011 0.00008848 0.00016164
0.03082464 0.00497626 0.00578862
-36.20968025 1.38569598 3.13541468
0.00010534 0.00024677 0.00005795
0.01648807 0.04313860 -0.00532093
-7.43836614 -3.47405751 2.63555424
0.00010007 0.00005730 -0.00000332
-0.00176490 -0.00769341 -0.01046390
2.25514249 0.06419093 9.02606683
0.00001774 -0.00025118 0.00010701
-0.02252867 0.01127081 0.04803061
-31.06661787 1.48990484 2.60152560
-0.00025790 0.00018000 -0.00015748
-0.00158704 0.00403361 0.00545294
16.85398736 13.15929763 -18.24115023
-0.00024517 -0.00002641 -0.00045895
0.06722446 0.05287220 0.02081552
-3.44475027 5.10251651 5.52866162
-0.00006335 -0.00015354 -0.00007018
0.01278300 0.00843470 -0.04162068
5.72421549 17.05145749 -7.00655349
-0.00011215 0.00005065 -0.00001245
0.01216267 0.02320322 -0.00125337
7.23987104 5.75409109 -20.89488158
-0.00006899 0.00001990 0.00020691
0.00997500 0.00162291 -0.00027964
18.60693334 19.60493939 -5.14830804
-0.00007441 -0.00026959 -0.00012473
0.00390193 0.01329152 0.02405784
1.95182532 14.00432530 -21.22698842
0.00000903 0.00023138 -0.00006483
0.00683994 0.02112579 -0.00112427
10.48823549 -5.29477840 0.43663779
0.00031704 -0.00001855 0.00005107
-0.02362300 0.02105905 -0.02666353
-17.95732862 -4.23199165 5.34657149
0.00061478 -0.00041999 0.00003623
-0.00155571 -0.00828149 -0.01029704
-14.28887343 -1.34123433 20.65566139
-0.00004131 -0.00006263 0.00024412
0.00214217 -0.00917651 0.02439920
1.59742104 3.76056883 -4.01540792
0.00001763 -0.00005730 -0.00011599
0.01053275 -0.02259960 -0.02789215
21.24823926 -10.61471398 -4.47536149
-0.00010246 0.00005797 -0.00008009
0.01423752 0.00965965 -0.01248066
3.07032487 -10.45080095 7.76036929
0.00006329 -0.00020824 -0.00032312
-0.04130745 -0.00342629 0.02082730
-1.92122645 -1.78061534 -19.68432255
-0.00023446 0.00011531 -0.00029942
-0.00073790 -0.00355780 -0.00726882
-0.51056911 3.67109019 -10.49362568
-0.00048234 0.00030322 0.00004162
-0.01993626 -0.01677320 0.00975045
-4.97476919 14.70560337 14.45802223
0.00011691 0.00018863 -0.00005826
0.00587933 -0.01254635 -0.02604529
-5.34905127 2.76582742 -7.20233727
0.00019151 0.00001587 0.00021169
0.00978151 0.00275400 -0.00200710
-9.24754351 0.86710696 -4.03185029
-0.00000989 0.00012824 0.00009371
0.00639259 0.01715042 0.00458820
2.87613603 27.49412696 5.82367258
-0.00002970 0.00001887 0.00009490
0.00090372 0.00493207 -0.02188521
9.90070367 -10.83727568 -1.49551947
-0.00028705 -0.00006019 0.00014792
-0.04544315 0.00793916 0.01089792
-6.77059290 1.04609749 9.28426947
-0.00006698 0.00011799 0.00005715
0.00251873 0.00904152 -0.00254197
20.22530518 10.80003515 6.91410765
-0.00043690 -0.00008588 -0.00017661
0.01437955 -0.00404752 0.02387430
-3.07101009 1.07220867 -23.89292838
0.00003613 -0.00019183 -0.00004908
-0.05198190 -0.00730535 0.00305553
-13.60209581 8.75115444 8.69556800
0.00024030 -0.00023403 0.00017079
-0.00878510 -0.00244059 -0.02403995
-13.59506598 6.01424565 -3.43701997
-0.00016769 -0.00016893 -0.00026449
-0.00481894 0.01805807 -0.01669091
-2.44169754 -15.43957449 20.52984128
-0.00026607 -0.00006315 0.00001108
0.02906296 -0.00093864 0.00360742
-5.99211632 7.80246898 -7.91256035
0.00011614 0.00037317 0.00018821
0.02091701 0.00387412 -0.01980319
-19.63435967 30.33732806 0.91370976
0.00025587 -0.00017266 -0.00013584
-0.01412877 -0.01455031 0.00413058
9.85110464 3.81274324 7.95414384
-0.00005719 0.00002561 -0.00016109
0.01331986 0.01331091 0.01611900
7.25659929 16.11437166 -11.59576124
0.00014132 0.00020323 0.00009396
-0.01524804 0.02630644 -0.00392855
13.60452475 4.91038695 -1.25526848
-0.00033766 -0.00038381 -0.00002845
-0.03772258 0.03519189 -0.01423254
-6.06464578 11.59402009 -1.92208169
0.00010015 0.00044818 0.00034193
-0.00892081 0.00182993 0.01706882
7.75933142 12.56755940 5.27849328
-0.00028652 -0.00019624 0.00007956
0.03711883 -0.03746315 -0.02171268
21.54676307 -11.92493828 -9.50630571
-0.00057481 0.00020140 0.00027883
-0.05567907 -0.00883482 0.00739134
19.76300840 -5.87584505 -0.97440862
-0.00009622 0.00020820 0.00051694
-0.01836000 -0.00151899 -0.01277791
14.91553263 8.01677133 8.87289725
0.00043628 -0.00000556 0.00024664
-0.00659636 0.01634376 -0.01795685
3.84356348 -13.76759838 16.37239399
-0.00001845 -0.00004446 -0.00006583
-0.01941402 -0.01234726 0.01758623
-2.59881744 -2.31977556 -13.62322021
-0.00006422 0.00017015 0.00026054
0.01819663 -0.00294886 0.00624657
15.50476262 -7.39688715 -13.16696308
-0.00003251 -0.00008285 0.00000632
0.01701359 -0.01205208 0.00045591
9.80982889 -3.77392624 6.64203296
0.00016352 -0.00015553 -0.00024112
-0.04721859 0.01260962 -0.01612444
-19.40025934 1.41367391 24.84254632
0.00008130 0.00012266 -0.00008540
-0.01146936 -0.00257424 0.00852393
24.14987778 -1.11138384 -7.38280452
-0.00033539 0.00032961 0.00019880
0.01100041 -0.01883785 0.00108633
11.63047361 -10.41976510 -11.35642965
0.00006290 0.00030904 -0.00008758
-0.00079917 0.00645023 0.04109846
-8.90681606 -10.70889542 16.40098561
-0.00013362 0.00015518 -0.00036423
0.02189222 -0.00174906 -0.00072550
6.98424925 1.59092968 -27.92123829
0.00041825 0.00000926 -0.00010892
0.01474911 0.00615278 0.01071781
12.62401096 18.61333438 12.84091871
-0.00006607 -0.00030760 -0.00028451
0.02480053 -0.00213381 -0.00452512
26.03054163 7.55383057 -11.08408068
-0.00004339 -0.00001435 0.00003651
-0.00189744 -0.00360592 0.02742046
5.12405587 -29.90787908 -4.88257049
-0.00019244 -0.00006756 -0.00004713
0.00075494 0.01071272 0.00085969
4.00251927 -29.90592288 -2.12199995
-0.00036401 -0.00059932 -0.00046958
0.00009525 0.00271039 0.00636696
-9.94556554 2.36257726 -8.72964233
0.00075997 0.00072051 0.00056232
-0.03544664 -0.00460152 -0.01294587
-11.80573677 2.55476638 -11.10666736
-0.00006284 -0.00006856 0.00016404
-0.00005215 0.00188185 0.00678251
-36.79648886 3.28715721 2.91147245
0.00050900 -0.00011342 0.00075827
0.00771330 -0.03887957 -0.00691169
-37.53437070 0.45058252 3.86012354
-0.00095936 -0.00018235 -0.00004853
-0.02486464 -0.00993242 0.00675166
-8.66330053 -4.09514842 1.35988448
-0.00008520 0.00070727 0.00083744
-0.00079589 0.00520586 0.01015302
-6.36064937 -4.92852769 2.83055650
-0.00031422 -0.00023429 0.00008042
0.00269792 -0.00377910 0.00422576
2.87686202 -0.09577422 7.40805676
-0.00005158 0.00015223 0.00064008
0.01822221 -0.00317989 -0.04670121
1.64387047 1.80038715 9.29451250
-0.00022305 0.00035798 -0.00022210
-0.00003675 -0.01786010 -0.00233461
-29.87363951 0.06693487 2.74387356
0.00043202 0.00028403 0.00067722
-0.02213880 0.00106569 -0.00192289
-32.86833527 0.95038441 2.76986631
0.00079313 0.00046036 -0.00010267
0.02170199 -0.00093156 0.00116344
15.79345403 11.83276099 -18.43406305
0.00012593 -0.00066611 -0.00026792
-0.04954717 -0.05596947 -0.00805990
18.38137784 12.40462088 -17.36421662
0.00104807 0.00007168 -0.00040710
-0.02109839 0.00964322 -0.00782972
-2.93715875 6.74685026 6.19306362
0.00024488 -0.00037749 -0.00035363
-0.00162574 -0.00370260 -0.00013675
-2.87878935 5.17623679 3.70744194
0.00052950 -0.00014790 -0.00010788
-0.01022285 -0.00219379 0.03718817
6.03518597 16.51491424 -8.77110643
0.00094609 -0.00065871 -0.00092518
0.00489387 -0.00293336 0.00095320
7.14663736 18.23891672 -6.73006813
-0.00105965 -0.00087039 0.00088266
-0.01659980 -0.01753608 0.00036002
7.72756649 5.16787115 -22.59184538
0.00074770 0.00151553 0.00103892
-0.00788651 0.00620028 -0.00398319
8.63620590 6.93931258 -20.62475648
0.00012180 0.00000404 -0.00098545
-0.00422360 0.00307283 0.01087528
19.31317805 21.13310488 -4.23910355
0.00045229 0.00102127 -0.00046068
-0.01583931 -0.01532710 -0.00338571
19.40521590 19.67426751 -6.73640269
0.00019261 0.00061331 0.00015780
0.01328360 -0.00234521 -0.02040839
1.45644556 12.33917809 -20.66915062
-0.00029249 0.00046257 -0.00101923
-0.00444437 0.00252054 -0.00940864
0.65277490 14.88184501 -22.23736533
0.00063106 0.00023799 -0.00059152
-0.00454832 -0.01841306 0.01705134
10.06837169 -6.98468822 -0.14765629
-0.00087092 -0.00019865 0.00134950
0.00336614 0.00246812 -0.00342517
9.46746696 -4.06557501 -0.72105889
-0.00101363 0.00026906 0.00031140
0.02016827 -0.02205963 0.02776992
-18.21056357 -5.34734645 6.77909127
-0.00012439 -0.00063634 -0.00089460
-0.00226633 -0.00041796 -0.00450608
-18.74332024 -5.07649647 3.87472879
-0.00012443 0.00020350 0.00035379
0.00609674 0.00544140 0.01617130
-14.37624030 -0.16064613 19.29118083
-0.00034658 0.00096661 -0.00035766
-0.00265616 0.01073217 -0.01826726
-14.35412435 -0.32317536 22.21118989
-0.00068293 0.00046641 -0.00041688
0.00019806 -0.00543548 -0.00691954
1.12991181 2.76997540 -2.58695620
-0.00041802 -0.00051025 -0.00034210
-0.00458250 -0.00342122 0.01798078
2.02929403 2.36249228 -5.20890209
-0.00022118 0.00098839 -0.00126791
-0.00759820 0.02257036 0.01067652
21.48212498 -10.56467894 -6.40883045
-0.00111274 0.00026066 -0.00004418
0.00307580 0.00556776 0.04708509
22.69079514 -9.95235696 -3.44641096
0.00086837 0.00002637 0.00063137
-0.01864514 -0.00830326 -0.03254132
4.61219261 -10.42034635 6.95306305
-0.00007949 0.00010147 -0.00019185
0.04719384 0.00620326 -0.03200296
3.38547982 -11.71942372 9.03356295
0.00027313 0.00032282 0.00041462
-0.00717259 -0.00284189 0.00924383
-2.09486065 -3.26999793 -20.75643039
0.00016582 -0.00096456 -0.00016514
0.00372760 -0.00683749 -0.00019309
-3.29014386 -1.99875739 -18.51320914
0.00113390 -0.00032431 0.00017978
-0.00107104 0.00320690 0.00661908
0.77182944 4.91181990 -10.24236290
0.00035406 -0.00078920 -0.00152851
0.00470300 0.00936113 0.00948516
-1.40762411 3.28729866 -8.89728872
0.00125550 -0.00025576 -0.00106390
0.01771237 0.01348153 -0.01806171
-3.89328943 15.59021013 15.55978239
-0.00117574 0.00027550 -0.00029262
0.00861927 0.00841738 0.01548336
-6.66426884 15.06496555 14.94172457
0.00020721 0.00037055 -0.00096515
-0.01311908 0.00215842 0.00698087
-6.69344580 2.04917406 -6.19697005
0.00027650 0.00032285 0.00070471
-0.00801774 -0.00589918 0.01190804
-4.84432898 1.44415812 -8.32701332
-0.00028799 0.00076212 -0.00013700
-0.00445295 -0.00283935 -0.00822889
-9.94647000 -0.81465185 -3.81371892
0.00032862 0.00041426 -0.00031085
-0.00183744 0.01789090 0.01085903
-9.65771927 2.27900332 -2.74363412
-0.00026885 0.00015862 0.00004240
0.00663266 -0.03278511 -0.02436755
3.28602919 29.01047883 4.79912817
0.00050162 -0.00020307 0.00015025
-0.00418150 -0.01324368 0.02101240
3.16872040 27.62152199 7.60505399
-0.00058786 0.00003460 -0.00128674
0.00465309 0.01700875 0.00240088
8.04611927 -10.94869190 -1.01226751
-0.00056982 -0.00066742 -0.00070999
0.03632146 0.00608608 -0.01867824
10.73468774 -11.23062305 0.12076907
-0.00018381 -0.00081586 -0.00056186
0.00027225 -0.00498220 -0.00594583
-5.51479380 -0.11662348 8.70696486
0.00023164 -0.00071083 -0.00031435
0.02976482 -0.00141095 -0.00139241
-8.15195484 -0.05129099 9.03480485
0.00008322 0.00020376 -0.00016565
-0.03221030 -0.00708735 0.00395046
20.38391313 10.93010891 8.77243547
-0.00023581 -0.00045432 0.00080525
-0.01472416 -0.00339317 -0.01065476
22.04775050 10.84208230 6.64689908
0.00138894 -0.00055983 0.00027437
0.00585359 0.00400907 -0.01175619
-2.85998413 -0.22696365 -22.50085023
-0.00031511 0.00045064 -0.00105419
-0.00904440 0.02718484 -0.01153063
-5.01241483 1.43044603 -24.12477697
0.00001514 0.00050882 0.00018170
0.06146525 -0.01617706 0.00995240
-12.47698491 9.92981888 9.57351751
0.00068789 0.00062632 -0.00013737
0.00359293 -0.00310986 0.00956642
-13.46209063 9.46761235 6.98497891
-0.00015857 -0.00049121 0.00025234
-0.00938824 -0.00740267 0.01519737
-14.69345800 4.85429264 -4.40475289
-0.00092930 0.00003965 0.00015678
0.01141494 0.00954611 -0.00122562
-13.68631779 7.75749396 -4.16933617
0.00040341 -0.00030641 -0.00090015
-0.00424976 -0.03384007 0.01244226
-4.19095383 -15.65762904 20.37577312
-0.00038231 -0.00048563 0.00036754
-0.02989998 -0.00845026 -0.00250478
-1.69175350 -16.75353533 19.47671998
-0.00055440 -0.00030951 -0.00047793
-0.00588824 0.00845730 0.00366766
-5.35598540 6.11662742 -7.55092237
-0.00038904 0.00056679 0.00006112
-0.01840843 0.00061868 0.00639788
-7.42774036 8.34632825 -6.93619687
0.00028835 -0.00013066 0.00041858
-0.00203797 -0.00384593 0.00668545
-20.93848203 29.00894360 0.87606176
-0.00016560 -0.00068128 0.00082513
0.01178588 0.01723241 -0.00425611
-18.08172355 29.48208809 0.43154303
0.00045132 0.00038840 -0.00102999
-0.00071992 0.00091263 0.00562792
9.28303445 2.81582525 6.61073659
-0.00002783 0.00053001 0.00086300
-0.01121243 -0.02335079 -0.02581908
9.10256023 5.47284222 7.70790502
0.00069583 -0.00068093 0.00039367
0.00347499 0.00599770 0.01157210
7.75279294 17.74849053 -12.33519417
-0.00048776 0.00018255 0.00006662
0.00291282 -0.02111494 0.00613247
8.42655411 14.90884042 -12.23751921
-0.00046444 0.00045092 -0.00020209
0.01063264 -0.00869190 -0.00383184
12.01893463 5.99889376 -1.09568207
0.00032187 0.00017214 -0.00033462
0.04121527 -0.02475419 -0.00723529
13.61771555 3.89169449 0.23551014
0.00008037 -0.00068013 -0.00009662
0.00086656 -0.01158323 0.02345256
-4.46237824 10.75522079 -1.92651244
-0.00038431 -0.00158367 0.00058410
0.01549037 -0.00584386 -0.00205094
-7.10672907 10.77571532 -0.62375785
0.00033595 -0.00063218 0.00101425
0.00999478 0.00514658 -0.00975198
7.43744110 14.26722022 4.92379226
0.00001213 0.00084110 0.00054856
-0.00390523 0.03193852 -0.00820474
9.25729705 12.01685255 4.15934176
0.00080806 -0.00043608 0.00018267
-0.03253416 0.01158234 0.02484544
20.28428181 -13.15342526 -8.74654772
-0.00084237 0.00001965 0.00009146
0.02269466 0.02481102 -0.01579536
23.18002061 -12.49800916 -9.11025151
0.00034588 -0.00051011 -0.00118182
0.02193894 -0.01271339 0.00426751
19.81567310 -4.95239217 -2.57897894
-0.00072940 -0.00004888 -0.00014426
-0.00006326 0.00195461 0.00270612
18.19287565 -6.87278303 -1.21083831
-0.00043551 -0.00037935 0.00024745
0.01863865 0.00238664 0.00902328
13.97209496 9.58251667 9.07357772
0.00001510 -0.00039791 0.00092202
0.00045983 -0.01120738 -0.00596884
15.22674125 7.65196830 10.59359982
0.00052819 -0.00000006 0.00024562
0.01053918 -0.01035506 0.02986520
2.95200288 -15.01185558 17.44318450
0.00043834 0.00090589 -0.00015848
0.01085032 -0.00621453 -0.01604864
3.20235409 -12.31080440 17.28242386
-0.00061133 -0.00047350 0.00020357
0.00996958 0.01351714 -0.00863273
-2.62787201 -3.75759002 -12.49705050
-0.00015739 0.00042327 -0.00025792
-0.00566161 -0.00013347 -0.00454063
-0.79073027 -1.80857008 -13.59360886
0.00079439 -0.00058782 -0.00128582
-0.01534727 0.00381008 -0.00194148
15.95592733 -7.45982806 -14.99551419
-0.00071143 0.00029977 -0.00055776
-0.00168212 -0.00806742 0.01806070
16.81459040 -8.34184138 -12.19023613
0.00057916 0.00010160 -0.00003331
-0.01780956 0.01866453 -0.01728712
8.05838624 -3.50657439 5.88841044
0.00003224 0.00096449 -0.00059168
0.02987680 -0.00432742 0.01897149
10.59732226 -4.48805728 5.18653763
0.00117701 -0.00079471 0.00000561
0.01676267 -0.00387530 -0.00953437
-20.94475444 0.51907668 25.26951244
-0.00034553 -0.00131860 0.00028756
0.00264528 -0.00457478 -0.00896884
-19.44830846 2.79524756 26.07776951
-0.00083478 -0.00070491 0.00005536
0.00424756 0.00266107 -0.00377266
25.22617717 -2.67433461 -7.45545317
-0.00005442 -0.00039043 -0.00088474
-0.01072076 0.01684340 0.00385278
23.51685319 -0.89415097 -9.08015016
0.00015678 0.00012261 -0.00057666
0.00674490 0.00328989 -0.00262322
11.92997733 -10.29659739 -9.48274141
0.00044882 -0.00126458 -0.00021816
-0.00149414 -0.00522629 -0.02349745
12.94932546 -9.41267257 -12.10412842
-0.00025860 0.00035661 -0.00037096
0.00951221 0.01723773 -0.00718838
-7.25179396 -10.76663191 17.43756720
-0.00031521 -0.00018343 -0.00011901
-0.03746122 0.00586033 -0.01501604
-10.18711813 -10.43891333 17.67113045
0.00033176 0.00137003 0.00025403
-0.00286967 -0.00195313 0.00387068
8.14599945 1.42220023 -29.36221027
-0.00044212 -0.00102018 0.00031519
0.00450614 0.00664593 -0.00364215
5.44148900 0.80634621 -28.34872803
-0.00008894 0.00018668 -0.00015475
-0.01955123 -0.01020653 -0.01040789
14.08968505 19.38875457 13.75211508
-0.00031501 -0.00015538 -0.00008338
-0.02283571 -0.01822795 -0.02444750
13.23091557 17.70209898 11.29670182
0.00075471 0.00016479 0.00037852
-0.00016449 0.01686998 0.02979921
27.79217727 7.77431886 -11.52658156
0.00058855 0.00026846 0.00011656
0.00967585 0.00000043 -0.00697325
26.06781776 7.63419820 -9.18413500
0.00040861 0.00010706 -0.00009637
0.00249265 0.00094093 -0.01742326
-7.84158951 4.72427105 6.14577665
0.00011197 0.00002950 0.00010932
-0.00226325 -0.00463794 0.00267675
-10.33083500 9.13529967 3.02969606
0.00027043 -0.00010344 0.00022925
0.00841092 -0.00311452 0.00828277
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.07530401
0.29049598
387.07133446
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0593023256
ExchangeOperator: pair fraction: ispin=0: 0.1475175771
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.3021654944 (a.u.)
total exchange computation time: 2.7940778732 s
-153.8393967509
-931.36428559
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0593023256
ExchangeOperator: pair fraction: ispin=0: 0.1475175771
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3024773266 (a.u.)
total exchange computation time: 2.7955780029 s
-153.8376041965
Anderson extrapolation: theta=1.3783097871 (1.3783097871)
-931.36450403
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0593023256
ExchangeOperator: pair fraction: ispin=0: 0.1475175771
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.3028787380 (a.u.)
total exchange computation time: 2.7944040298 s
-153.8355060136
Anderson extrapolation: theta=0.0619530724 (0.0619530724)
-931.36463992
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0593023256
ExchangeOperator: pair fraction: ispin=0: 0.1475175771
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3028752578 (a.u.)
total exchange computation time: 2.7942590714 s
-153.8357490025
Anderson extrapolation: theta=2.2136218992 (2.0000000000)
-931.36464693
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0593023256
ExchangeOperator: pair fraction: ispin=0: 0.1475175771
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3028561670 (a.u.)
total exchange computation time: 2.7941598892 s
-153.8363257213
Anderson extrapolation: theta=0.3483179280 (0.3483179280)
-931.36465617
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0593023256
ExchangeOperator: pair fraction: ispin=0: 0.1475175771
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3028486525 (a.u.)
total exchange computation time: 2.7987160683 s
-153.8364989788
Anderson extrapolation: theta=1.2150655749 (1.2150655749)
-931.36465864
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0593023256
ExchangeOperator: pair fraction: ispin=0: 0.1475175771
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3028494678 (a.u.)
total exchange computation time: 2.7930648327 s
-153.8365784091
Anderson extrapolation: theta=0.4457091174 (0.4457091174)
-931.36466081
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0593023256
ExchangeOperator: pair fraction: ispin=0: 0.1475175771
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3028604953 (a.u.)
total exchange computation time: 2.7936069965 s
-153.8364852769
Anderson extrapolation: theta=0.8971885613 (0.8971885613)
-931.36466154
64.917137 27.486197 -167.054664
561.515105 1074.521086 -406.499136
626.432241 1102.007283 -573.553800
1391.330790
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0593023256
ExchangeOperator: pair fraction: ispin=0: 0.1475175771
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3028778850 (a.u.)
total exchange computation time: 2.7752411366 s
677.76234656
-1081.63753329
89.89324639
-390.47096043
-174.60888328
77.06631890
551.60419304
0.00000000
-931.36466194
4.55887239 -30.95384982 -3.48908031
-0.00006152 -0.00019597 0.00009140
0.00248358 -0.02012078 -0.00828083
-11.73040949 2.11791339 -9.30416952
0.00023676 0.00009115 0.00016497
0.03393443 0.00542235 0.00715678
-36.20803650 1.38956387 3.13626335
0.00011217 0.00026723 0.00005636
0.01006414 0.03642052 -0.00085470
-7.43687190 -3.47322763 2.63546412
0.00009984 0.00005377 -0.00000786
0.00087856 -0.00604148 -0.00720690
2.25532176 0.06046670 9.02785726
0.00000539 -0.00024431 0.00013281
-0.02552968 0.01543214 0.05228154
-31.07049254 1.49262045 2.59918443
-0.00025650 0.00018211 -0.00015474
0.00706143 0.00417327 0.00519419
16.85056915 13.15910542 -18.24795426
-0.00021041 -0.00000046 -0.00044793
0.06792572 0.04805131 0.02204955
-3.44565126 5.10024591 5.52744835
-0.00005670 -0.00014951 -0.00009196
0.01308003 0.00724044 -0.04306151
5.72258013 17.05230673 -7.00674503
-0.00010727 0.00006060 -0.00001508
0.00682557 0.01547750 -0.00898101
7.23887474 5.75439589 -20.89177895
-0.00006383 0.00002165 0.00020787
0.01006876 0.00519096 0.00399633
18.60583218 19.60094675 -5.15008626
-0.00007180 -0.00026144 -0.00011174
0.00628263 0.01839884 0.02646634
1.95198709 14.00787753 -21.22796524
0.00001290 0.00024281 -0.00006554
0.00822676 0.02332886 -0.00163997
10.49289992 -5.29497546 0.43730097
0.00030437 -0.00000740 0.00003710
-0.02564272 0.02231922 -0.02764749
-17.94811289 -4.23832347 5.34707528
0.00061404 -0.00042365 0.00003051
-0.00131594 -0.00595441 -0.01196315
-14.28948476 -1.34220916 20.65941728
-0.00004040 -0.00006583 0.00025449
0.00138754 -0.00328527 0.01592021
1.59772614 3.75962215 -4.01725541
0.00002285 -0.00006874 -0.00012992
0.00974272 -0.02189403 -0.02624919
21.24675723 -10.61380715 -4.47661096
-0.00009419 0.00006338 -0.00008517
0.01792016 0.01136043 -0.00727730
3.07111484 -10.45393779 7.75560277
0.00004184 -0.00021027 -0.00031205
-0.04208563 -0.00445885 0.02225043
-1.92474618 -1.77889942 -19.68884185
-0.00023381 0.00011255 -0.00030466
0.00324763 -0.00715578 -0.01312289
-0.51788108 3.67557377 -10.49296371
-0.00049165 0.00029464 0.00004375
-0.01628720 -0.01657215 -0.00148416
-4.97299283 14.70838444 14.45704788
0.00011922 0.00018113 -0.00007290
0.00308469 -0.01663496 -0.03088480
-5.34614088 2.76607612 -7.19916973
0.00019611 0.00001807 0.00021143
0.00810642 0.00578711 0.00101959
-9.24766717 0.86909677 -4.03042690
-0.00000622 0.00013785 0.00009590
0.00787570 0.02019185 0.00390003
2.87569406 27.49442897 5.82501171
-0.00002974 0.00002107 0.00008078
-0.00108137 0.00364457 -0.03302130
9.89622265 -10.83814794 -1.49325860
-0.00031065 -0.00005608 0.00015274
-0.04631432 0.00804363 0.00785271
-6.77158790 1.04790221 9.28511686
-0.00006422 0.00012156 0.00005526
0.00821226 0.00483634 -0.00480845
20.21880718 10.79873131 6.91155062
-0.00042644 -0.00008790 -0.00016338
0.02629700 -0.00381906 0.02755029
-3.07066863 1.06930304 -23.89365285
0.00000922 -0.00019426 -0.00004881
-0.05267976 -0.00213820 -0.00198472
-13.59852525 8.74763462 8.69803707
0.00023642 -0.00023472 0.00015940
-0.00627068 -0.00024696 -0.02024685
-13.59759998 6.01178134 -3.44105167
-0.00017026 -0.00015959 -0.00027315
-0.00515474 0.01827190 -0.01697919
-2.44557645 -15.44052531 20.53002134
-0.00025148 -0.00006412 0.00001251
0.02767454 -0.00285600 0.00195888
-5.99029351 7.80808153 -7.90981367
0.00012677 0.00037563 0.00017788
0.02040950 0.00566489 -0.02033343
-19.63057616 30.33468210 0.91168810
0.00024805 -0.00018074 -0.00013374
-0.01626860 -0.01689647 0.00403338
9.85029810 3.81317880 7.95178973
-0.00004876 0.00003210 -0.00015069
0.01945928 0.01191509 0.02430595
7.25866030 16.11752160 -11.59436706
0.00013271 0.00021702 0.00009247
-0.01823482 0.02731979 -0.00185379
13.59931439 4.90476561 -1.25575014
-0.00035645 -0.00036607 -0.00003571
-0.03535439 0.03377925 -0.01398907
-6.06317799 11.60074980 -1.91688684
0.00009590 0.00044761 0.00035184
-0.00761086 -0.00402584 0.02144617
7.75517683 12.56447124 5.27960296
-0.00026724 -0.00021368 0.00006763
0.03785163 -0.03033289 -0.02467135
21.53792619 -11.92195139 -9.50209470
-0.00060187 0.00019631 0.00028298
-0.04955304 -0.01096743 0.00871702
19.76149426 -5.87272790 -0.96670377
-0.00010648 0.00020725 0.00050953
-0.02153899 -0.00219254 -0.01605258
14.92205135 8.01675091 8.87652751
0.00043294 0.00000269 0.00023772
-0.00638436 0.01576819 -0.01672202
3.84321184 -13.76831284 16.37147433
-0.00002779 -0.00004969 -0.00005744
-0.01690927 -0.00799535 0.01506788
-2.59971053 -2.31723473 -13.61928797
-0.00005399 0.00016967 0.00026292
0.02158022 0.00108218 0.00300269
15.50434066 -7.39817645 -13.16686646
-0.00002352 -0.00008912 0.00000628
0.01793394 -0.01230960 -0.00064364
9.81209949 -3.77621062 6.63835396
0.00013945 -0.00014931 -0.00025023
-0.04638194 0.01159085 -0.01929773
-19.39908414 1.41550381 24.84129817
0.00007359 0.00011958 -0.00008100
-0.01849194 -0.00937777 0.00859984
24.14488933 -1.10651230 -7.37981830
-0.00032943 0.00031905 0.00019805
0.01218313 -0.02224067 -0.00402916
11.63141409 -10.41510467 -11.35758483
0.00006226 0.00031199 -0.00006683
-0.00168907 0.00501723 0.03958938
-8.90873596 -10.70657441 16.39551938
-0.00012280 0.00015435 -0.00036392
0.02020366 -0.00148060 0.00194432
6.99057988 1.59109231 -27.92283074
0.00042408 0.00001198 -0.00010274
0.00791744 0.00442865 0.01329515
12.62311553 18.60871222 12.83663359
-0.00005351 -0.00030831 -0.00028622
0.02404257 -0.00066399 -0.00211347
26.02988348 7.55360143 -11.08342721
-0.00004316 -0.00001601 0.00005019
0.00279380 -0.00284992 0.02577558
5.12119244 -29.90856427 -4.88325105
-0.00019017 -0.00002502 -0.00004221
0.00035465 0.01011443 0.00154568
3.99706196 -29.91482965 -2.12884856
-0.00036614 -0.00058260 -0.00043650
-0.00113801 0.00547609 0.00982731
-9.93525216 2.37324383 -8.72160422
0.00060805 0.00070047 0.00050624
-0.03891895 -0.00520806 -0.01450490
-11.80668092 2.55379558 -11.10399890
-0.00006184 -0.00006070 0.00019167
0.00053931 0.00196851 0.00674150
-36.78861757 3.28426452 2.92263471
0.00053891 -0.00026988 0.00072941
0.00693019 -0.03771065 -0.00721500
-37.54952309 0.44754298 3.85960255
-0.00104676 -0.00021245 -0.00002901
-0.01791574 -0.00480310 0.00280004
-8.66460290 -4.08437982 1.37275719
-0.00009352 0.00072527 0.00087260
-0.00327860 0.00360456 0.00705872
-6.36528006 -4.93215784 2.83189230
-0.00030335 -0.00024962 0.00009727
0.00262617 -0.00372480 0.00402232
2.87664678 -0.09358814 7.41622688
0.00002701 0.00013803 0.00044043
0.02024673 -0.00377521 -0.05102900
1.64052363 1.80520953 9.29110945
-0.00022121 0.00027759 -0.00023175
0.00093754 -0.02149205 -0.00238655
-29.86783766 0.07122803 2.75397300
0.00033764 0.00029202 0.00066855
-0.02405719 0.00284518 -0.00232470
-32.85577326 0.95726122 2.76836187
0.00086877 0.00045188 -0.00009670
0.01532498 -0.00321779 0.00175828
15.79382474 11.82105424 -18.43832888
-0.00006952 -0.00088781 -0.00029911
-0.04612967 -0.05255411 -0.00720652
18.39645243 12.40599164 -17.37056308
0.00095326 0.00011421 -0.00044258
-0.02531549 0.01117322 -0.00953647
-2.93353531 6.74107446 6.18775505
0.00023878 -0.00038941 -0.00035218
-0.00136295 -0.00213298 0.00084411
-2.87116018 5.17395111 3.70696333
0.00048662 -0.00015754 0.00004508
-0.01076477 -0.00252669 0.03768747
6.04952725 16.50494374 -8.78495497
0.00096412 -0.00066565 -0.00090783
0.00393472 -0.00046297 0.00754108
7.13023387 18.22532349 -6.71681725
-0.00111470 -0.00093139 0.00088599
-0.01034559 -0.01232493 0.00127283
7.73854028 5.19079403 -22.57638370
0.00071567 0.00153192 0.00100870
-0.00779315 0.00182430 -0.01080833
8.63790342 6.93946728 -20.63920492
0.00010416 0.00001866 -0.00093656
-0.00440891 0.00408452 0.01305476
19.31947707 21.14795421 -4.24611753
0.00038244 0.00094925 -0.00047693
-0.01835424 -0.01992603 -0.00456683
19.40851207 19.68339525 -6.73466106
0.00024694 0.00060230 0.00007248
0.01331168 -0.00304263 -0.02135620
1.45192209 12.34619384 -20.68472734
-0.00031205 0.00046660 -0.00105526
-0.00513010 -0.00054677 -0.00822885
0.66210137 14.88485056 -22.24571561
0.00061081 0.00016427 -0.00052293
-0.00536327 -0.01766896 0.01652184
10.05541111 -6.98759236 -0.12751872
-0.00085684 -0.00018773 0.00133529
0.00352438 0.00287941 -0.00353330
9.45288056 -4.06221511 -0.71553697
-0.00092743 0.00017595 0.00042712
0.02202583 -0.02351742 0.02887556
-18.21249890 -5.35690434 6.76553422
-0.00013395 -0.00064178 -0.00090577
-0.00241201 -0.00224491 -0.00096457
-18.74499989 -5.07327723 3.88053117
-0.00010022 0.00022501 0.00041575
0.00575456 0.00508798 0.01416050
-14.38152046 -0.14581808 19.28525612
-0.00035628 0.00099728 -0.00041968
-0.00209139 0.00427878 -0.01209063
-14.36436221 -0.31634579 22.20472466
-0.00068170 0.00044496 -0.00044097
0.00040265 -0.00506445 -0.00487082
1.12350110 2.76221686 -2.59153670
-0.00043522 -0.00052326 -0.00027304
-0.00383913 -0.00294904 0.01582278
2.02574352 2.37800977 -5.22759362
-0.00025212 0.00107810 -0.00122304
-0.00754997 0.02134057 0.01128714
21.46552815 -10.56059842 -6.40805024
-0.00109742 0.00028346 0.00014554
0.00442361 0.00559432 0.04577996
22.70324932 -9.95221582 -3.43793758
0.00078258 -0.00001139 0.00049040
-0.02334890 -0.01018182 -0.03646606
4.61244636 -10.41863420 6.94920469
0.00011464 0.00012647 -0.00032326
0.04783685 0.00603540 -0.03232698
3.38935692 -11.71466844 9.04006551
0.00024383 0.00031319 0.00044979
-0.00716777 -0.00187198 0.00797161
-2.09225908 -3.28467586 -20.75891336
0.00018129 -0.00098347 -0.00016055
0.00384572 -0.00241915 0.00244008
-3.27316818 -2.00352383 -18.51030964
0.00112134 -0.00031263 0.00021373
-0.00507624 0.00251174 0.01000292
0.77728452 4.90026878 -10.26499982
0.00037696 -0.00074715 -0.00148758
0.00650214 0.01122044 0.01054850
-1.38824878 3.28387539 -8.91380071
0.00131725 -0.00020453 -0.00111702
0.01251216 0.01159684 -0.00794178
-3.91066136 15.59460052 15.55586762
-0.00113003 0.00031806 -0.00021974
0.01375330 0.01241687 0.02018997
-6.66156269 15.07058992 14.92746118
0.00014883 0.00037968 -0.00093635
-0.01545933 0.00231063 0.00711731
-6.68954396 2.05383599 -6.18603453
0.00024528 0.00029854 0.00075142
-0.00726817 -0.00600068 0.01095980
-4.84878535 1.45550294 -8.32932041
-0.00030476 0.00074473 -0.00017501
-0.00375229 -0.00567448 -0.01037958
-9.94159696 -0.80788975 -3.81804893
0.00031818 0.00048066 -0.00026545
-0.00327267 0.01461187 0.01136617
-9.66154880 2.28037794 -2.74374480
-0.00024184 0.00002487 -0.00005694
0.00658870 -0.03268283 -0.02426127
3.29342536 29.00702701 4.80202574
0.00048457 -0.00025617 0.00023461
-0.00416278 -0.01275245 0.02028431
3.16004507 27.62256224 7.58582646
-0.00056479 0.00010565 -0.00125272
0.00664007 0.01777078 0.01425058
8.03868500 -10.95851665 -1.02348970
-0.00042048 -0.00064208 -0.00078468
0.03677987 0.00631772 -0.01788177
10.73193901 -11.24301356 0.11215900
-0.00018166 -0.00083669 -0.00058134
0.00077692 -0.00521738 -0.00359330
-5.51040712 -0.12732923 8.70220692
0.00034338 -0.00070722 -0.00031524
0.02493502 0.00318259 0.00095595
-8.15169357 -0.04845179 9.03244117
-0.00004993 0.00017400 -0.00014961
-0.03296562 -0.00747945 0.00390171
20.37992473 10.92319015 8.78418771
-0.00029657 -0.00046851 0.00074982
-0.01501494 -0.00355460 -0.01647617
22.06876395 10.83380777 6.65065438
0.00138986 -0.00054325 0.00023052
-0.00540230 0.00410257 -0.00971006
-2.86498798 -0.21937100 -22.51701641
-0.00035046 0.00055181 -0.00109130
-0.00825774 0.02233859 -0.00663391
-5.01030425 1.43758258 -24.12174648
0.00026613 0.00044194 0.00022185
0.06139571 -0.01656188 0.00970099
-12.46655647 9.93911843 9.57175004
0.00069740 0.00060831 -0.00010191
0.00106101 -0.00570547 0.00779581
-13.46475682 9.46001728 6.98922971
-0.00019681 -0.00052047 0.00031115
-0.00933060 -0.00691962 0.01359240
-14.70704771 4.85517992 -4.40243872
-0.00088132 0.00007915 0.00015253
0.01207359 0.00978805 -0.00085712
-13.68039684 7.75186081 -4.18245721
0.00038593 -0.00044463 -0.00084888
-0.00430875 -0.03381963 0.01265455
-4.19760478 -15.66517246 20.38120950
-0.00050091 -0.00051958 0.00035811
-0.02815299 -0.00817012 -0.00211101
-1.70024989 -16.75791885 19.46966348
-0.00057920 -0.00027155 -0.00046032
-0.00625193 0.01012645 0.00495238
-5.36238506 6.12514829 -7.54980951
-0.00046103 0.00056373 0.00008783
-0.01683347 -0.00211734 0.00667766
-7.42347757 8.34425057 -6.92971337
0.00027815 -0.00014505 0.00044641
-0.00295358 -0.00319856 0.00694158
-20.94060481 28.99925239 0.88830832
-0.00011039 -0.00060571 0.00080690
0.01523800 0.01976269 -0.00467010
-18.07497574 29.48794202 0.41626559
0.00044538 0.00039183 -0.00100604
-0.00218811 0.00076737 0.00609814
9.28227342 2.82305981 6.62289041
-0.00008003 0.00042359 0.00074292
-0.01433847 -0.02874002 -0.03296144
9.11310410 5.46281204 7.71416473
0.00070366 -0.00064283 0.00043865
0.00036065 0.01265434 0.01044598
7.74556583 17.75058180 -12.33400696
-0.00047468 0.00009891 0.00009042
0.00348789 -0.01982760 0.00551656
8.41991333 14.91533793 -12.24066802
-0.00041617 0.00041063 -0.00022038
0.01299819 -0.01103276 -0.00511853
12.02502558 6.00071730 -1.10092314
0.00048683 0.00007182 -0.00036252
0.03953430 -0.02435051 -0.00641823
13.61894764 3.88113761 0.23477948
0.00008253 -0.00072513 -0.00000269
0.00019276 -0.01044679 0.02252697
-4.46766818 10.73128666 -1.91781374
-0.00032751 -0.00160175 0.00057363
0.01231072 -0.00300818 -0.00307616
-7.10138360 10.76639030 -0.60884301
0.00037986 -0.00060464 0.00096705
0.01150116 0.00833705 -0.01335122
7.43750336 14.28081534 4.93176921
0.00000041 0.00095461 0.00051827
-0.00182910 0.02362667 -0.00662264
9.26842099 12.01066634 4.16284321
0.00066960 -0.00038634 0.00028722
-0.03524047 0.01276220 0.02633292
20.27234168 -13.15237016 -8.74565985
-0.00074763 0.00012127 0.00002681
0.02368312 0.02492974 -0.01584909
23.18588107 -12.50605047 -9.12784807
0.00042062 -0.00055785 -0.00116743
0.01464668 -0.01065430 0.00277613
19.80473016 -4.95306555 -2.58105998
-0.00072898 -0.00004284 -0.00012832
0.00027127 0.00100350 0.00509755
18.18691416 -6.87840022 -1.20685000
-0.00035337 -0.00036619 0.00028609
0.02156980 0.00405632 0.00989046
13.97233552 9.57620464 9.08722509
0.00001618 -0.00044197 0.00089675
0.00007028 -0.01036357 -0.00639891
15.23498711 7.65165013 10.59819933
0.00057153 -0.00004278 0.00036596
0.01067302 -0.01055799 0.02904182
2.95891041 -14.99845762 17.44031553
0.00047702 0.00086977 -0.00021767
0.00808653 -0.01146750 -0.01292780
3.19348963 -12.31749265 17.28521293
-0.00057009 -0.00041623 0.00016698
0.01021614 0.01451324 -0.00928254
-2.63040639 -3.75124505 -12.50105848
-0.00018021 0.00041625 -0.00027116
-0.00551007 -0.00330411 -0.00193873
-0.77928472 -1.81727065 -13.61295571
0.00072417 -0.00057404 -0.00129218
-0.01902429 0.00293843 -0.00116770
15.94520434 -7.45557871 -15.00332717
-0.00071789 0.00026598 -0.00047964
-0.00147927 -0.00847484 0.02017893
16.82273205 -8.33974542 -12.19126547
0.00050410 0.00017898 -0.00010637
-0.01893101 0.01921209 -0.01847915
8.05978537 -3.49223960 5.88011657
0.00015917 0.00094438 -0.00051427
0.03225472 -0.00551728 0.01892385
10.61549104 -4.50009676 5.18632969
0.00123902 -0.00080638 -0.00002656
0.01359234 -0.00183707 -0.00621719
-20.94985635 0.49915747 25.27355097
-0.00032109 -0.00132921 0.00024647
0.00931853 -0.00061846 -0.01114586
-19.46069999 2.78475538 26.07848428
-0.00081694 -0.00068860 0.00004385
0.00448332 0.00532630 -0.00185935
25.22503239 -2.67967499 -7.46860624
-0.00010195 -0.00031499 -0.00086621
-0.01254564 0.02008746 0.00522016
23.51941154 -0.89221097 -9.08888042
0.00018596 0.00013627 -0.00057978
0.00754231 0.00339393 0.00109726
11.93666379 -10.31572622 -9.48673386
0.00044345 -0.00128397 -0.00031188
-0.00113124 -0.00426424 -0.02237857
12.94573801 -9.40679517 -12.10991307
-0.00021849 0.00042763 -0.00039972
0.01011869 0.01752399 -0.00688842
-7.25767003 -10.76920374 17.43532189
-0.00046637 -0.00015917 -0.00018103
-0.03653188 0.00601615 -0.01534181
-10.18222962 -10.41842276 17.67505949
0.00032203 0.00136107 0.00026590
-0.00189380 -0.00243081 0.00193926
8.13950567 1.40710123 -29.35759401
-0.00041652 -0.00099314 0.00029322
0.00802539 0.00658921 -0.00711392
5.43955585 0.80883370 -28.35136823
-0.00016291 0.00014817 -0.00019451
-0.01665934 -0.00864538 -0.00905372
14.08426011 19.38586529 13.75011527
-0.00040760 -0.00022872 -0.00018188
-0.02248560 -0.01767126 -0.02376816
13.24223115 17.70508784 11.30329273
0.00075483 0.00022976 0.00049388
0.00022323 0.01492977 0.02666876
27.80130197 7.77834571 -11.52504686
0.00061919 0.00026731 0.00008910
0.00532325 -0.00056163 -0.00647049
26.07402332 7.63583296 -9.18611446
0.00041775 0.00011061 -0.00016537
0.00198138 0.00079673 -0.01635348
-7.83991608 4.72470114 6.14742362
0.00011115 0.00002786 0.00011028
-0.00228545 -0.00453361 0.00271127
-10.32676391 9.13374266 3.03314922
0.00027238 -0.00010415 0.00023115
0.00836933 -0.00301869 0.00807137
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.07531665
0.28934529
385.53809867
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0593023256
ExchangeOperator: pair fraction: ispin=0: 0.1475175771
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3008867995 (a.u.)
total exchange computation time: 2.7754418850 s
-153.8326153322
-931.36304825
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0593023256
ExchangeOperator: pair fraction: ispin=0: 0.1475175771
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.3011727519 (a.u.)
total exchange computation time: 2.7774491310 s
-153.8309160753
Anderson extrapolation: theta=1.3478037987 (1.3478037987)
-931.36325888
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0593023256
ExchangeOperator: pair fraction: ispin=0: 0.1475175771
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3015086656 (a.u.)
total exchange computation time: 2.7770528793 s
-153.8290561970
Anderson extrapolation: theta=0.0501683811 (0.0501683811)
-931.36338399
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0593023256
ExchangeOperator: pair fraction: ispin=0: 0.1475175771
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.3014816715 (a.u.)
total exchange computation time: 2.7757871151 s
-153.8293672316
Anderson extrapolation: theta=1.9437404210 (1.9437404210)
-931.36338859
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0593023256
ExchangeOperator: pair fraction: ispin=0: 0.1475175771
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3014117295 (a.u.)
total exchange computation time: 2.7780990601 s
-153.8300686617
Anderson extrapolation: theta=0.2241210162 (0.2241210162)
-931.36339364
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0593023256
ExchangeOperator: pair fraction: ispin=0: 0.1475175771
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.3013899283 (a.u.)
total exchange computation time: 2.7758440971 s
-153.8302292453
Anderson extrapolation: theta=1.9172902958 (1.9172902958)
-931.36339467
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0593023256
ExchangeOperator: pair fraction: ispin=0: 0.1475175771
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3013592439 (a.u.)
total exchange computation time: 2.7758421898 s
-153.8304062007
Anderson extrapolation: theta=0.2888908970 (0.2888908970)
-931.36339602
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0593023256
ExchangeOperator: pair fraction: ispin=0: 0.1475175771
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.3013618016 (a.u.)
total exchange computation time: 2.7780110836 s
-153.8303347143
Anderson extrapolation: theta=1.3139759766 (1.3139759766)
-931.36339634
65.009165 71.826825 -167.060024
561.489029 1074.516393 -406.563752
626.498194 1146.343219 -573.623776
1426.761016
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0593023256
ExchangeOperator: pair fraction: ispin=0: 0.1475175771
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3013732210 (a.u.)
total exchange computation time: 2.7772819996 s
677.73946118
-1081.59582752
89.89828130
-390.49858324
-174.60535507
77.04424368
551.60419304
0.00000000
-931.36339657
4.55795915 -30.95686699 -3.48774124
-0.00005980 -0.00020675 0.00008612
0.00422548 -0.02178179 -0.01225917
-11.72672720 2.11930163 -9.30166738
0.00025473 0.00009402 0.00016894
0.03593594 0.00571150 0.00827820
-36.20631511 1.39371274 3.13710543
0.00011569 0.00028401 0.00005709
0.00362678 0.02886923 0.00369400
-7.43537089 -3.47244436 2.63531841
0.00010104 0.00005108 -0.00001068
0.00379534 -0.00443252 -0.00377254
2.25530407 0.05686153 9.03005102
-0.00000818 -0.00023554 0.00016012
-0.02722588 0.01868163 0.05393198
-31.07431274 1.49536826 2.59688334
-0.00025054 0.00018442 -0.00015216
0.01609816 0.00479771 0.00484717
16.84767496 13.15928392 -18.25458817
-0.00017605 0.00002239 -0.00043648
0.06570030 0.04078439 0.02247249
-3.44645134 5.09803117 5.52590287
-0.00004998 -0.00014611 -0.00011422
0.01304239 0.00598719 -0.04350399
5.72099742 17.05327538 -7.00700586
-0.00010532 0.00006645 -0.00002159
0.00073939 0.00727050 -0.01634578
7.23795611 5.75474074 -20.88864549
-0.00005867 0.00002522 0.00021103
0.00999778 0.00867023 0.00830835
18.60477949 19.59709605 -5.15166029
-0.00006792 -0.00025084 -0.00009787
0.00877482 0.02285035 0.02746525
1.95221233 14.01160974 -21.22895470
0.00001751 0.00025530 -0.00006645
0.00971856 0.02521553 -0.00190445
10.49736653 -5.29500033 0.43775086
0.00029076 0.00000424 0.00002275
-0.02727288 0.02292867 -0.02817613
-17.93890731 -4.24470122 5.34748678
0.00061350 -0.00042609 0.00002403
-0.00079608 -0.00353133 -0.01322544
-14.29008539 -1.34320934 20.66329599
-0.00003988 -0.00006605 0.00026052
0.00064224 0.00245905 0.00753070
1.59810640 3.75850658 -4.01930540
0.00002758 -0.00007978 -0.00014277
0.00865469 -0.02101350 -0.02372520
21.24541346 -10.61281268 -4.47791656
-0.00008428 0.00006954 -0.00008755
0.02064477 0.01259616 -0.00196481
3.07158012 -10.45710903 7.75100789
0.00002060 -0.00021282 -0.00030054
-0.04050640 -0.00545693 0.02251330
-1.92824086 -1.77723871 -19.69346238
-0.00023118 0.00010800 -0.00031282
0.00697789 -0.01055390 -0.01860841
-0.52531869 3.67992950 -10.49231319
-0.00049880 0.00028647 0.00003981
-0.01150744 -0.01520473 -0.01385096
-4.97119268 14.71103718 14.45583526
0.00012009 0.00017167 -0.00008983
0.00030854 -0.02014703 -0.03496530
-5.34316795 2.76636946 -7.19599433
0.00019979 0.00002172 0.00021277
0.00621016 0.00840335 0.00417881
-9.24773006 0.87124235 -4.02897342
-0.00000173 0.00014895 0.00009760
0.00958795 0.02296983 0.00273192
2.87524374 27.49475911 5.82609610
-0.00003083 0.00002249 0.00006101
-0.00313452 0.00186952 -0.04387449
9.89138432 -10.83895815 -1.49093716
-0.00033443 -0.00005189 0.00015594
-0.04618210 0.00827610 0.00458222
-6.77251955 1.04974424 9.28592715
-0.00005876 0.00012280 0.00005217
0.01303970 0.00000942 -0.00719778
20.21251205 10.79739802 6.90920613
-0.00041019 -0.00008985 -0.00014841
0.03687940 -0.00376392 0.03067539
-3.07073357 1.06638091 -23.89439262
-0.00001779 -0.00019392 -0.00005125
-0.05234395 0.00346370 -0.00751673
-13.59500307 8.74411289 8.70034995
0.00023382 -0.00023434 0.00015007
-0.00384976 0.00172620 -0.01603874
-13.60017376 6.00945799 -3.44521435
-0.00017296 -0.00015031 -0.00028184
-0.00533573 0.01779385 -0.01682544
-2.44924186 -15.44149816 20.53021652
-0.00023797 -0.00006605 0.00001313
0.02486606 -0.00462300 0.00046247
-5.98831324 7.81373779 -7.90722384
0.00013704 0.00037903 0.00016733
0.01953610 0.00757902 -0.02069245
-19.62691817 30.33190580 0.90969756
0.00023927 -0.00018988 -0.00013168
-0.01786540 -0.01864504 0.00396756
9.84964169 3.81370628 7.94962314
-0.00003729 0.00003761 -0.00013640
0.02516087 0.00949047 0.03126787
7.26058064 16.12088231 -11.59298718
0.00012267 0.00023106 0.00009205
-0.02081392 0.02727858 0.00020759
13.59383129 4.89940486 -1.25633972
-0.00037375 -0.00034936 -0.00004266
-0.03192121 0.03118836 -0.01303465
-6.06176892 11.60744845 -1.91152654
0.00009252 0.00044402 0.00036385
-0.00551113 -0.00994724 0.02526452
7.75131425 12.56114906 5.28052231
-0.00024782 -0.00022720 0.00005433
0.03766352 -0.02225166 -0.02705299
21.52870703 -11.91904911 -9.49781643
-0.00062544 0.00019020 0.00028768
-0.04209505 -0.01279099 0.00957279
19.75981396 -5.86962766 -0.95912275
-0.00011822 0.00020601 0.00050050
-0.02410149 -0.00261812 -0.01904871
14.92852082 8.01685214 8.88002877
0.00042980 0.00001052 0.00022971
-0.00581158 0.01465612 -0.01440529
3.84272976 -13.76908898 16.37067091
-0.00003578 -0.00005258 -0.00005043
-0.01414987 -0.00325771 0.01216425
-2.60043714 -2.31468555 -13.61533257
-0.00004213 0.00017124 0.00026360
0.02453516 0.00504964 -0.00035065
15.50405705 -7.39956071 -13.16677481
-0.00001424 -0.00009541 0.00000567
0.01814975 -0.01215192 -0.00172396
9.81401227 -3.77840558 6.63452608
0.00011609 -0.00014369 -0.00026094
-0.04444753 0.01025541 -0.02233479
-19.39805159 1.41726136 24.84011637
0.00006249 0.00011309 -0.00007660
-0.02466159 -0.01584927 0.00848766
24.13999488 -1.10181233 -7.37686315
-0.00032294 0.00030689 0.00019469
0.01303899 -0.02505627 -0.00900588
11.63234155 -10.41040553 -11.35843460
0.00006125 0.00031429 -0.00004708
-0.00225015 0.00393265 0.03721618
-8.91050000 -10.70426481 16.39006815
-0.00011304 0.00015370 -0.00036228
0.01775043 -0.00107984 0.00442965
6.99697158 1.59128911 -27.92432063
0.00042627 0.00001376 -0.00009531
0.00062007 0.00250554 0.01562444
12.62240558 18.60408493 12.83233216
-0.00004159 -0.00030829 -0.00028665
0.02232584 0.00077904 0.00045421
26.02924688 7.55335029 -11.08257490
-0.00004051 -0.00001728 0.00006290
0.00752356 -0.00210037 0.02364193
5.11835074 -29.90862959 -4.88383689
-0.00018961 0.00001490 -0.00003432
-0.00007940 0.00942449 0.00231705
3.99153492 -29.92340082 -2.13509489
-0.00037320 -0.00055504 -0.00038979
-0.00231712 0.00801223 0.01303421
-9.92732397 2.38359122 -8.71445507
0.00044425 0.00067820 0.00044460
-0.04126297 -0.00569025 -0.01567138
-11.80759202 2.55294542 -11.10091728
-0.00005853 -0.00005241 0.00021881
0.00107968 0.00209065 0.00654172
-36.78032156 3.27906068 2.93335479
0.00056522 -0.00042012 0.00069933
0.00594932 -0.03583143 -0.00751132
-37.56577347 0.44420907 3.85925317
-0.00110534 -0.00022139 -0.00002570
-0.01076000 0.00042813 -0.00117795
-8.66610620 -4.07339031 1.38606250
-0.00011233 0.00073657 0.00089484
-0.00592735 0.00192766 0.00382821
-6.36974980 -4.93601627 2.83347462
-0.00029298 -0.00026449 0.00011321
0.00244678 -0.00355523 0.00377962
2.87767237 -0.09163342 7.42126962
0.00011190 0.00012194 0.00022817
0.02130705 -0.00410156 -0.05287252
1.63723426 1.80871474 9.28756014
-0.00021585 0.00018386 -0.00024144
0.00168328 -0.02438920 -0.00235705
-29.86351018 0.07569557 2.76392996
0.00023623 0.00030661 0.00065824
-0.02558377 0.00429567 -0.00271920
-32.84227203 0.96394082 2.76696519
0.00091679 0.00043376 -0.00008817
0.00817864 -0.00565319 0.00241868
15.79136834 11.80612665 -18.44303638
-0.00024667 -0.00108981 -0.00032605
-0.04058418 -0.04632398 -0.00597832
18.40997553 12.40804717 -17.37749399
0.00084266 0.00016218 -0.00048420
-0.02882108 0.01230708 -0.01083603
-2.92999539 6.73516793 6.18249821
0.00023377 -0.00039485 -0.00034667
-0.00108772 -0.00052901 0.00185543
-2.86419075 5.17151058 3.70879445
0.00044217 -0.00016849 0.00019806
-0.01099295 -0.00283415 0.03719298
6.06410968 16.49494486 -8.79834135
0.00097825 -0.00066276 -0.00086487
0.00297915 0.00187642 0.01348611
7.11319635 18.21097492 -6.70348836
-0.00114266 -0.00096985 0.00089368
-0.00333924 -0.00650086 0.00248941
7.74903645 5.21382871 -22.56158442
0.00068433 0.00153069 0.00095046
-0.00754596 -0.00242712 -0.01769830
8.63933073 6.93987230 -20.65285329
0.00008579 0.00003735 -0.00087882
-0.00458184 0.00506806 0.01520900
19.32465122 21.16158234 -4.25341139
0.00030307 0.00085972 -0.00049730
-0.02049918 -0.02389845 -0.00540554
19.41262406 19.69233652 -6.73422826
0.00030043 0.00058844 -0.00001465
0.01287083 -0.00374123 -0.02129620
1.44708421 12.35317609 -20.70080838
-0.00033427 0.00045816 -0.00108650
-0.00574885 -0.00358657 -0.00706467
0.67109914 14.88677325 -22.25305333
0.00058687 0.00009414 -0.00045701
-0.00635358 -0.01666076 0.01574773
10.04266652 -6.99032003 -0.10759769
-0.00084203 -0.00017492 0.00132073
0.00372565 0.00339169 -0.00359065
9.43964404 -4.06029652 -0.70824537
-0.00083446 0.00007788 0.00054633
0.02348610 -0.02448859 0.02947768
-18.21458205 -5.36659981 6.75191806
-0.00014416 -0.00065469 -0.00090249
-0.00258692 -0.00407624 0.00257345
-18.74632686 -5.06974617 3.88720138
-0.00007786 0.00024476 0.00046870
0.00519189 0.00457834 0.01175619
-14.38692880 -0.13072781 19.27859042
-0.00036366 0.00100183 -0.00045682
-0.00151960 -0.00204904 -0.00608697
-14.37457540 -0.30982660 22.19796092
-0.00067972 0.00042528 -0.00045654
0.00056738 -0.00456756 -0.00275459
1.11685511 2.75427758 -2.59514748
-0.00044905 -0.00053369 -0.00021376
-0.00293000 -0.00215679 0.01319494
2.02173030 2.39483515 -5.24559342
-0.00028259 0.00116184 -0.00117648
-0.00736382 0.01965194 0.01150532
21.44920243 -10.55617505 -6.40446436
-0.00107659 0.00030639 0.00032819
0.00577195 0.00562824 0.04362827
22.71427254 -9.95269868 -3.43169907
0.00067947 -0.00005588 0.00033497
-0.02712594 -0.01159546 -0.03961752
4.61563185 -10.41655217 6.94336513
0.00030660 0.00015048 -0.00045332
0.04612922 0.00571552 -0.03133468
3.39279474 -11.71002789 9.04705661
0.00021464 0.00030774 0.00047939
-0.00711938 -0.00079968 0.00651805
-2.08942183 -3.29950205 -20.76124680
0.00019708 -0.00098463 -0.00014556
0.00388113 0.00185155 0.00489394
-3.25650360 -2.00813634 -18.50679711
0.00109311 -0.00030383 0.00026118
-0.00874304 0.00179883 0.01322347
0.78313810 4.88940532 -10.28699026
0.00040610 -0.00069878 -0.00144280
0.00776478 0.01245621 0.01137081
-1.36810663 3.28116284 -8.93079943
0.00135656 -0.00016214 -0.00112595
0.00672836 0.00915083 0.00357392
-3.92719041 15.59975190 15.55319022
-0.00106472 0.00037611 -0.00012873
0.01821629 0.01599948 0.02435782
-6.65980397 15.07635589 14.91363398
0.00008221 0.00038914 -0.00090740
-0.01715340 0.00232185 0.00705766
-6.68608755 2.05813015 -6.17442733
0.00021778 0.00027415 0.00079368
-0.00619328 -0.00593814 0.00972397
-4.85347167 1.46649999 -8.33226363
-0.00031889 0.00071627 -0.00022149
-0.00316401 -0.00825561 -0.01237034
-9.93692449 -0.80023215 -3.82168235
0.00030167 0.00053301 -0.00021801
-0.00481264 0.01101347 0.01185578
-9.66497454 2.27974956 -2.74534236
-0.00021538 -0.00010739 -0.00015486
0.00636606 -0.03206110 -0.02367197
3.30056641 29.00279363 4.80616646
0.00046790 -0.00030624 0.00031516
-0.00399802 -0.01175596 0.01914602
3.15177669 27.62469159 7.56747228
-0.00053376 0.00017976 -0.00116991
0.00854931 0.01850459 0.02628810
8.03350483 -10.96795421 -1.03580779
-0.00027124 -0.00061598 -0.00085562
0.03627554 0.00645919 -0.01684745
10.72923788 -11.25572383 0.10332872
-0.00017742 -0.00085860 -0.00059123
0.00129975 -0.00550559 -0.00124349
-5.50449227 -0.13783994 8.69750757
0.00043498 -0.00068484 -0.00030649
0.01990047 0.00777249 0.00332791
-8.15345264 -0.04607097 9.03031660
-0.00018400 0.00014391 -0.00013355
-0.03266409 -0.00725212 0.00395689
20.37501611 10.91605356 8.79493020
-0.00035823 -0.00048321 0.00067217
-0.01516900 -0.00364225 -0.02153819
22.08944630 10.82578467 6.65381460
0.00134721 -0.00052609 0.00019461
-0.01547534 0.00430027 -0.00786697
-2.87049791 -0.21040930 -22.53358916
-0.00038226 0.00063170 -0.00110697
-0.00731012 0.01676778 -0.00103578
-5.00443097 1.44370411 -24.11812144
0.00051448 0.00037410 0.00026065
0.06017375 -0.01664517 0.00929318
-12.45606301 9.94806831 9.57046033
0.00069673 0.00057985 -0.00007356
-0.00138892 -0.00822995 0.00608063
-13.46799485 9.45199814 6.99431353
-0.00023475 -0.00054713 0.00036230
-0.00924335 -0.00612684 0.01144529
-14.71989748 4.85666708 -4.40017708
-0.00083099 0.00011925 0.00014953
0.01256092 0.00984260 -0.00061232
-13.67473995 7.74415498 -4.19480271
0.00036816 -0.00058099 -0.00079747
-0.00438726 -0.03292768 0.01251316
-4.20598112 -15.67321659 20.38651650
-0.00060991 -0.00055204 0.00035048
-0.02520568 -0.00771874 -0.00162729
-1.70912943 -16.76168176 19.46291048
-0.00060510 -0.00022739 -0.00043796
-0.00642933 0.01149134 0.00599214
-5.36981638 6.13353940 -7.54828739
-0.00052638 0.00054923 0.00011563
-0.01515268 -0.00497971 0.00692877
-7.41939578 8.34197686 -6.92280445
0.00026466 -0.00015686 0.00047493
-0.00365312 -0.00258378 0.00701894
-20.94179371 28.99077237 0.90026866
-0.00004227 -0.00052094 0.00078685
0.01810746 0.02173089 -0.00514139
-18.06836203 29.49384297 0.40136187
0.00043354 0.00039463 -0.00098013
-0.00360883 0.00060487 0.00658524
9.28063364 2.82853299 6.63302414
-0.00014410 0.00029718 0.00059618
-0.01702416 -0.03313900 -0.03886688
9.12367008 5.45355740 7.72106464
0.00069874 -0.00057740 0.00047898
-0.00277177 0.01937287 0.00929278
7.73855247 17.75145792 -12.33248167
-0.00045904 0.00002171 0.00011126
0.00416736 -0.01796401 0.00468475
8.41406916 14.92115929 -12.24413051
-0.00035924 0.00036168 -0.00024338
0.01486704 -0.01292903 -0.00613956
12.03353944 6.00104849 -1.10655756
0.00064294 -0.00002539 -0.00038687
0.03688293 -0.02323594 -0.00550401
13.62019154 3.86994049 0.23542941
0.00008190 -0.00076446 0.00008583
-0.00050343 -0.00880463 0.02080402
-4.47220363 10.70716817 -1.90930357
-0.00028452 -0.00160753 0.00055896
0.00873695 0.00018125 -0.00410350
-7.09533327 10.75757622 -0.59474641
0.00042905 -0.00056463 0.00090628
0.01257932 0.01124478 -0.01639281
7.43745352 14.29585846 4.93934027
-0.00000284 0.00103286 0.00049443
0.00023665 0.01467588 -0.00504699
9.27738518 12.00526228 4.16795851
0.00052186 -0.00033257 0.00039657
-0.03708156 0.01356039 0.02719406
20.26185300 -13.14978721 -8.74574330
-0.00065015 0.00022211 -0.00003730
0.02403150 0.02443398 -0.01553560
23.19263917 -12.51474473 -9.14527449
0.00046426 -0.00059652 -0.00115902
0.00671706 -0.00827529 0.00134382
19.79380385 -4.95367743 -2.58282860
-0.00072715 -0.00004051 -0.00010287
0.00062005 0.00013790 0.00736222
18.18227460 -6.88376880 -1.20225553
-0.00026050 -0.00034690 0.00032806
0.02389009 0.00538910 0.01065368
13.97258038 9.56925747 9.10048030
0.00001540 -0.00048212 0.00086990
-0.00045373 -0.00928641 -0.00674577
15.24388707 7.65068490 10.60457871
0.00061493 -0.00008569 0.00048060
0.01057405 -0.01044568 0.02707549
2.96631353 -14.98576246 17.43665426
0.00050390 0.00081176 -0.00026335
0.00507062 -0.01692878 -0.00943264
3.18525127 -12.32329144 17.28743311
-0.00052782 -0.00035528 0.00012775
0.01047495 0.01532221 -0.00991649
-2.63327846 -3.74510258 -12.50518528
-0.00020236 0.00039616 -0.00027373
-0.00533057 -0.00652678 0.00067926
-0.76900510 -1.82579114 -13.63237413
0.00063985 -0.00056351 -0.00129517
-0.02225396 0.00221238 -0.00029938
15.93439068 -7.45184874 -15.00990346
-0.00072331 0.00023056 -0.00039388
-0.00117587 -0.00886145 0.02180105
16.82971349 -8.33647202 -12.19342733
0.00042566 0.00025768 -0.00018331
-0.01946639 0.01931424 -0.01918047
8.06316127 -3.47824295 5.87298248
0.00029415 0.00091968 -0.00043775
0.03381956 -0.00657640 0.01852916
10.63449284 -4.51224882 5.18574073
0.00128763 -0.00080929 -0.00004469
0.01020163 0.00041406 -0.00265620
-20.95438715 0.47920035 25.27690641
-0.00027091 -0.00132417 0.00019689
0.01524508 0.00308614 -0.01312098
-19.47281676 2.77458963 26.07908508
-0.00079833 -0.00066153 0.00004018
0.00462725 0.00792549 0.00006096
25.22311874 -2.68378429 -7.48143938
-0.00015614 -0.00022750 -0.00084210
-0.01398295 0.02274020 0.00657927
23.52243213 -0.89006297 -9.09754343
0.00021822 0.00015039 -0.00056798
0.00824772 0.00352001 0.00467761
11.94328091 -10.33511640 -9.49209780
0.00043974 -0.00129941 -0.00039995
-0.00068502 -0.00329474 -0.02073168
12.94277070 -9.39984379 -12.11611988
-0.00017684 0.00049898 -0.00042668
0.01026879 0.01740188 -0.00631119
-7.26578501 -10.77140686 17.43213634
-0.00061231 -0.00013439 -0.00024371
-0.03490942 0.00611073 -0.01534144
-10.17745717 -10.39808116 17.67910739
0.00031644 0.00135001 0.00026954
-0.00084356 -0.00298294 -0.00015666
8.13350374 1.39240606 -29.35341373
-0.00037680 -0.00096652 0.00025725
0.01141982 0.00644033 -0.01049436
5.43660172 0.81079136 -28.35456329
-0.00022385 0.00011660 -0.00022843
-0.01317028 -0.00681149 -0.00755046
14.07745711 19.38189300 13.74665880
-0.00049733 -0.00029888 -0.00027650
-0.02144014 -0.01667299 -0.02254997
13.25356040 17.70899169 11.31151807
0.00075703 0.00028595 0.00059501
0.00085397 0.01257616 0.02283966
27.81075292 7.78233814 -11.52390871
0.00063199 0.00026386 0.00006369
0.00094424 -0.00112860 -0.00596654
26.08035030 7.63751654 -9.18909616
0.00042487 0.00011358 -0.00022908
0.00150273 0.00065796 -0.01483283
-7.83825493 4.72510690 6.14908515
0.00011033 0.00002626 0.00011126
-0.00230590 -0.00441939 0.00275660
-10.32266367 9.13217514 3.03663049
0.00027432 -0.00010484 0.00023300
0.00836772 -0.00295238 0.00789330
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.07533160
0.28806497
383.83213600
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0593023256
ExchangeOperator: pair fraction: ispin=0: 0.1475175771
ExchangeOperator: bisection time: 1.422 s
total exchange = -52.3011050265 (a.u.)
total exchange computation time: 2.8695628643 s
-153.8337644109
-931.36173477
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0593023256
ExchangeOperator: pair fraction: ispin=0: 0.1475175771
ExchangeOperator: bisection time: 1.422 s
total exchange = -52.3013982303 (a.u.)
total exchange computation time: 2.8715391159 s
-153.8321304083
Anderson extrapolation: theta=1.3496128744 (1.3496128744)
-931.36194767
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0593023256
ExchangeOperator: pair fraction: ispin=0: 0.1475175771
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.3017471652 (a.u.)
total exchange computation time: 2.8704349995 s
-153.8303435175
Anderson extrapolation: theta=0.0499743926 (0.0499743926)
-931.36207442
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0593023256
ExchangeOperator: pair fraction: ispin=0: 0.1475175771
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3017230274 (a.u.)
total exchange computation time: 2.8713729382 s
-153.8306480962
Anderson extrapolation: theta=1.9099070090 (1.9099070090)
-931.36207901
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0593023256
ExchangeOperator: pair fraction: ispin=0: 0.1475175771
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3016604474 (a.u.)
total exchange computation time: 2.8693630695 s
-153.8313219240
Anderson extrapolation: theta=0.2177545499 (0.2177545499)
-931.36208393
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0593023256
ExchangeOperator: pair fraction: ispin=0: 0.1475175771
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.3016411217 (a.u.)
total exchange computation time: 2.8694250584 s
-153.8314703015
Anderson extrapolation: theta=1.9171637352 (1.9171637352)
-931.36208491
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0593023256
ExchangeOperator: pair fraction: ispin=0: 0.1475175771
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3016146510 (a.u.)
total exchange computation time: 2.8718800545 s
-153.8316264911
Anderson extrapolation: theta=0.2887322670 (0.2887322670)
-931.36208621
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0593023256
ExchangeOperator: pair fraction: ispin=0: 0.1475175771
ExchangeOperator: bisection time: 1.421 s
total exchange = -52.3016177530 (a.u.)
total exchange computation time: 2.8676860332 s
-153.8315517512
Anderson extrapolation: theta=1.3189998769 (1.3189998769)
-931.36208653
65.101452 71.786701 -167.067163
561.462082 1074.509738 -406.628159
626.563534 1146.296439 -573.695321
1426.780891
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0593023256
ExchangeOperator: pair fraction: ispin=0: 0.1475175771
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3016292137 (a.u.)
total exchange computation time: 2.8691198826 s
677.74313300
-1081.61228955
89.90159437
-390.48647253
-174.60642284
77.05454347
551.60419304
0.00000000
-931.36208676
4.55707851 -30.96005220 -3.48649674
-0.00005720 -0.00021827 0.00007887
0.00585218 -0.02305082 -0.01591714
-11.72276768 2.12073392 -9.29910137
0.00027346 0.00009699 0.00017342
0.03691683 0.00583465 0.00916431
-36.20456574 1.39808432 3.13797600
0.00011599 0.00029677 0.00006014
-0.00245346 0.02072731 0.00815928
-7.43384059 -3.47169528 2.63514360
0.00010379 0.00004919 -0.00001172
0.00688221 -0.00291983 -0.00027184
2.25507635 0.05340047 9.03266085
-0.00002230 -0.00022537 0.00018758
-0.02768951 0.02088863 0.05285776
-31.07800874 1.49815307 2.59461964
-0.00023989 0.00018717 -0.00014978
0.02533244 0.00589690 0.00442287
16.84528763 13.15977706 -18.26104872
-0.00014341 0.00004104 -0.00042498
0.06124297 0.03173505 0.02227090
-3.44715080 5.09586263 5.52402178
-0.00004337 -0.00014335 -0.00013647
0.01269718 0.00474252 -0.04300858
5.71942042 17.05430012 -7.00739279
-0.00010666 0.00006801 -0.00003178
-0.00593260 -0.00120510 -0.02327651
7.23711462 5.75515247 -20.88544793
-0.00005357 0.00003052 0.00021637
0.00984843 0.01195513 0.01243309
18.60379449 19.59342163 -5.15302244
-0.00006274 -0.00023810 -0.00008383
0.01138453 0.02669756 0.02716037
1.95251254 14.01553648 -21.22995886
0.00002292 0.00026865 -0.00006743
0.01129647 0.02672308 -0.00187780
10.50162273 -5.29484831 0.43798338
0.00027640 0.00001604 0.00000822
-0.02857918 0.02296255 -0.02830483
-17.92970787 -4.25110622 5.34779625
0.00061330 -0.00042729 0.00001703
0.00000587 -0.00111134 -0.01400453
-14.29068107 -1.34419055 20.66723280
-0.00003973 -0.00006342 0.00026232
-0.00006854 0.00776078 -0.00053615
1.59855343 3.75722888 -4.02153842
0.00003169 -0.00009031 -0.00015413
0.00732703 -0.01996215 -0.02046556
21.24422896 -10.61172103 -4.47923732
-0.00007318 0.00007623 -0.00008716
0.02249117 0.01341516 0.00346657
3.07173292 -10.46032237 7.74658671
0.00000072 -0.00021586 -0.00028917
-0.03681295 -0.00635631 0.02169198
-1.93168170 -1.77565941 -19.69822648
-0.00022675 0.00010176 -0.00032365
0.01027832 -0.01369951 -0.02352062
-0.53284508 3.68416794 -10.49176952
-0.00050325 0.00027929 0.00002927
-0.00577970 -0.01271008 -0.02713400
-4.96939015 14.71353450 14.45435290
0.00011959 0.00016061 -0.00010861
-0.00223923 -0.02285654 -0.03806045
-5.34014711 2.76672763 -7.19278669
0.00020247 0.00002658 0.00021573
0.00421151 0.01052010 0.00732556
-9.24771899 0.87356513 -4.02749886
0.00000370 0.00016138 0.00009859
0.01150163 0.02539179 0.00109611
2.87476925 27.49510366 5.82684200
-0.00003296 0.00002288 0.00003588
-0.00516825 -0.00036773 -0.05385309
9.88618971 -10.83970451 -1.48858036
-0.00035790 -0.00004753 0.00015743
-0.04509668 0.00866181 0.00119779
-6.77335060 1.05158634 9.28668192
-0.00005107 0.00012146 0.00004784
0.01684410 -0.00524137 -0.00963205
20.20650143 10.79603568 6.90709829
-0.00038887 -0.00009182 -0.00013197
0.04604900 -0.00386790 0.03326495
-3.07120234 1.06348551 -23.89519039
-0.00004437 -0.00019061 -0.00005665
-0.05101910 0.00940170 -0.01347424
-13.59151058 8.74060449 8.70253909
0.00023241 -0.00023302 0.00014297
-0.00162354 0.00338494 -0.01155564
-13.60278869 6.00727192 -3.44950683
-0.00017571 -0.00014145 -0.00029034
-0.00536799 0.01667357 -0.01623537
-2.45271543 -15.44250667 20.53041527
-0.00022620 -0.00006883 0.00001304
0.02087368 -0.00621217 -0.00083375
-5.98618226 7.81945252 -7.90479366
0.00014679 0.00038344 0.00015665
0.01836829 0.00954053 -0.02086875
-19.62339800 30.32898566 0.90773763
0.00022981 -0.00019977 -0.00012965
-0.01894679 -0.01978997 0.00393149
9.84917939 3.81430698 7.94769776
-0.00002307 0.00004158 -0.00011896
0.03014515 0.00595652 0.03655508
7.26234040 16.12445347 -11.59160571
0.00011143 0.00024480 0.00009265
-0.02290397 0.02616283 0.00215350
13.58810193 4.89428473 -1.25702985
-0.00038902 -0.00033427 -0.00004896
-0.02748171 0.02750592 -0.01149031
-6.06040237 11.61407036 -1.90597134
0.00009038 0.00043740 0.00037769
-0.00281810 -0.01579204 0.02854255
7.74774223 12.55765523 5.28123295
-0.00022866 -0.00023644 0.00003995
0.03682689 -0.01367464 -0.02888755
21.51916312 -11.91624551 -9.49346431
-0.00064495 0.00018325 0.00029269
-0.03378987 -0.01420472 0.00989443
19.75794772 -5.86654762 -0.95168869
-0.00013112 0.00020461 0.00049001
-0.02607066 -0.00282399 -0.02174612
14.93494545 8.01706643 8.88341890
0.00042705 0.00001765 0.00022314
-0.00491313 0.01309167 -0.01117108
3.84213852 -13.76989025 16.36996134
-0.00004231 -0.00005298 -0.00004499
-0.01125498 0.00171644 0.00900689
-2.60097447 -2.31209742 -13.61137987
-0.00002889 0.00017480 0.00026257
0.02697203 0.00878801 -0.00368027
15.50391346 -7.40103872 -13.16669646
-0.00000502 -0.00010152 0.00000451
0.01769596 -0.01160945 -0.00277722
9.81558215 -3.78052142 6.63052589
0.00009396 -0.00013883 -0.00027314
-0.04160262 0.00866240 -0.02511426
-19.39720930 1.41889664 24.83900005
0.00004846 0.00010340 -0.00007230
-0.02991880 -0.02184346 0.00823906
24.13520101 -1.09730567 -7.37397749
-0.00031609 0.00029341 0.00018885
0.01362994 -0.02733597 -0.01373334
11.63325164 -10.40567605 -11.35899726
0.00006003 0.00031614 -0.00002875
-0.00248226 0.00326559 0.03407006
-8.91212709 -10.70196355 16.38465109
-0.00010471 0.00015327 -0.00035942
0.01463528 -0.00055577 0.00666533
7.00336808 1.59150524 -27.92568998
0.00042468 0.00001453 -0.00008676
-0.00680749 0.00046779 0.01762723
12.62186786 18.59946366 12.82803423
-0.00003078 -0.00030753 -0.00028573
0.01969196 0.00215865 0.00311705
26.02866833 7.55308295 -11.08154020
-0.00003545 -0.00001818 0.00007441
0.01211727 -0.00138491 0.02112480
5.11550417 -29.90811732 -4.88428072
-0.00019086 0.00005186 -0.00002317
-0.00053146 0.00866666 0.00313982
3.98586587 -29.93148094 -2.14054240
-0.00038483 -0.00051784 -0.00033081
-0.00337341 0.01020030 0.01583742
-9.92192464 2.39358987 -8.70826636
0.00027314 0.00065424 0.00037900
-0.04249684 -0.00603676 -0.01644045
-11.80843695 2.55222338 -11.09743475
-0.00005314 -0.00004355 0.00024481
0.00156165 0.00224467 0.00618976
-36.77166093 3.27166088 2.94361453
0.00058709 -0.00056105 0.00066800
0.00475466 -0.03315439 -0.00782415
-37.58268329 0.44090141 3.85883159
-0.00113495 -0.00020926 -0.00003832
-0.00373627 0.00550833 -0.00500009
-8.66797276 -4.06228267 1.39960243
-0.00014214 0.00074096 0.00090380
-0.00866374 0.00021851 0.00055771
-6.37406958 -4.94009258 2.83528858
-0.00028356 -0.00027845 0.00012808
0.00216462 -0.00327879 0.00349750
2.88000380 -0.08993007 7.42307201
0.00019897 0.00010504 0.00001385
0.02131292 -0.00416991 -0.05204042
1.63404804 1.81072523 9.28386638
-0.00020790 0.00007985 -0.00025084
0.00220914 -0.02652213 -0.00224477
-29.86075064 0.08042637 2.77372028
0.00012948 0.00032639 0.00064637
-0.02667493 0.00538544 -0.00309307
-32.82826957 0.97027396 2.76571674
0.00093434 0.00040547 -0.00007683
0.00041158 -0.00819224 0.00313410
15.78642469 11.78836004 -18.44811027
-0.00039792 -0.00126183 -0.00034743
-0.03345561 -0.03788245 -0.00448709
18.42173230 12.41085695 -17.38508900
0.00071916 0.00021404 -0.00053037
-0.03163308 0.01307936 -0.01176546
-2.92652214 6.72922898 6.17735508
0.00022988 -0.00039378 -0.00033700
-0.00081674 0.00105442 0.00287377
-2.85789503 5.16889636 3.71290499
0.00039746 -0.00018065 0.00034698
-0.01089423 -0.00311660 0.03570642
6.07887468 16.48506098 -8.81090121
0.00098852 -0.00065064 -0.00079910
0.00204965 0.00405383 0.01871280
7.09595417 18.19622793 -6.69000691
-0.00114080 -0.00098358 0.00090694
0.00424583 -0.00021709 0.00400115
7.75907015 5.23671464 -22.54786980
0.00065419 0.00151259 0.00086450
-0.00720825 -0.00642951 -0.02438369
8.64047723 6.94058793 -20.66556955
0.00006674 0.00005997 -0.00081239
-0.00474339 0.00600287 0.01731070
19.32856905 21.17374583 -4.26103653
0.00021569 0.00075525 -0.00052045
-0.02227065 -0.02723950 -0.00592663
19.41752486 19.70104851 -6.73510064
0.00035117 0.00057169 -0.00009955
0.01196701 -0.00445807 -0.02025918
1.44189400 12.35993852 -20.71732239
-0.00035880 0.00043761 -0.00111310
-0.00626121 -0.00647178 -0.00595609
0.67970753 14.88767486 -22.25942593
0.00055856 0.00002865 -0.00039473
-0.00750579 -0.01539916 0.01473817
10.03015027 -6.99283983 -0.08789672
-0.00082631 -0.00015985 0.00130603
0.00396645 0.00398108 -0.00360864
9.42784689 -4.05987873 -0.69914720
-0.00073632 -0.00002323 0.00066704
0.02455253 -0.02500520 0.02961371
-18.21682374 -5.37654509 6.73845962
-0.00015509 -0.00067491 -0.00088502
-0.00276284 -0.00582250 0.00597688
-18.74733565 -5.06593452 3.89459209
-0.00005822 0.00026215 0.00051111
0.00442203 0.00393370 0.00900327
-14.39243027 -0.11576311 19.27155166
-0.00036872 0.00098125 -0.00047023
-0.00095904 -0.00802759 -0.00047729
-14.38475382 -0.30358735 22.19102836
-0.00067714 0.00040786 -0.00046339
0.00069494 -0.00396168 -0.00059497
1.11002954 2.74620612 -2.59794959
-0.00045890 -0.00054036 -0.00016595
-0.00188899 -0.00110892 0.01020756
2.01726578 2.41286491 -5.26288809
-0.00031203 0.00123780 -0.00112986
-0.00704468 0.01753166 0.01131656
21.43323044 -10.55140674 -6.39820466
-0.00105029 0.00032948 0.00050030
0.00710053 0.00567646 0.04062177
22.72363331 -9.95389218 -3.42788857
0.00056277 -0.00010524 0.00016821
-0.02999769 -0.01256778 -0.04200945
4.62164442 -10.41411985 6.93560519
0.00048709 0.00017288 -0.00057680
0.04222091 0.00524840 -0.02911105
3.39579624 -11.70543635 9.05444718
0.00018574 0.00030679 0.00050277
-0.00702691 0.00033682 0.00492616
-2.08634672 -3.31421476 -20.76328030
0.00021283 -0.00096887 -0.00012105
0.00383040 0.00586207 0.00710372
-3.24037484 -2.01263860 -18.50247416
0.00105095 -0.00029788 0.00032110
-0.01189312 0.00110920 0.01610496
0.78946755 4.87930526 -10.30828383
0.00043917 -0.00064669 -0.00139510
0.00842290 0.01304536 0.01197815
-1.34755212 3.27901111 -8.94757911
0.00137144 -0.00013081 -0.00108546
0.00055694 0.00618650 0.01624221
-3.94260304 15.60588382 15.55200561
-0.00098310 0.00044744 -0.00002240
0.02173676 0.01891897 0.02769514
-6.65909653 15.08226416 14.90023931
0.00001012 0.00039835 -0.00087907
-0.01813190 0.00218333 0.00680936
-6.68301071 2.06206039 -6.16222418
0.00019522 0.00025029 0.00083037
-0.00484726 -0.00573751 0.00823858
-4.85835191 1.47699108 -8.33596498
-0.00033093 0.00067803 -0.00027555
-0.00273297 -0.01046533 -0.01409432
-9.93254696 -0.79189957 -3.82458918
0.00027873 0.00057022 -0.00016863
-0.00641294 0.00720534 0.01231600
-9.66801012 2.27715627 -2.74839068
-0.00019020 -0.00023602 -0.00024936
0.00595785 -0.03090629 -0.02258662
3.30746244 28.99783978 4.81148057
0.00045222 -0.00035119 0.00039022
-0.00367724 -0.01024809 0.01759678
3.14403226 27.62795502 7.55072921
-0.00049530 0.00025674 -0.00103887
0.01027791 0.01917836 0.03785681
8.03054785 -10.97699591 -1.04915841
-0.00012605 -0.00058950 -0.00092190
0.03479342 0.00649903 -0.01559383
10.72661642 -11.26877152 0.09442223
-0.00017108 -0.00088175 -0.00059166
0.00180420 -0.00582802 0.00103020
-5.49735780 -0.14787430 8.69301217
0.00050599 -0.00064409 -0.00028820
0.01486288 0.01217485 0.00562679
-8.15721356 -0.04413460 9.02843453
-0.00031473 0.00011599 -0.00011705
-0.03133155 -0.00641380 0.00412190
20.36917785 10.90869374 8.80435270
-0.00042026 -0.00049814 0.00057548
-0.01519614 -0.00366274 -0.02579216
22.10918024 10.81802512 6.65649267
0.00126609 -0.00050796 0.00016579
-0.02423416 0.00457597 -0.00624106
-2.87645585 -0.20041996 -22.55022539
-0.00040988 0.00068749 -0.00109844
-0.00621045 0.01054078 0.00520950
-4.99486986 1.44880553 -24.11392687
0.00075539 0.00030659 0.00029747
0.05775492 -0.01639853 0.00872729
-12.44565467 9.95651381 9.56954329
0.00068636 0.00054134 -0.00005200
-0.00368747 -0.01061961 0.00447252
-13.47179936 9.44360351 7.00009879
-0.00027222 -0.00057030 0.00040388
-0.00909654 -0.00521628 0.00890947
-14.73197744 4.85875745 -4.39795296
-0.00077906 0.00015917 0.00014725
0.01286033 0.00969611 -0.00049988
-13.66935194 7.73443114 -4.20638132
0.00035006 -0.00071193 -0.00074738
-0.00447401 -0.03116672 0.01200879
-4.21590222 -15.68173377 20.39172377
-0.00070480 -0.00058233 0.00034495
-0.02124359 -0.00710737 -0.00107980
-1.71840301 -16.76474041 19.45652473
-0.00063134 -0.00017831 -0.00041189
-0.00641492 0.01252893 0.00676863
-5.37817635 6.14162532 -7.54634064
-0.00058473 0.00052299 0.00014436
-0.01341306 -0.00786820 0.00713363
-7.41553788 8.33954480 -6.91546536
0.00024879 -0.00016624 0.00050338
-0.00411586 -0.00200886 0.00690371
-20.94187288 28.98362414 0.91191391
0.00003632 -0.00042934 0.00076481
0.02036003 0.02310777 -0.00564657
-18.06196949 29.49978099 0.38686174
0.00041606 0.00039672 -0.00095222
-0.00494910 0.00041742 0.00707658
9.27795051 2.83197522 6.64077588
-0.00021781 0.00015555 0.00042877
-0.01905736 -0.03618777 -0.04308102
9.13406618 5.44549004 7.72853406
0.00068123 -0.00048498 0.00051463
-0.00579583 0.02586677 0.00815723
7.73179452 17.75123309 -12.33066927
-0.00044044 -0.00004677 0.00012828
0.00493922 -0.01555728 0.00364708
8.40913614 14.92618827 -12.24796928
-0.00029588 0.00030612 -0.00026988
0.01614720 -0.01426872 -0.00683536
12.04431371 5.99995564 -1.11252930
0.00078621 -0.00011652 -0.00040731
0.03324832 -0.02137211 -0.00449951
13.62140459 3.85820377 0.23735433
0.00007837 -0.00079619 0.00016590
-0.00122583 -0.00672548 0.01839068
-4.47620364 10.68306079 -1.90104488
-0.00025649 -0.00159977 0.00054011
0.00497954 0.00361703 -0.00512339
-7.08851200 10.74945129 -0.58165446
0.00048176 -0.00051340 0.00083429
0.01322269 0.01383222 -0.01884796
7.43741818 14.31180100 4.94660202
0.00000218 0.00107421 0.00047696
0.00221827 0.00556710 -0.00350377
9.28407679 12.00068928 4.17474042
0.00036807 -0.00027606 0.00050824
-0.03820001 0.01409963 0.02746874
20.25283712 -13.14570680 -8.74677887
-0.00055256 0.00031969 -0.00009940
0.02374125 0.02333063 -0.01486452
23.19980893 -12.52394615 -9.16261856
0.00047503 -0.00062511 -0.00115613
-0.00144491 -0.00571588 0.00006883
19.78291553 -4.95428085 -2.58414602
-0.00072388 -0.00004149 -0.00006853
0.00098250 -0.00061642 0.00944698
18.17909918 -6.88880711 -1.19700815
-0.00015943 -0.00032287 0.00037292
0.02558607 0.00637138 0.01130594
13.97279744 9.56174117 9.11332208
0.00001223 -0.00051745 0.00084181
-0.00109540 -0.00801167 -0.00700496
15.25343508 7.64907950 10.61261744
0.00065749 -0.00012753 0.00058512
0.01025575 -0.01003871 0.02408420
2.97402741 -14.97410481 17.43241490
0.00051813 0.00073131 -0.00029422
0.00189717 -0.02245233 -0.00567521
3.17765489 -12.32815119 17.28904555
-0.00048448 -0.00029144 0.00008599
0.01074191 0.01593175 -0.01052643
-2.63647722 -3.73936011 -12.50927045
-0.00022374 0.00036308 -0.00026580
-0.00513349 -0.00966788 0.00320489
-0.76008933 -1.83417605 -13.65181090
0.00054330 -0.00055570 -0.00129448
-0.02500665 0.00161291 0.00063913
15.92350496 -7.44866186 -15.01514365
-0.00072731 0.00019363 -0.00030254
-0.00078004 -0.00921689 0.02291067
16.83550191 -8.33201493 -12.19676468
0.00034625 0.00033591 -0.00026211
-0.01940878 0.01897794 -0.01939281
8.06860984 -3.46464934 5.86698396
0.00043384 0.00089095 -0.00036357
0.03456042 -0.00748273 0.01778473
10.65411986 -4.52437550 5.18498897
0.00132213 -0.00080275 -0.00004813
0.00668780 0.00278577 0.00097339
-20.95798365 0.45943237 25.27945772
-0.00019823 -0.00130468 0.00013973
0.02033120 0.00645602 -0.01485805
-19.48464995 2.76490960 26.07968963
-0.00077930 -0.00062414 0.00004421
0.00468947 0.01037632 0.00191091
25.22034812 -2.68649993 -7.49386930
-0.00021542 -0.00013038 -0.00081250
-0.01503607 0.02479837 0.00790871
23.52595819 -0.88769923 -9.10591978
0.00025310 0.00016509 -0.00054205
0.00882727 0.00367726 0.00801251
11.94985606 -10.35470850 -9.49873231
0.00043803 -0.00131092 -0.00048025
-0.00015162 -0.00233778 -0.01857797
12.94043272 -9.39182592 -12.12271348
-0.00013549 0.00056900 -0.00045071
0.00997297 0.01687621 -0.00545142
-7.27603944 -10.77323548 17.42801057
-0.00075021 -0.00010937 -0.00030569
-0.03258944 0.00613909 -0.01499894
-10.17273642 -10.37792238 17.68314569
0.00031515 0.00133657 0.00026443
0.00021124 -0.00359486 -0.00234582
8.12820169 1.37810559 -29.34987661
-0.00032372 -0.00094064 0.00020796
0.01456423 0.00622972 -0.01363012
5.43284043 0.81233156 -28.35822110
-0.00026970 0.00009286 -0.00025602
-0.00927633 -0.00480827 -0.00595403
14.06934013 19.37689889 13.74182033
-0.00058138 -0.00036405 -0.00036503
-0.01970292 -0.01522932 -0.02078794
13.26494199 17.71366628 11.32114317
0.00076231 0.00033174 0.00067918
0.00173342 0.00983734 0.01835840
27.82026173 7.78626140 -11.52313622
0.00062716 0.00025811 0.00004028
-0.00331128 -0.00168183 -0.00548946
26.08676939 7.63924045 -9.19298691
0.00043010 0.00011601 -0.00028570
0.00105876 0.00052939 -0.01288009
-7.83660616 4.72548893 6.15076147
0.00010950 0.00002470 0.00011226
-0.00232876 -0.00429784 0.00281111
-10.31853430 9.13059734 3.04013924
0.00027627 -0.00010552 0.00023481
0.00839367 -0.00287838 0.00772242
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.07534733
0.28673943
382.06591693
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0593750000
ExchangeOperator: pair fraction: ispin=0: 0.1476906436
ExchangeOperator: bisection time: 1.422 s
total exchange = -52.3031993989 (a.u.)
total exchange computation time: 2.8683259487 s
-153.8415910245
-931.36057793
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0593750000
ExchangeOperator: pair fraction: ispin=0: 0.1476906436
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.3034689455 (a.u.)
total exchange computation time: 2.8672320843 s
-153.8402106310
Anderson extrapolation: theta=1.3496771970 (1.3496771970)
-931.36079378
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0593750000
ExchangeOperator: pair fraction: ispin=0: 0.1476906436
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3037808252 (a.u.)
total exchange computation time: 2.8683280945 s
-153.8387819900
Anderson extrapolation: theta=0.0504990479 (0.0504990479)
-931.36092269
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0593750000
ExchangeOperator: pair fraction: ispin=0: 0.1476906436
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.3037505831 (a.u.)
total exchange computation time: 2.8659961224 s
-153.8391200674
Anderson extrapolation: theta=1.9278744772 (1.9278744772)
-931.36092750
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0593750000
ExchangeOperator: pair fraction: ispin=0: 0.1476906436
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3036733249 (a.u.)
total exchange computation time: 2.8656909466 s
-153.8398753723
Anderson extrapolation: theta=0.2224653352 (0.2224653352)
-931.36093276
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0593750000
ExchangeOperator: pair fraction: ispin=0: 0.1476906436
ExchangeOperator: bisection time: 1.422 s
total exchange = -52.3036487610 (a.u.)
total exchange computation time: 2.8687188625 s
-153.8400531126
Anderson extrapolation: theta=1.9205825310 (1.9205825310)
-931.36093383
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0593750000
ExchangeOperator: pair fraction: ispin=0: 0.1476906436
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.3036119342 (a.u.)
total exchange computation time: 2.8658349514 s
-153.8402677052
Anderson extrapolation: theta=0.2902199340 (0.2902199340)
-931.36093525
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0593750000
ExchangeOperator: pair fraction: ispin=0: 0.1476906436
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3036120709 (a.u.)
total exchange computation time: 2.8680090904 s
-153.8402102328
Anderson extrapolation: theta=1.3162530995 (1.3162530995)
-931.36093559
65.192474 71.742836 -167.075659
561.433829 1074.501342 -406.691782
626.626303 1146.244178 -573.767441
1426.795471
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0593750000
ExchangeOperator: pair fraction: ispin=0: 0.1476906436
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.3036199391 (a.u.)
total exchange computation time: 2.8664150238 s
677.77208645
-1081.68455495
89.90334934
-390.43636252
-174.61183422
77.09602245
551.60419304
0.00000000
-931.36093584
4.55624301 -30.96341524 -3.48537504
-0.00005383 -0.00023033 0.00006988
0.00727941 -0.02382149 -0.01907017
-11.71852335 2.12221123 -9.29646466
0.00029243 0.00009997 0.00017830
0.03685774 0.00577904 0.00979709
-36.20283529 1.40261581 3.13890952
0.00011333 0.00030520 0.00006542
-0.00792008 0.01206230 0.01239966
-7.43225720 -3.47096873 2.63496668
0.00010814 0.00004804 -0.00001097
0.01003384 -0.00153458 0.00319480
2.25463501 0.05010057 9.03567846
-0.00003633 -0.00021431 0.00021380
-0.02685287 0.02211057 0.04910658
-31.08150931 1.50098338 2.59239006
-0.00022450 0.00019060 -0.00014763
0.03449907 0.00742685 0.00392098
16.84337277 13.16051502 -18.26733746
-0.00011348 0.00005474 -0.00041370
0.05512641 0.02154161 0.02157501
-3.44775231 5.09373066 5.52180888
-0.00003701 -0.00014122 -0.00015820
0.01203086 0.00354894 -0.04150182
5.71779765 17.05531556 -7.00795929
-0.00011152 0.00006519 -0.00004540
-0.01296308 -0.00972968 -0.02969657
7.23634910 5.75565644 -20.88215445
-0.00004854 0.00003744 0.00022370
0.00969809 0.01493302 0.01609701
18.60289732 19.58995317 -5.15417505
-0.00005621 -0.00022353 -0.00007023
0.01402180 0.02995933 0.02570835
1.95289990 14.01966937 -21.23097751
0.00002914 0.00028265 -0.00006831
0.01289261 0.02771925 -0.00154146
10.50565846 -5.29451915 0.43799753
0.00026146 0.00002772 -0.00000626
-0.02952079 0.02244718 -0.02802106
-17.92050839 -4.25751979 5.34799768
0.00061356 -0.00042726 0.00000977
0.00103302 0.00120657 -0.01420798
-14.29127728 -1.34511189 20.67116548
-0.00003994 -0.00005819 0.00026011
-0.00073201 0.01255116 -0.00806184
1.59905699 3.75579719 -4.02392933
0.00003506 -0.00010025 -0.00016365
0.00579393 -0.01867324 -0.01655300
21.24321796 -10.61052589 -4.48053134
-0.00006136 0.00008323 -0.00008394
0.02347966 0.01382162 0.00905886
3.07160171 -10.46358474 7.74233287
-0.00001679 -0.00021932 -0.00027847
-0.03128445 -0.00711033 0.01989306
-1.93504325 -1.77418580 -19.70317203
-0.00022077 0.00009398 -0.00033681
0.01298074 -0.01655280 -0.02762952
-0.54041607 3.68830832 -10.49143518
-0.00050457 0.00027366 0.00001176
0.00063532 -0.00918575 -0.04093055
-4.96760490 14.71585548 14.45257691
0.00011789 0.00014843 -0.00012865
-0.00436795 -0.02449225 -0.03986544
-5.33709379 2.76716697 -7.18952254
0.00020412 0.00003239 0.00022026
0.00220320 0.01205507 0.01030572
-9.24761918 0.87608381 -4.02601585
0.00001014 0.00017493 0.00009861
0.01356943 0.02728923 -0.00101943
2.87425488 27.49544538 5.82717245
-0.00003611 0.00002200 0.00000604
-0.00708166 -0.00302302 -0.06216857
9.88064720 -10.84038405 -1.48621432
-0.00038055 -0.00004294 0.00015717
-0.04294998 0.00917916 -0.00221311
-6.77405170 1.05338801 9.28736237
-0.00004172 0.00011735 0.00004227
0.01953946 -0.01073382 -0.01202467
20.20084607 10.79464351 6.90524707
-0.00036320 -0.00009386 -0.00011435
0.05376365 -0.00409208 0.03526532
-3.07206470 1.06066263 -23.89609210
-0.00006997 -0.00018420 -0.00006519
-0.04854160 0.01552698 -0.01973131
-13.58803062 8.73712219 8.70463909
0.00023209 -0.00023095 0.00013824
0.00037458 0.00468950 -0.00685254
-13.60544504 6.00521447 -3.45392457
-0.00017844 -0.00013333 -0.00029841
-0.00523721 0.01490465 -0.01515044
-2.45602797 -15.44356311 20.53060758
-0.00021675 -0.00007238 0.00001233
0.01589850 -0.00759039 -0.00189521
-5.98390958 7.82524085 -7.90252446
0.00015587 0.00038883 0.00014593
0.01692884 0.01144104 -0.02080328
-19.62002399 30.32591284 0.90580802
0.00021992 -0.00021007 -0.00012763
-0.01950549 -0.02028697 0.00390915
9.84894964 3.81495363 7.94605440
-0.00000655 0.00004346 -0.00009933
0.03408159 0.00135201 0.03976322
7.26392346 16.12822646 -11.59020761
0.00009926 0.00025768 0.00009421
-0.02440786 0.02391177 0.00392242
13.58216055 4.88937679 -1.25780864
-0.00040175 -0.00032135 -0.00005435
-0.02198852 0.02274158 -0.00946530
-6.05905756 11.62057044 -1.90019594
0.00008973 0.00042783 0.00039306
0.00030299 -0.02143939 0.03122761
7.74445432 12.55405589 5.28172073
-0.00021009 -0.00024126 0.00002479
0.03540389 -0.00505365 -0.03004185
21.50935853 -11.91355150 -9.48903586
-0.00066005 0.00017572 0.00029770
-0.02492013 -0.01507840 0.00961820
19.75588035 -5.86348937 -0.94442240
-0.00014487 0.00020316 0.00047823
-0.02741737 -0.00282588 -0.02408512
14.94133218 8.01738173 8.88672285
0.00042482 0.00002388 0.00021842
-0.00372684 0.01112793 -0.00717094
3.84146044 -13.77067828 16.36932125
-0.00004734 -0.00005080 -0.00004120
-0.00831397 0.00676401 0.00571364
-2.60130372 -2.30944149 -13.60745557
-0.00001453 0.00018019 0.00025986
0.02884870 0.01217083 -0.00685926
15.50390639 -7.40260629 -13.16663953
0.00000379 -0.00010725 0.00000282
0.01655888 -0.01068072 -0.00378682
9.81683108 -3.78257043 6.62633195
0.00007352 -0.00013484 -0.00028666
-0.03787222 0.00686534 -0.02745366
-19.39659783 1.42036341 24.83794729
0.00003197 0.00009079 -0.00006815
-0.03421675 -0.02721347 0.00790342
24.13051230 -1.09300990 -7.37119777
-0.00030900 0.00027891 0.00018067
0.01392089 -0.02906732 -0.01806916
11.63414259 -10.40092138 -11.35929707
0.00005878 0.00031775 -0.00001223
-0.00241078 0.00299968 0.03016284
-8.91364128 -10.69966658 16.37928546
-0.00009815 0.00015315 -0.00035551
0.01088902 0.00008142 0.00856004
7.00971205 1.59172498 -27.92692334
0.00041932 0.00001423 -0.00007729
-0.01406273 -0.00162183 0.01917890
12.62148206 18.59485903 12.82376035
-0.00002157 -0.00030609 -0.00028343
0.01612461 0.00343442 0.00581208
26.02818325 7.55280493 -11.08034253
-0.00002811 -0.00001872 0.00008454
0.01644806 -0.00072172 0.01824746
5.11262503 -29.90707390 -4.88453213
-0.00019396 0.00008563 -0.00000863
-0.00098621 0.00786403 0.00397900
3.97999007 -29.93893593 -2.14501930
-0.00040038 -0.00047264 -0.00026150
-0.00423909 0.01192596 0.01809290
-9.91912977 2.40321856 -8.70308521
0.00009923 0.00062917 0.00031107
-0.04263465 -0.00623547 -0.01680776
-11.80918618 2.55163892 -11.09357287
-0.00004591 -0.00003401 0.00026909
0.00197879 0.00242711 0.00569389
-36.76270891 3.26222916 2.95339475
0.00060361 -0.00068924 0.00063533
0.00333509 -0.02959585 -0.00816715
-37.59982209 0.43793132 3.85810358
-0.00113667 -0.00017707 -0.00006595
0.00289628 0.01024875 -0.00852643
-8.67037030 -4.05116163 1.41317654
-0.00018310 0.00073840 0.00089955
-0.01138629 -0.00147209 -0.00264093
-6.37825671 -4.94436984 2.83731688
-0.00027548 -0.00029109 0.00014171
0.00179115 -0.00290919 0.00317697
2.88364141 -0.08848229 7.42168505
0.00028394 0.00008832 -0.00019176
0.02028155 -0.00401186 -0.04860735
1.63099722 1.81111028 9.28003504
-0.00019827 -0.00003127 -0.00025962
0.00250309 -0.02787107 -0.00205628
-29.85962590 0.08548722 2.78332103
0.00001922 0.00034984 0.00063304
-0.02729565 0.00609320 -0.00343334
-32.81424189 0.97610503 2.76466037
0.00091935 0.00036675 -0.00006248
-0.00774855 -0.01076362 0.00388657
15.77943067 11.76827176 -18.45345915
-0.00051809 -0.00139637 -0.00036242
-0.02536761 -0.02797553 -0.00285506
18.43155040 12.41446831 -17.39340507
0.00058554 0.00026839 -0.00057966
-0.03377756 0.01352485 -0.01236287
-2.92309894 6.72335465 6.17238807
0.00022705 -0.00038639 -0.00032322
-0.00056736 0.00256177 0.00387532
-2.85226698 5.16609114 3.71920383
0.00035385 -0.00019391 0.00048780
-0.01045460 -0.00337372 0.03322803
6.09376531 16.47542554 -8.82231424
0.00099508 -0.00063000 -0.00071349
0.00116151 0.00604907 0.02319215
7.07897221 18.18146763 -6.67628023
-0.00110731 -0.00097115 0.00092691
0.01215029 0.00630100 0.00577365
7.76866209 5.25920653 -22.53564957
0.00062544 0.00147891 0.00075227
-0.00686323 -0.01005736 -0.03055277
8.64133304 6.94167145 -20.67722491
0.00004706 0.00008627 -0.00073753
-0.00489291 0.00686977 0.01933181
19.33112200 21.18423991 -4.26902490
0.00012186 0.00063841 -0.00054516
-0.02366356 -0.02995334 -0.00616665
19.42315906 19.70948728 -6.73721462
0.00039743 0.00055196 -0.00017848
0.01067787 -0.00520086 -0.01838207
1.43632007 12.36630432 -20.73420142
-0.00038513 0.00040584 -0.00113536
-0.00662743 -0.00907639 -0.00493950
0.68785591 14.88763272 -22.26489528
0.00052524 -0.00003121 -0.00033703
-0.00880328 -0.01390221 0.01350857
10.01787711 -6.99511565 -0.06841691
-0.00080954 -0.00014228 0.00129130
0.00424432 0.00462240 -0.00360079
9.41755448 -4.06099342 -0.68823412
-0.00063464 -0.00012557 0.00078741
0.02522178 -0.02508855 0.02930628
-18.21923476 -5.38684721 6.72536748
-0.00016669 -0.00070191 -0.00085416
-0.00291655 -0.00739065 0.00912699
-18.74807343 -5.06188179 3.90253458
-0.00004212 0.00027667 0.00054167
0.00346050 0.00317762 0.00595813
-14.39799051 -0.10129040 19.26448366
-0.00037155 0.00093725 -0.00046182
-0.00042345 -0.01350878 0.00458935
-14.39488964 -0.29759088 22.18405934
-0.00067412 0.00039306 -0.00046146
0.00078443 -0.00328337 0.00153926
1.10308821 2.73806670 -2.60012612
-0.00046430 -0.00054238 -0.00013084
-0.00075689 0.00011940 0.00698083
2.01236951 2.43196913 -5.27948922
-0.00033991 0.00130429 -0.00108485
-0.00660308 0.01501817 0.01071773
21.41769363 -10.54629054 -6.38945541
-0.00101865 0.00035282 0.00065835
0.00838764 0.00574460 0.03674675
22.73115563 -9.95585592 -3.42665267
0.00043614 -0.00015773 -0.00000679
-0.03199064 -0.01312348 -0.04365799
4.63024455 -10.41136588 6.92606115
0.00064780 0.00019306 -0.00068904
0.03644527 0.00462941 -0.02583008
3.39836709 -11.70082416 9.06213966
0.00015732 0.00031054 0.00051946
-0.00688960 0.00149753 0.00324266
-2.08303686 -3.32856822 -20.76487844
0.00022821 -0.00093743 -0.00008810
0.00369528 0.00952699 0.00902636
-3.22497497 -2.01707289 -18.49716419
0.00099732 -0.00029462 0.00039172
-0.01436102 0.00048773 0.01846765
0.79631320 4.87000470 -10.32884331
0.00047364 -0.00059347 -0.00134529
0.00844987 0.01300550 0.01240488
-1.32696348 3.27723853 -8.96336338
0.00136092 -0.00011243 -0.00099179
-0.00570611 0.00281281 0.02961400
-3.95668352 15.61317521 15.55251834
-0.00088943 0.00052898 0.00009541
0.02411881 0.02099437 0.02997318
-6.65950031 15.08830624 14.88726197
-0.00006444 0.00040668 -0.00085210
-0.01836663 0.00189505 0.00639281
-6.68023093 2.06563900 -6.14951613
0.00017859 0.00022748 0.00086059
-0.00329177 -0.00542874 0.00655037
-4.86339964 1.48684080 -8.34053012
-0.00034161 0.00063173 -0.00033590
-0.00249591 -0.01219874 -0.01544638
-9.92856246 -0.78312540 -3.82674121
0.00024925 0.00059172 -0.00011746
-0.00801911 0.00331719 0.01273211
-9.67068058 2.27266885 -2.75282325
-0.00016709 -0.00035880 -0.00033838
0.00535749 -0.02919533 -0.02098711
3.31413310 28.99225786 4.81787312
0.00043819 -0.00038894 0.00045813
-0.00319068 -0.00823003 0.01564490
3.13691772 27.63239381 7.53630623
-0.00045037 0.00033626 -0.00086310
0.01171332 0.01974599 0.04818233
8.02972323 -10.98563931 -1.06346470
0.00001105 -0.00056311 -0.00098264
0.03232097 0.00642255 -0.01414178
10.72410552 -11.28217638 0.08557888
-0.00016279 -0.00090625 -0.00058312
0.00225140 -0.00616559 0.00315238
-5.48931244 -0.15716250 8.68886162
0.00055675 -0.00058602 -0.00026082
0.00998320 0.01624782 0.00777660
-8.16289467 -0.04259132 9.02680508
-0.00043808 0.00009264 -0.00009966
-0.02904863 -0.00501615 0.00439210
20.36240827 10.90110944 8.81219449
-0.00048217 -0.00051302 0.00046310
-0.01510616 -0.00362356 -0.02921579
22.12742895 10.81054602 6.65878826
0.00115191 -0.00048859 0.00014318
-0.03165521 0.00490321 -0.00482823
-2.88279441 -0.18978462 -22.56654234
-0.00043274 0.00071676 -0.00106332
-0.00497628 0.00378718 0.01198311
-4.98176918 1.45290194 -24.10919743
0.00098381 0.00024084 0.00033163
0.05405659 -0.01578619 0.00799687
-12.43547232 9.96430848 9.56890035
0.00066701 0.00049348 -0.00003673
-0.00578256 -0.01280998 0.00300383
-13.47616136 9.43488920 7.00643008
-0.00030901 -0.00058942 0.00043438
-0.00891514 -0.00414232 0.00601973
-14.74326924 4.86144205 -4.39575948
-0.00072631 0.00019805 0.00014516
0.01295852 0.00933789 -0.00052488
-13.66423813 7.72279721 -4.21722397
0.00033161 -0.00083391 -0.00070010
-0.00455759 -0.02854552 0.01113504
-4.22712526 -15.69068654 20.39686487
-0.00078192 -0.00060984 0.00034173
-0.01650387 -0.00635685 -0.00049586
-1.72806972 -16.76703121 19.45055379
-0.00065713 -0.00012570 -0.00038321
-0.00620974 0.01322639 0.00727188
-5.38735835 6.14922902 -7.54395669
-0.00063596 0.00048511 0.00017379
-0.01166536 -0.01067100 0.00727177
-7.41193223 8.33698963 -6.90770316
0.00023153 -0.00017336 0.00053094
-0.00433097 -0.00147710 0.00658794
-20.94070426 28.97789210 0.92321310
0.00012280 -0.00033336 0.00074069
0.02197414 0.02387592 -0.00616267
-18.05588026 29.50574459 0.37279531
0.00039333 0.00039798 -0.00092232
-0.00617710 0.00019734 0.00755908
9.27409942 2.83319963 6.64588734
-0.00029814 0.00000481 0.00024830
-0.02026453 -0.03760143 -0.04526002
9.14410708 5.43900796 7.73650341
0.00065188 -0.00036717 0.00054576
-0.00857122 0.03180463 0.00708263
7.72533927 17.75005481 -12.32863335
-0.00041852 -0.00010441 0.00014067
0.00578838 -0.01265820 0.00242080
8.40519271 14.93034278 -12.25222696
-0.00022862 0.00024638 -0.00029847
0.01677596 -0.01497196 -0.00715790
12.05712564 5.99755297 -1.11877680
0.00091260 -0.00019842 -0.00042347
0.02862284 -0.01872123 -0.00341140
13.62254251 3.84605487 0.24040636
0.00007183 -0.00081871 0.00023498
-0.00197446 -0.00430024 0.01542547
-4.47989847 10.65917508 -1.89310019
-0.00024380 -0.00157771 0.00051713
0.00123243 0.00718281 -0.00612572
-7.08088036 10.74217409 -0.56971763
0.00053622 -0.00045232 0.00075349
0.01343637 0.01607037 -0.02070307
7.43751880 14.32808473 4.95364904
0.00001498 0.00107885 0.00046556
0.00404950 -0.00329636 -0.00207493
9.28842726 11.99698040 4.18320579
0.00021118 -0.00021793 0.00061995
-0.03859664 0.01435519 0.02721032
20.24527625 -13.14019654 -8.74872544
-0.00045746 0.00041153 -0.00015805
0.02281200 0.02162445 -0.01384371
23.20689014 -12.53349788 -9.17995840
0.00045271 -0.00064312 -0.00115800
-0.00947975 -0.00310483 -0.00098381
19.77208744 -4.95492206 -2.58488448
-0.00071910 -0.00004528 -0.00002614
0.00135565 -0.00123823 0.01130210
18.17749183 -6.89345494 -1.19106786
-0.00005270 -0.00029556 0.00042021
0.02665638 0.00699734 0.01184196
13.97294736 9.55373387 9.12573456
0.00000624 -0.00054726 0.00081284
-0.00183682 -0.00658070 -0.00717420
15.26361163 7.64685886 10.62213220
0.00069834 -0.00016718 0.00067567
0.00974147 -0.00936998 0.02024193
2.98185757 -14.96382317 17.42782772
0.00051933 0.00062854 -0.00030950
-0.00131274 -0.02785452 -0.00180328
3.17071684 -12.33203455 17.29001287
-0.00044004 -0.00022553 0.00004181
0.01101109 0.01633052 -0.01110192
-2.63999059 -3.73421014 -12.51315920
-0.00024426 0.00031761 -0.00024794
-0.00491311 -0.01258933 0.00553417
-0.75270613 -1.84246210 -13.67120849
0.00043661 -0.00055006 -0.00128985
-0.02721969 0.00114485 0.00162571
15.91257144 -7.44603985 -15.01897973
-0.00072952 0.00015533 -0.00020774
-0.00030137 -0.00953224 0.02349792
16.84010085 -8.32639475 -12.20129054
0.00026828 0.00041188 -0.00034079
-0.01875362 0.01821250 -0.01912118
8.07617649 -3.45151432 5.86207541
0.00057485 0.00085890 -0.00029314
0.03446461 -0.00820871 0.01668865
10.67415675 -4.53633145 5.18429687
0.00134222 -0.00078645 -0.00003691
0.00314817 0.00519321 0.00451637
-20.96033412 0.44006006 25.28109843
-0.00010658 -0.00127221 0.00007601
0.02453499 0.00943699 -0.01633435
-19.49619573 2.75586550 26.08041128
-0.00076015 -0.00057721 0.00005549
0.00468196 0.01259549 0.00361004
25.21665600 -2.68769577 -7.50581452
-0.00027825 -0.00002610 -0.00077757
-0.01571950 0.02624920 0.00919373
23.53002524 -0.88511014 -9.11380506
0.00029004 0.00018053 -0.00050322
0.00925146 0.00387642 0.01099628
11.95642191 -10.37444387 -9.50650539
0.00043868 -0.00131859 -0.00055080
0.00046927 -0.00141723 -0.01595708
12.93870595 -9.38277377 -12.12964118
-0.00009619 0.00063609 -0.00047067
0.00926345 0.01596516 -0.00431977
-7.28829116 -10.77468786 17.42296557
-0.00087718 -0.00008437 -0.00036553
-0.02956511 0.00609485 -0.01429151
-10.16800272 -10.35798391 17.68704022
0.00031804 0.00132055 0.00025032
0.00120531 -0.00424868 -0.00455837
8.12379223 1.36418691 -29.34717483
-0.00025856 -0.00091566 0.00014670
0.01733179 0.00599668 -0.01635907
5.42851063 0.81357708 -28.36224380
-0.00029921 0.00007745 -0.00027700
-0.00516761 -0.00273257 -0.00431640
14.06001564 19.37097143 13.73570785
-0.00065693 -0.00042241 -0.00044525
-0.01727822 -0.01333902 -0.01847889
13.27642981 17.71894377 11.33189338
0.00077169 0.00036564 0.00074385
0.00285691 0.00675686 0.01329796
27.82956760 7.79008159 -11.52270016
0.00060543 0.00025017 0.00001873
-0.00732165 -0.00220557 -0.00505972
26.09325336 7.64099680 -9.19766703
0.00043360 0.00011794 -0.00033351
0.00065221 0.00041599 -0.01052409
-7.83496989 4.72584789 6.15245289
0.00010866 0.00002318 0.00011328
-0.00235321 -0.00416899 0.00287216
-10.31437571 9.12900952 3.04367487
0.00027822 -0.00010618 0.00023659
0.00843579 -0.00279792 0.00756644
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.07544610
0.28548974
380.40076220
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0593750000
ExchangeOperator: pair fraction: ispin=0: 0.1476906436
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3067582079 (a.u.)
total exchange computation time: 2.8668880463 s
-153.8560956251
-931.35957450
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0593750000
ExchangeOperator: pair fraction: ispin=0: 0.1476906436
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.3070006219 (a.u.)
total exchange computation time: 2.8686139584 s
-153.8550599256
Anderson extrapolation: theta=1.3483529491 (1.3483529491)
-931.35979470
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0593750000
ExchangeOperator: pair fraction: ispin=0: 0.1476906436
ExchangeOperator: bisection time: 1.422 s
total exchange = -52.3072826578 (a.u.)
total exchange computation time: 2.8660008907 s
-153.8540548384
Anderson extrapolation: theta=0.0501359413 (0.0501359413)
-931.35992615
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0593750000
ExchangeOperator: pair fraction: ispin=0: 0.1476906436
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3072572629 (a.u.)
total exchange computation time: 2.8682248592 s
-153.8543778086
Anderson extrapolation: theta=1.8979691216 (1.8979691216)
-931.35993097
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0593750000
ExchangeOperator: pair fraction: ispin=0: 0.1476906436
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.3071946898 (a.u.)
total exchange computation time: 2.8690080643 s
-153.8550714318
Anderson extrapolation: theta=0.2171060863 (0.2171060863)
-931.35993613
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0593750000
ExchangeOperator: pair fraction: ispin=0: 0.1476906436
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.3071774212 (a.u.)
total exchange computation time: 2.8658289909 s
-153.8552140425
Anderson extrapolation: theta=1.9100569485 (1.9100569485)
-931.35993714
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0593750000
ExchangeOperator: pair fraction: ispin=0: 0.1476906436
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3071566304 (a.u.)
total exchange computation time: 2.8663811684 s
-153.8553515965
Anderson extrapolation: theta=0.2882064988 (0.2882064988)
-931.35993849
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0593750000
ExchangeOperator: pair fraction: ispin=0: 0.1476906436
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.3071627052 (a.u.)
total exchange computation time: 2.8652040958 s
-153.8552657640
Anderson extrapolation: theta=1.3218630799 (1.3218630799)
-931.35993881
65.279719 71.696676 -167.083567
561.403837 1074.491512 -406.754019
626.683556 1146.188188 -573.837585
1426.803846
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0593750000
ExchangeOperator: pair fraction: ispin=0: 0.1476906436
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3071788851 (a.u.)
total exchange computation time: 2.8670301437 s
677.82583744
-1081.80958520
89.90309811
-390.35060630
-174.62150421
77.16643732
551.60419304
0.00000000
-931.35993906
4.55546368 -30.96696205 -3.48440046
-0.00004979 -0.00024263 0.00005943
0.00842991 -0.02401578 -0.02156106
-11.71399468 2.12373312 -9.29375236
0.00031111 0.00010288 0.00018343
0.03575728 0.00553386 0.01015702
-36.20116595 1.40724036 3.13993870
0.00010806 0.00030906 0.00007281
-0.01257257 0.00294459 0.01632223
-7.43059640 -3.47025402 2.63481442
0.00011409 0.00004757 -0.00000848
0.01311348 -0.00031546 0.00650032
2.25398650 0.04697125 9.03907492
-0.00004962 -0.00020287 0.00023748
-0.02482590 0.02237390 0.04297365
-31.08474373 1.50387099 2.59019073
-0.00020451 0.00019490 -0.00014576
0.04324700 0.00931067 0.00335944
16.84188319 13.16141917 -18.27345975
-0.00008697 0.00006308 -0.00040288
0.04796033 0.01091603 0.02051736
-3.44826101 5.09162608 5.51927581
-0.00003107 -0.00013967 -0.00017889
0.01104331 0.00245748 -0.03895176
5.71607487 17.05625594 -7.00875489
-0.00012000 0.00005807 -0.00006218
-0.02001414 -0.01798121 -0.03552935
7.23565840 5.75627561 -20.87873679
-0.00004357 0.00004578 0.00023273
0.00964549 0.01749598 0.01901183
18.60210833 19.58671585 -5.15512934
-0.00004830 -0.00020743 -0.00005768
0.01672931 0.03261451 0.02311095
1.95338672 14.02401611 -21.23200804
0.00003617 0.00029701 -0.00006893
0.01444118 0.02810523 -0.00089057
10.50946644 -5.29401681 0.43779551
0.00024613 0.00003900 -0.00002049
-0.03007316 0.02141164 -0.02732125
-17.91130094 -4.26392406 5.34808950
0.00061439 -0.00042610 0.00000257
0.00218327 0.00332756 -0.01380056
-14.29187913 -1.34593640 20.67503596
-0.00004047 -0.00005066 0.00025420
-0.00133802 0.01675456 -0.01490376
1.59960524 3.75422144 -4.02644794
0.00003761 -0.00010945 -0.00017102
0.00411019 -0.01711254 -0.01211364
21.24238811 -10.60922412 -4.48175547
-0.00004924 0.00009034 -0.00007779
0.02364182 0.01382812 0.01483268
3.07122916 -10.46690197 7.73823250
-0.00003110 -0.00022312 -0.00026891
-0.02436448 -0.00768527 0.01730950
-1.93830465 -1.77283989 -19.70833073
-0.00021358 0.00008482 -0.00035182
0.01494301 -0.01909712 -0.03074147
-0.54798214 3.69237783 -10.49141661
-0.00050252 0.00027005 -0.00001280
0.00732101 -0.00487317 -0.05459185
-4.96585334 14.71798751 14.45049337
0.00011524 0.00013572 -0.00014925
-0.00596033 -0.02492959 -0.04025269
-5.33402346 2.76769930 -7.18617888
0.00020476 0.00003882 0.00022625
0.00028036 0.01295470 0.01297127
-9.24741469 0.87881301 -4.02454070
0.00001768 0.00018927 0.00009741
0.01573718 0.02848176 -0.00362177
2.87368588 27.49576377 5.82702328
-0.00004019 0.00001968 -0.00002744
-0.00877131 -0.00601695 -0.06802282
9.87477334 -10.84099277 -1.48386536
-0.00040180 -0.00003806 0.00015517
-0.03968360 0.00981392 -0.00555534
-6.77460206 1.05510687 9.28795006
-0.00003126 0.00011041 0.00003550
0.02112396 -0.01627360 -0.01430091
20.19560547 10.79321977 6.90366792
-0.00033393 -0.00009605 -0.00009585
0.06005993 -0.00440578 0.03664799
-3.07330154 1.05795955 -23.89714603
-0.00009397 -0.00017465 -0.00007697
-0.04475537 0.02159236 -0.02607879
-13.58454777 8.73367607 8.70668622
0.00023273 -0.00022829 0.00013595
0.00211837 0.00563196 -0.00204923
-13.60814179 6.00327201 -3.45845919
-0.00018105 -0.00012628 -0.00030579
-0.00493071 0.01250247 -0.01353672
-2.45921786 -15.44467811 20.53078527
-0.00021004 -0.00007658 0.00001115
0.01020310 -0.00872580 -0.00269064
-5.98150629 7.83111744 -7.90041576
0.00016415 0.00039516 0.00013532
0.01527246 0.01316205 -0.02046155
-19.61680047 30.32268351 0.90390858
0.00020987 -0.00022046 -0.00012563
-0.01955143 -0.02011765 0.00389212
9.84898283 3.81561071 7.94471780
0.00001165 0.00004274 -0.00007865
0.03671196 -0.00412489 0.04067154
7.26531823 16.13218393 -11.58877926
0.00008648 0.00026912 0.00009663
-0.02527416 0.02054894 0.00545931
13.57604954 4.88464430 -1.25866044
-0.00041138 -0.00031114 -0.00005861
-0.01545950 0.01695128 -0.00710536
-6.05771041 11.62690512 -1.89417962
0.00009076 0.00041543 0.00040964
0.00367821 -0.02677301 0.03327224
7.74143955 12.55041757 5.28197675
-0.00019239 -0.00024170 0.00000922
0.03344038 0.00332433 -0.03051027
21.49936168 -11.91097380 -9.48453321
-0.00067051 0.00016791 0.00030242
-0.01576131 -0.01531033 0.00872299
19.75360147 -5.86045292 -0.93734191
-0.00015916 0.00020175 0.00046534
-0.02813595 -0.00264106 -0.02602829
14.94769016 8.01778287 8.88997147
0.00042327 0.00002902 0.00021590
-0.00230680 0.00884739 -0.00261236
3.84071823 -13.77141412 16.36872524
-0.00005088 -0.00004605 -0.00003910
-0.00545919 0.01167269 0.00245037
-2.60141041 -2.30669166 -13.60358418
0.00000063 0.00018719 0.00025558
0.03011573 0.01504672 -0.00975458
15.50402707 -7.40425626 -13.16661182
0.00001184 -0.00011241 0.00000063
0.01474553 -0.00937985 -0.00474318
9.81778784 -3.78456648 6.62192622
0.00005521 -0.00013181 -0.00030123
-0.03332191 0.00491231 -0.02920887
-19.39625033 1.42162023 24.83695550
0.00001351 0.00007560 -0.00006418
-0.03755346 -0.03183529 0.00754868
24.12593098 -1.08893837 -7.36855745
-0.00030182 0.00026366 0.00017037
0.01399126 -0.03025370 -0.02198678
11.63501494 -10.39614356 -11.35936419
0.00005762 0.00031932 0.00000210
-0.00208609 0.00311835 0.02556112
-8.91507147 -10.69736898 16.37398586
-0.00009366 0.00015338 -0.00035073
0.00655564 0.00081866 0.01002362
7.01594754 1.59193220 -27.92800874
0.00041034 0.00001286 -0.00006718
-0.02084549 -0.00371255 0.02015673
12.62122066 18.59028091 12.81953131
-0.00001443 -0.00030404 -0.00027977
0.01165041 0.00454890 0.00844035
26.02782507 7.55252134 -11.07900408
-0.00001863 -0.00001894 0.00009310
0.02040969 -0.00012473 0.01506461
5.10968545 -29.90554853 -4.88453967
-0.00019889 0.00011607 0.00000930
-0.00142829 0.00703918 0.00479964
3.97385447 -29.94566002 -2.14838736
-0.00041895 -0.00042153 -0.00018434
-0.00485125 0.01309194 0.01967725
-9.91894782 2.41246510 -8.69893416
-0.00007302 0.00060362 0.00024249
-0.04167931 -0.00627153 -0.01676602
-11.80981413 2.55120320 -11.08936203
-0.00003711 -0.00002367 0.00029107
0.00232616 0.00263368 0.00506626
-36.75355249 3.25098364 2.96267445
0.00061386 -0.00080093 0.00060117
0.00168092 -0.02507876 -0.00855641
-37.61678339 0.43558935 3.85685301
-0.00111248 -0.00012649 -0.00010719
0.00894689 0.01450903 -0.01166115
-8.67346565 -4.04013081 1.42658879
-0.00023491 0.00072908 0.00088262
-0.01397759 -0.00308918 -0.00564432
-6.38233406 -4.94882539 2.83953989
-0.00026909 -0.00030207 0.00015396
0.00133947 -0.00246364 0.00282109
2.88852200 -0.08728037 7.41731912
0.00036278 0.00007262 -0.00037862
0.01831264 -0.00367478 -0.04286112
1.62809980 1.80978722 9.27607768
-0.00018792 -0.00014629 -0.00026749
0.00256552 -0.02843276 -0.00179614
-29.86017401 0.09092150 2.79271137
-0.00009255 0.00037536 0.00061841
-0.02741923 0.00640252 -0.00372663
-32.80068908 0.98127644 2.76384219
0.00087085 0.00031764 -0.00004505
-0.01599198 -0.01327330 0.00464880
15.77088197 11.74646896 -18.45898301
-0.00060447 -0.00148897 -0.00037070
-0.01691410 -0.01735186 -0.00119393
18.43929840 12.41890856 -17.40247881
0.00044447 0.00032395 -0.00063078
-0.03527385 0.01367247 -0.01265957
-2.91971052 6.71763732 6.16765857
0.00022517 -0.00037311 -0.00030542
-0.00035658 0.00393845 0.00483478
-2.84727965 5.16307915 3.72753910
0.00031276 -0.00020816 0.00061647
-0.00965808 -0.00360402 0.02975493
6.10872711 16.46616083 -8.83230591
0.00099811 -0.00060160 -0.00061109
0.00032123 0.00785333 0.02693173
7.06273489 18.16709350 -6.66219972
-0.00104160 -0.00093222 0.00095451
0.02001714 0.01275455 0.00773621
7.77783341 5.28108205 -22.52530180
0.00059792 0.00143140 0.00061655
-0.00660708 -0.01319930 -0.03588114
8.64188897 6.94317599 -20.68769549
0.00002678 0.00011592 -0.00065464
-0.00503349 0.00764701 0.02124188
19.33222470 21.19289827 -4.27739119
0.00002305 0.00051175 -0.00057028
-0.02470266 -0.03204839 -0.00613153
19.42944768 19.71760731 -6.74045517
0.00043759 0.00052912 -0.00024814
0.00898199 -0.00597941 -0.01571419
1.43033997 12.37211387 -20.75138318
-0.00041258 0.00036426 -0.00115371
-0.00680823 -0.01127911 -0.00404496
0.69546478 14.88673856 -22.26953675
0.00048638 -0.00008453 -0.00028475
-0.01021945 -0.01219653 0.01208266
10.00586406 -6.99710818 -0.04915777
-0.00079157 -0.00012204 0.00127663
0.00455334 0.00528566 -0.00357896
9.40880780 -4.06364569 -0.67552497
-0.00053106 -0.00022737 0.00090564
0.02547884 -0.02474458 0.02856724
-18.22182452 -5.39760228 6.71283469
-0.00017882 -0.00073475 -0.00081120
-0.00301983 -0.00868750 0.01190437
-18.74859912 -5.05763431 3.91084222
-0.00003028 0.00028794 0.00055934
0.00233485 0.00233929 0.00269154
-14.40357671 -0.08764558 19.25769692
-0.00037226 0.00087208 -0.00043401
0.00007532 -0.01839505 0.00902499
-14.40497740 -0.29179565 22.17718465
-0.00067080 0.00038110 -0.00045098
0.00083889 -0.00256999 0.00359138
1.09610048 2.72993460 -2.60187482
-0.00046498 -0.00053917 -0.00010916
0.00042727 0.00145272 0.00363398
2.00706857 2.45199375 -5.29543350
-0.00036575 0.00135980 -0.00104312
-0.00604571 0.01215102 0.00970757
21.40267086 -10.54082228 -6.37845409
-0.00098189 0.00037648 0.00079876
0.00961000 0.00583780 0.03198545
22.73671738 -9.95862394 -3.42809239
0.00030313 -0.00021167 -0.00018704
-0.03311737 -0.01328215 -0.04457120
4.64107828 -10.40832819 6.91493407
0.00078201 0.00021042 -0.00078620
0.02925229 0.00386939 -0.02173107
3.40051570 -11.69612020 9.07003086
0.00012954 0.00031900 0.00052918
-0.00670796 0.00264466 0.00151543
-2.07950053 -3.34233779 -20.76592339
0.00024287 -0.00089186 -0.00004793
0.00348255 0.01278359 0.01063796
-3.21045523 -2.02147728 -18.49072242
0.00093527 -0.00029367 0.00047061
-0.01601275 -0.00002157 0.02014563
0.80367672 4.86150119 -10.34864254
0.00050697 -0.00054158 -0.00129402
0.00786526 0.01239254 0.01269078
-1.30672455 3.27563833 -8.97733271
0.00132544 -0.00010827 -0.00084344
-0.01166152 -0.00077795 0.04300397
-3.96928584 15.62175327 15.55486800
-0.00078875 0.00061674 0.00021979
0.02516195 0.02196529 0.03091002
-6.66102972 15.09446446 14.87467641
-0.00013841 0.00041352 -0.00082715
-0.01784168 0.00145553 0.00582081
-6.67765290 2.06888490 -6.13640662
0.00016860 0.00020610 0.00088360
-0.00159854 -0.00504077 0.00471347
-4.86860034 1.49594290 -8.34604190
-0.00035179 0.00057952 -0.00040082
-0.00248592 -0.01335875 -0.01633381
-9.92506942 -0.77414793 -3.82811294
0.00021331 0.00059746 -0.00006471
-0.00957366 -0.00050712 0.01308853
-9.67302269 2.26639216 -2.75854205
-0.00014684 -0.00047339 -0.00041975
0.00455471 -0.02689477 -0.01884695
3.32060822 28.98617155 4.82522448
0.00042650 -0.00041743 0.00051728
-0.00253273 -0.00571587 0.01330995
3.13052105 27.63804276 7.52483617
-0.00040041 0.00041775 -0.00064934
0.01274631 0.02014710 0.05645305
8.03087943 -10.99388910 -1.07863770
0.00013600 -0.00053729 -0.00103710
0.02884357 0.00621594 -0.01251283
10.72173261 -11.29595910 0.07692872
-0.00015288 -0.00093211 -0.00056637
0.00259922 -0.00649379 0.00504785
-5.48065524 -0.16545494 8.68518766
0.00058814 -0.00051220 -0.00022508
0.00538318 0.01988698 0.00971710
-8.17035607 -0.04135545 9.02544480
-0.00055042 0.00007597 -0.00008098
-0.02593844 -0.00314266 0.00475265
20.35471289 10.89330307 8.81824575
-0.00054348 -0.00052764 0.00033846
-0.01490984 -0.00353191 -0.03179967
22.14373763 10.80336741 6.66078794
0.00101005 -0.00046783 0.00012592
-0.03778580 0.00525726 -0.00361713
-2.88943794 -0.17891718 -22.58212490
-0.00045033 0.00071777 -0.00099982
-0.00363652 -0.00329310 0.01909697
-4.96535558 1.45603087 -24.10397789
0.00119425 0.00017844 0.00036246
0.04895333 -0.01476218 0.00709471
-12.42564436 9.97131807 9.56844151
0.00063960 0.00043716 -0.00002712
-0.00763564 -0.01475667 0.00169725
-13.48106974 9.42592101 7.01313029
-0.00034501 -0.00060392 0.00045253
-0.00870447 -0.00295676 0.00286178
-14.75376686 4.86469895 -4.39359816
-0.00067360 0.00023502 0.00014268
0.01284408 0.00875874 -0.00069101
-13.65940363 7.70941384 -4.22738418
0.00031285 -0.00094345 -0.00065715
-0.00462648 -0.02507704 0.00988602
-4.23935976 -15.70002889 20.40197557
-0.00083860 -0.00063404 0.00034092
-0.01124361 -0.00549258 0.00009875
-1.73811702 -16.76851142 19.44502853
-0.00068170 -0.00007094 -0.00035304
-0.00581685 0.01357854 0.00749647
-5.39725528 6.15617875 -7.54112709
-0.00068014 0.00043622 0.00020360
-0.00996113 -0.01326159 0.00732073
-7.40859200 8.33434393 -6.89953722
0.00021390 -0.00017839 0.00055680
-0.00429811 -0.00098616 0.00607154
-20.93818893 28.97362333 0.93413460
0.00021454 -0.00023551 0.00071448
0.02293339 0.02402163 -0.00666715
-18.05016960 29.51172029 0.35919214
0.00036587 0.00039825 -0.00089050
-0.00726453 -0.00006159 0.00801938
9.26900641 2.83211960 6.64822499
-0.00038148 -0.00014804 0.00006346
-0.02053471 -0.03722037 -0.04522358
9.15362268 5.43447507 7.74490683
0.00061200 -0.00022695 0.00057271
-0.01095209 0.03683174 0.00611034
7.71923877 17.74810076 -12.32644907
-0.00039302 -0.00014934 0.00014772
0.00669575 -0.00933568 0.00103107
8.40227742 14.93357971 -12.25692332
-0.00016018 0.00018517 -0.00032755
0.01672578 -0.01499236 -0.00707841
12.07169176 5.99400295 -1.12523337
0.00101808 -0.00026783 -0.00043503
0.02301079 -0.01525159 -0.00224860
13.62355943 3.83364243 0.24440374
0.00006218 -0.00083083 0.00029113
-0.00274626 -0.00163077 0.01206225
-4.48351776 10.63572958 -1.88553092
-0.00024606 -0.00154104 0.00049011
-0.00233841 0.01076430 -0.00710066
-7.07242526 10.73588178 -0.55904962
0.00059070 -0.00038285 0.00066635
0.01322838 0.01793571 -0.02195286
7.43786759 14.34416643 4.96056890
0.00003485 0.00104842 0.00045967
0.00567864 -0.01159803 -0.00080981
9.29041229 11.99415129 4.19333878
0.00005413 -0.00015930 0.00072954
-0.03828154 0.01434680 0.02643541
20.23911344 -13.13336100 -8.75152043
-0.00036746 0.00049517 -0.00021183
0.02123993 0.01931939 -0.01247981
23.21339038 -12.54323989 -9.19735854
0.00039842 -0.00065059 -0.00116364
-0.01709627 -0.00055037 -0.00177884
19.76134242 -4.95563915 -2.58493027
-0.00071279 -0.00005131 0.00002329
0.00173488 -0.00171502 0.01289669
18.17751815 -6.89767393 -1.18440182
0.00005712 -0.00026643 0.00046944
0.02710212 0.00726000 0.01225786
13.97298472 9.54532326 9.13770736
-0.00000293 -0.00057100 0.00078337
-0.00265519 -0.00503789 -0.00725366
15.27438519 7.64406396 10.63288751
0.00073675 -0.00020365 0.00074921
0.00906110 -0.00847972 0.01575592
2.98960727 -14.95524862 17.42313004
0.00050763 0.00050439 -0.00030909
-0.00441328 -0.03291822 0.00200080
3.16445362 -12.33491707 17.29029979
-0.00039451 -0.00015844 -0.00000463
0.01127516 0.01651066 -0.01163135
-2.64380507 -3.72983173 -12.51670879
-0.00026383 0.00026097 -0.00022123
-0.00466716 -0.01513841 0.00754525
-0.74699112 -1.85067799 -13.69050646
0.00032205 -0.00054609 -0.00128115
-0.02885797 0.00080131 0.00263290
15.90161945 -7.44400203 -15.02137572
-0.00072962 0.00011584 -0.00011161
0.00024908 -0.00979929 0.02355700
16.84355044 -8.31965840 -12.20698827
0.00019423 0.00048387 -0.00041736
-0.01749594 0.01702579 -0.01836411
8.08585534 -3.43888238 5.85818963
0.00071371 0.00082430 -0.00022793
0.03350898 -0.00872704 0.01523323
10.69438658 -4.54796913 5.18388156
0.00134798 -0.00076041 -0.00001167
-0.00032972 0.00755812 0.00784143
-20.96118094 0.42126610 25.28173808
0.00000044 -0.00122843 0.00000682
0.02785045 0.01199529 -0.01753654
-19.50745457 2.74759333 26.08135419
-0.00074115 -0.00052185 0.00007323
0.00462024 0.01450207 0.00507769
25.21200049 -2.68728290 -7.51719630
-0.00034311 0.00008295 -0.00073753
-0.01602813 0.02712944 0.01040587
23.53465928 -0.88228347 -9.12101643
0.00032836 0.00019685 -0.00045299
0.00950694 0.00411463 0.01359469
11.96301653 -10.39426609 -9.51525642
0.00044205 -0.00132261 -0.00060979
0.00117790 -0.00055398 -0.01291659
12.93754690 -9.37274317 -12.13683362
-0.00006053 0.00069874 -0.00048550
0.00819257 0.01470264 -0.00293813
-7.30235482 -10.77576671 17.41704470
-0.00099034 -0.00005972 -0.00042169
-0.02582650 0.00597487 -0.01319803
-10.16319516 -10.33830583 17.69065538
0.00032476 0.00130181 0.00022727
0.00208136 -0.00492430 -0.00672870
8.12044497 1.35063575 -29.34547563
-0.00018312 -0.00089159 0.00007544
0.01959774 0.00578573 -0.01852089
5.42386413 0.81465514 -28.36653104
-0.00031187 0.00007048 -0.00029132
-0.00103065 -0.00067909 -0.00269234
14.04963222 19.36422647 13.72846287
-0.00072121 -0.00047215 -0.00051493
-0.01418836 -0.01100748 -0.01563046
13.28809273 17.72463536 11.34345857
0.00078612 0.00038637 0.00078687
0.00420569 0.00339378 0.00776168
27.83842476 7.79376660 -11.52257420
0.00056802 0.00024018 -0.00000118
-0.01099110 -0.00268729 -0.00468931
26.09977730 7.64277864 -9.20299214
0.00043551 0.00011945 -0.00037095
0.00028413 0.00032247 -0.00780336
-7.83334625 4.72618446 6.15415973
0.00010782 0.00002172 0.00011431
-0.00238065 -0.00403339 0.00293672
-10.31018775 9.12741196 3.04723685
0.00028018 -0.00010682 0.00023833
0.00848993 -0.00271180 0.00742003
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.07546314
0.28447592
379.04989581
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0596656977
ExchangeOperator: pair fraction: ispin=0: 0.1488155760
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3121348506 (a.u.)
total exchange computation time: 2.9899480343 s
-153.8756775000
-931.35916092
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0596656977
ExchangeOperator: pair fraction: ispin=0: 0.1488155760
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3123150965 (a.u.)
total exchange computation time: 2.9877731800 s
-153.8751933914
Anderson extrapolation: theta=1.3622290391 (1.3622290391)
-931.35939147
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0596656977
ExchangeOperator: pair fraction: ispin=0: 0.1488155760
ExchangeOperator: bisection time: 1.422 s
total exchange = -52.3125049351 (a.u.)
total exchange computation time: 2.9866139889 s
-153.8749609692
Anderson extrapolation: theta=0.0562951302 (0.0562951302)
-931.35953265
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0596656977
ExchangeOperator: pair fraction: ispin=0: 0.1488155760
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3124664428 (a.u.)
total exchange computation time: 2.9869630337 s
-153.8753581358
Anderson extrapolation: theta=2.0667516713 (2.0000000000)
-931.35953896
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0596656977
ExchangeOperator: pair fraction: ispin=0: 0.1488155760
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3123696249 (a.u.)
total exchange computation time: 2.9878249168 s
-153.8762499073
Anderson extrapolation: theta=0.2729485643 (0.2729485643)
-931.35954662
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0596656977
ExchangeOperator: pair fraction: ispin=0: 0.1488155760
ExchangeOperator: bisection time: 1.422 s
total exchange = -52.3123370642 (a.u.)
total exchange computation time: 2.9893479347 s
-153.8764832604
Anderson extrapolation: theta=1.6307240085 (1.6307240085)
-931.35954840
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0596656977
ExchangeOperator: pair fraction: ispin=0: 0.1488155760
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.3122955869 (a.u.)
total exchange computation time: 2.9881629944 s
-153.8767231290
Anderson extrapolation: theta=0.3356517830 (0.3356517830)
-931.35955043
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0596656977
ExchangeOperator: pair fraction: ispin=0: 0.1488155760
ExchangeOperator: bisection time: 1.422 s
total exchange = -52.3122942536 (a.u.)
total exchange computation time: 2.9883041382 s
-153.8766690222
Anderson extrapolation: theta=1.1503830723 (1.1503830723)
-931.35955098
65.359397 71.648218 -167.090012
561.371668 1074.480623 -406.814284
626.731065 1146.128841 -573.904296
1426.803872
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0596656977
ExchangeOperator: pair fraction: ispin=0: 0.1488155760
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.3123020629 (a.u.)
total exchange computation time: 2.9865810871 s
677.89990708
-1081.98057662
89.90176377
-390.23356291
-174.63478062
77.26269144
551.60419304
0.00000000
-931.35955136
4.55474938 -30.97069414 -3.48359221
-0.00004524 -0.00025488 0.00004790
0.00924478 -0.02361268 -0.02328450
-11.70919015 2.12529770 -9.29096171
0.00032895 0.00010561 0.00018867
0.03364404 0.00508318 0.01022710
-36.19959360 1.41188762 3.14109380
0.00010064 0.00030813 0.00008212
-0.01628607 -0.00656747 0.01988323
-7.42883443 -3.46954174 2.63471230
0.00012159 0.00004763 -0.00000436
0.01604828 0.00057303 0.00952436
2.25314648 0.04401453 9.04280290
-0.00006161 -0.00019152 0.00025752
-0.02179995 0.02177039 0.03496765
-31.08764452 1.50683042 2.58801732
-0.00018023 0.00020028 -0.00014418
0.05115877 0.01160222 0.00278619
16.84076361 13.16240753 -18.27942375
-0.00006427 0.00006602 -0.00039266
0.04031885 0.00050995 0.01922826
-3.44868451 5.08954046 5.51644225
-0.00002573 -0.00013865 -0.00019800
0.00974784 0.00151995 -0.03537692
5.71419769 17.05705760 -7.00982459
-0.00013200 0.00004686 -0.00008178
-0.02666312 -0.02561444 -0.04071246
7.23504211 5.75702975 -20.87517247
-0.00003857 0.00005531 0.00024300
0.00980081 0.01958649 0.02093035
18.60144839 19.58373013 -5.15590532
-0.00003901 -0.00019012 -0.00004668
0.01940533 0.03471484 0.01965707
1.95398495 14.02857968 -21.23304545
0.00004397 0.00031140 -0.00006915
0.01588281 0.02783650 0.00006011
10.51304241 -5.29334929 0.43738272
0.00023062 0.00004962 -0.00003426
-0.03023200 0.01990709 -0.02622975
-17.90207664 -4.27030265 5.34807485
0.00061582 -0.00042392 -0.00000427
0.00338069 0.00511548 -0.01281172
-14.29249131 -1.34663165 20.67879146
-0.00004130 -0.00004111 0.00024498
-0.00188021 0.02037722 -0.02095900
1.60018520 3.75251367 -4.02906000
0.00003926 -0.00011774 -0.00017601
0.00233097 -0.01512750 -0.00727163
21.24174064 -10.60781568 -4.48286517
-0.00003725 0.00009736 -0.00006863
0.02301324 0.01345180 0.02078774
3.07066864 -10.47027849 7.73426566
-0.00004163 -0.00022718 -0.00026081
-0.01657292 -0.00806738 0.01418422
-1.94145078 -1.77164131 -19.71372660
-0.00020561 0.00007442 -0.00036814
0.01607441 -0.02134621 -0.03274235
-0.55549174 3.69640975 -10.49181919
-0.00049711 0.00026876 -0.00004414
0.01373817 -0.00013440 -0.06728414
-4.96414776 14.71992722 14.44809930
0.00011193 0.00012312 -0.00016967
-0.00691522 -0.02409627 -0.03913893
-5.33095097 2.76833158 -7.18273515
0.00020446 0.00004554 0.00023349
-0.00145995 0.01318528 0.01519677
-9.24708880 0.88176194 -4.02309349
0.00002635 0.00020401 0.00009475
0.01797652 0.02881439 -0.00672002
2.87304922 27.49603575 5.82634934
-0.00004506 0.00001575 -0.00006313
-0.01015504 -0.00925266 -0.07078182
9.86859334 -10.84152578 -1.48155925
-0.00042108 -0.00003282 0.00015149
-0.03529463 0.01056457 -0.00873419
-6.77498946 1.05670019 9.28842743
-0.00002025 0.00010064 0.00002760
0.02168418 -0.02168995 -0.01640839
20.19082822 10.79176204 6.90237150
-0.00030175 -0.00009841 -0.00007680
0.06508142 -0.00479156 0.03743481
-3.07488365 1.05542304 -23.89840116
-0.00011564 -0.00016209 -0.00009197
-0.03951846 0.02728093 -0.03226354
-13.58104858 8.73027340 8.70871754
0.00023420 -0.00022524 0.00013612
0.00359032 0.00622317 0.00273245
-13.61087658 6.00142601 -3.46309824
-0.00018346 -0.00012063 -0.00031221
-0.00441684 0.00946552 -0.01143458
-2.46232903 -15.44586042 20.53094221
-0.00020637 -0.00008129 0.00000964
0.00406959 -0.00959751 -0.00319956
-5.97898518 7.83709557 -7.89846492
0.00017162 0.00040232 0.00012492
0.01377021 0.01467874 -0.01999314
-19.61372778 30.31929899 0.90203916
0.00019993 -0.00023059 -0.00012363
-0.01911573 -0.01928464 0.00387584
9.84929924 3.81623597 7.94369497
0.00003084 0.00003908 -0.00005808
0.03790990 -0.01013734 0.03931163
7.26651801 16.13629992 -11.58730879
0.00007343 0.00027856 0.00009976
-0.02550649 0.01618024 0.00671345
13.56981926 4.88004258 -1.25956706
-0.00041740 -0.00030415 -0.00006162
-0.00796803 0.01025050 -0.00456976
-6.05633488 11.63303326 -1.88790662
0.00009354 0.00040039 0.00042712
0.00716027 -0.03169735 0.03468819
7.73868275 12.54680490 5.28199740
-0.00017582 -0.00023796 -0.00000642
0.03099050 0.01121770 -0.03030656
21.48924325 -11.90851423 -9.47996327
-0.00067623 0.00016017 0.00030651
-0.00650382 -0.01479105 0.00719719
19.75110553 -5.85743685 -0.93046222
-0.00017366 0.00020049 0.00045155
-0.02826185 -0.00227984 -0.02757921
14.95403035 8.01825226 8.89319994
0.00042249 0.00003293 0.00021582
-0.00071891 0.00635394 0.00227907
3.83993390 -13.77205992 16.36814813
-0.00005302 -0.00003888 -0.00003863
-0.00285074 0.01620870 -0.00059490
-2.60128476 -2.30382575 -13.59978804
0.00001629 0.00019551 0.00024993
0.03077072 0.01729359 -0.01223837
15.50426150 -7.40597859 -13.16662069
0.00001879 -0.00011681 -0.00000204
0.01228019 -0.00772963 -0.00564088
9.81848752 -3.78652463 6.61729515
0.00003943 -0.00012981 -0.00031653
-0.02804725 0.00284696 -0.03029000
-19.39619254 1.42263145 24.83602195
-0.00000643 0.00005825 -0.00006037
-0.03998878 -0.03564156 0.00724934
24.12145760 -1.08510024 -7.36608676
-0.00029467 0.00024797 0.00015822
0.01381919 -0.03075243 -0.02526464
11.63587120 -10.39134169 -11.35923411
0.00005668 0.00032105 0.00001392
-0.00156865 0.00359778 0.02039870
-8.91645108 -10.69506506 16.36876360
-0.00009154 0.00015402 -0.00034533
0.00169160 0.00163544 0.01098577
7.02202221 1.59211079 -27.92893864
0.00039806 0.00001042 -0.00005673
-0.02689987 -0.00577072 0.02047686
12.62104914 18.58573787 12.81536738
-0.00000980 -0.00030147 -0.00027480
0.00636548 0.00543574 0.01088582
26.02762434 7.55223678 -11.07754941
-0.00000722 -0.00001887 0.00009997
0.02394279 0.00039291 0.01165399
5.10665834 -29.90359175 -4.88425307
-0.00020558 0.00014314 0.00003049
-0.00184496 0.00621147 0.00557304
3.96742156 -29.95158176 -2.15054947
-0.00043941 -0.00036693 -0.00010224
-0.00516305 0.01363223 0.02050947
-9.92132023 2.42132728 -8.69581062
-0.00023913 0.00057829 0.00017492
-0.03963685 -0.00613094 -0.01630665
-11.81029952 2.55092889 -11.08484070
-0.00002705 -0.00001244 0.00031026
0.00259784 0.00286364 0.00432395
-36.74429306 3.23820112 2.97142975
0.00061688 -0.00089213 0.00056529
-0.00020579 -0.01956189 -0.00900605
-37.63319637 0.43413657 3.85488778
-0.00106501 -0.00005967 -0.00016033
0.01428907 0.01819996 -0.01434913
-8.67741764 -4.02928932 1.43965513
-0.00029675 0.00071338 0.00085409
-0.01629215 -0.00459634 -0.00832096
-6.38632932 -4.95343193 2.84193580
-0.00026473 -0.00031113 0.00016467
0.00079449 -0.00196960 0.00241978
2.89452491 -0.08630367 7.41032640
0.00043203 0.00005854 -0.00053827
0.01558641 -0.00321684 -0.03528972
1.62535961 1.80672162 9.27201024
-0.00017778 -0.00026201 -0.00027417
0.00239598 -0.02821539 -0.00147213
-29.86240253 0.09674817 2.80187332
-0.00020387 0.00040158 0.00060261
-0.02706950 0.00642803 -0.00400500
-32.78811636 0.98563438 2.76330892
0.00078932 0.00025870 -0.00002455
-0.02391580 -0.01557977 0.00538652
15.76129667 11.72360274 -18.46458004
-0.00065660 -0.00153807 -0.00037231
-0.00860463 -0.00668239 0.00040305
18.44488460 12.42418674 -17.41232841
0.00029857 0.00037956 -0.00068255
-0.03614463 0.01354808 -0.01268291
-2.91634394 6.71216136 6.16322537
0.00022403 -0.00035457 -0.00028384
-0.00020012 0.00513578 0.00572931
-2.84288422 5.15984629 3.73769793
0.00027567 -0.00022330 0.00072895
-0.00849581 -0.00380623 0.02530537
6.12370861 16.45737742 -8.84064703
0.00099782 -0.00056623 -0.00049486
-0.00046448 0.00946027 0.02996455
7.04772435 18.15350105 -6.64764508
-0.00094470 -0.00086779 0.00099029
0.02741576 0.01878171 0.00978173
7.78659981 5.30214863 -22.51715304
0.00057107 0.00137222 0.00046141
-0.00653878 -0.01577287 -0.04005914
8.64213642 6.94514918 -20.69686424
0.00000594 0.00014853 -0.00056423
-0.00516790 0.00831472 0.02301578
19.33181347 21.19959251 -4.28613327
-0.00007928 0.00037779 -0.00059475
-0.02538751 -0.03352962 -0.00584669
19.43628676 19.72536088 -6.74465878
0.00047024 0.00050303 -0.00030567
0.00699836 -0.00678940 -0.01245021
1.42394261 12.37723216 -20.76881283
-0.00044032 0.00031471 -0.00116871
-0.00676835 -0.01297584 -0.00329346
0.70244734 14.88509693 -22.27343771
0.00044155 -0.00013052 -0.00023862
-0.01172462 -0.01031652 0.01049568
9.99413007 -6.99877677 -0.03011798
-0.00077228 -0.00009909 0.00126206
0.00488861 0.00594508 -0.00355337
9.40162264 -4.06781446 -0.66106504
-0.00042731 -0.00032690 0.00101999
0.02530594 -0.02397473 0.02740838
-18.22459936 -5.40888977 6.70103148
-0.00019121 -0.00077218 -0.00075786
-0.00304318 -0.00963188 0.01420582
-18.74898173 -5.05324347 3.91931481
-0.00002330 0.00029569 0.00056339
0.00108172 0.00145357 -0.00071020
-14.40915829 -0.07512813 19.25146329
-0.00037103 0.00078826 -0.00038945
0.00052764 -0.02263535 0.01279093
-14.41501373 -0.28615792 22.17053006
-0.00066733 0.00037205 -0.00043240
0.00086169 -0.00186080 0.00550330
1.08913895 2.72189153 -2.60340081
-0.00046081 -0.00053045 -0.00010111
0.00161293 0.00281477 0.00030381
2.00139712 2.47276306 -5.31078284
-0.00038904 0.00140248 -0.00100670
-0.00535558 0.00874274 0.00812081
21.38823704 -10.53499625 -6.36549251
-0.00094031 0.00040057 0.00091792
0.01073985 0.00595362 0.02634032
22.74024949 -9.96220597 -3.43226372
0.00016726 -0.00026549 -0.00036953
-0.03339122 -0.01306235 -0.04476017
4.65370476 -10.40505336 6.90247518
0.00088499 0.00022443 -0.00086550
0.02116003 0.00298759 -0.01708943
3.40225320 -11.69125416 9.07801494
0.00010259 0.00033205 0.00053185
-0.00648407 0.00374298 -0.00020638
-2.07575076 -3.35532392 -20.76631638
0.00025652 -0.00083390 -0.00000183
0.00319968 0.01558849 0.01192781
-3.19691685 -2.02588300 -18.48304600
0.00086831 -0.00029450 0.00055467
-0.01676514 -0.00038485 0.02100633
0.81152226 4.85375718 -10.36766399
0.00053680 -0.00049318 -0.00124178
0.00673573 0.01130299 0.01288191
-1.28720030 3.27399046 -8.98866649
0.00126720 -0.00011867 -0.00064214
-0.01684720 -0.00431566 0.05553076
-3.98034609 15.63167750 15.55911203
-0.00068656 0.00070609 0.00034515
0.02486069 0.02176977 0.03045562
-6.66365258 15.10071189 14.86244760
-0.00020879 0.00041830 -0.00080477
-0.01660903 0.00088160 0.00513109
-6.67517283 2.07182187 -6.12300824
0.00016567 0.00018639 0.00089892
0.00016330 -0.00460774 0.00278657
-4.87395338 1.50422630 -8.35255472
-0.00036241 0.00052384 -0.00046828
-0.00271305 -0.01389327 -0.01668868
-9.92216311 -0.76520155 -3.82868252
0.00017125 0.00058803 -0.00001066
-0.01101451 -0.00411164 0.01336781
-9.67508566 2.25846719 -2.76541590
-0.00013029 -0.00057731 -0.00049124
0.00354282 -0.02397501 -0.01614795
3.32692812 28.97973494 4.83339156
0.00041784 -0.00043471 0.00056619
-0.00170583 -0.00274338 0.01063089
3.12490556 27.64492646 7.51682589
-0.00034721 0.00050042 -0.00040745
0.01329154 0.02031655 0.06195544
8.03380335 -11.00175794 -1.09457756
0.00024471 -0.00051260 -0.00108459
0.02436921 0.00587014 -0.01073533
10.71951899 -11.31013981 0.06858792
-0.00014184 -0.00095925 -0.00054247
0.00280885 -0.00678706 0.00665129
-5.47166813 -0.17252859 8.68210923
0.00060150 -0.00042454 -0.00018191
0.00115317 0.02302340 0.01141306
-8.17940713 -0.04031218 9.02437580
-0.00064869 0.00006769 -0.00006067
-0.02216673 -0.00091050 0.00518647
20.34610374 10.88528025 8.82234814
-0.00060381 -0.00054180 0.00020496
-0.01461847 -0.00339957 -0.03354812
22.15773057 10.79651100 6.66256595
0.00084559 -0.00044562 0.00011324
-0.04272285 0.00561704 -0.00259093
-2.89630434 -0.16825156 -22.59653708
-0.00046232 0.00068976 -0.00090714
-0.00222996 -0.01041827 0.02627403
-4.94594181 1.45825509 -24.09832355
0.00138071 0.00012115 0.00038924
0.04232403 -0.01328050 0.00601201
-12.41628436 9.97742327 9.56808668
0.00060515 0.00037345 -0.00002250
-0.00922482 -0.01643097 0.00056313
-13.48651159 9.41677162 7.02000589
-0.00038011 -0.00061341 0.00045741
-0.00847948 -0.00168911 -0.00046928
-14.76347732 4.86849263 -4.39147920
-0.00062182 0.00026914 0.00013920
0.01250531 0.00794181 -0.00101059
-13.65485268 7.69449358 -4.23693852
0.00029385 -0.00103715 -0.00062008
-0.00467345 -0.02078900 0.00826138
-4.25228334 -15.70970786 20.40709233
-0.00087327 -0.00065455 0.00034251
-0.00572766 -0.00454709 0.00068171
-1.74852080 -16.76915944 19.43996269
-0.00070431 -0.00001544 -0.00032252
-0.00524898 0.01358977 0.00744238
-5.40776269 6.16231571 -7.53784882
-0.00071750 0.00037736 0.00023339
-0.00832704 -0.01555146 0.00726148
-7.40551519 8.33163779 -6.89099918
0.00019691 -0.00018130 0.00058031
-0.00402057 -0.00043568 0.00543849
-20.93426810 28.97082675 0.94464750
0.00030885 -0.00013834 0.00068627
0.02323271 0.02354428 -0.00714030
-18.04490416 29.51769222 0.34608045
0.00033430 0.00039739 -0.00085686
-0.00818981 -0.00036282 0.00844677
9.26265490 2.82875847 6.64779106
-0.00046398 -0.00029569 -0.00011680
-0.01984972 -0.03505530 -0.04301245
9.16246706 5.43219945 7.75368472
0.00056347 -0.00006874 0.00059597
-0.01280565 0.04061532 0.00527551
7.71354863 17.74557456 -12.32420160
-0.00036373 -0.00018003 0.00014883
0.00764291 -0.00568546 -0.00048999
8.40038719 14.93589782 -12.26205349
-0.00009330 0.00012526 -0.00035549
0.01601568 -0.01433346 -0.00659701
12.08766812 5.98951822 -1.13182774
0.00109872 -0.00032138 -0.00044172
0.01646305 -0.01096264 -0.00102404
13.62440803 3.82113004 0.24914038
0.00004935 -0.00083180 0.00033310
-0.00353793 0.00115621 0.00847977
-4.48728037 10.61294378 -1.87839682
-0.00026227 -0.00148993 0.00045918
-0.00559586 0.01425463 -0.00804005
-7.06315944 10.73068868 -0.54972701
0.00064350 -0.00030655 0.00057534
0.01261655 0.01941429 -0.02260044
7.43856441 14.35953734 4.96743913
0.00006091 0.00098568 0.00045855
0.00707703 -0.01911251 0.00026170
9.29005119 11.99220144 4.20509189
-0.00010018 -0.00010123 0.00083495
-0.03725354 0.01407687 0.02516459
20.23425234 -13.12534144 -8.75508026
-0.00028544 0.00056805 -0.00025924
0.01890985 0.01635539 -0.01073039
23.21884284 -12.55301564 -9.21486770
0.00031431 -0.00064794 -0.00117198
-0.02407651 0.00184924 -0.00230373
19.75070373 -4.95646134 -2.58418567
-0.00070493 -0.00005898 0.00007864
0.00211412 -0.00203887 0.01419701
18.17920545 -6.90144798 -1.17698455
0.00016752 -0.00023697 0.00052013
0.02693856 0.00716116 0.01255313
13.97285934 9.53660390 9.14923561
-0.00001556 -0.00058831 0.00075374
-0.00352481 -0.00343417 -0.00724980
15.28571407 7.64074938 10.64460845
0.00077212 -0.00023612 0.00080356
0.00825574 -0.00741469 0.01084840
2.99708649 -14.94869151 17.41855497
0.00048381 0.00036072 -0.00029372
-0.00724621 -0.03740721 0.00552431
3.15888141 -12.33678771 17.28987386
-0.00034794 -0.00009106 -0.00005312
0.01152429 0.01647077 -0.01210438
-2.64790558 -3.72638109 -12.51979595
-0.00028234 0.00019494 -0.00018714
-0.00439310 -0.01718350 0.00913886
-0.74304470 -1.85884477 -13.70964306
0.00020201 -0.00054328 -0.00126835
-0.02989958 0.00057496 0.00363457
15.89068272 -7.44256477 -15.02232798
-0.00072736 0.00007536 -0.00001632
0.00085821 -0.01001213 0.02308764
16.84592778 -8.31187860 -12.21381147
0.00012653 0.00055019 -0.00048989
-0.01564559 0.01543878 -0.01713816
8.09758783 -3.42678528 5.85523745
0.00084689 0.00078806 -0.00016941
0.03168297 -0.00901566 0.01341520
10.71459620 -4.55914361 5.18394682
0.00133982 -0.00072492 0.00002650
-0.00366474 0.00980984 0.01084293
-20.96032091 0.40320729 25.28130298
0.00011924 -0.00117509 -0.00006673
0.03030226 0.01411442 -0.01846397
-19.51843026 2.74020993 26.08260828
-0.00072247 -0.00045949 0.00009636
0.00452199 0.01602498 0.00624080
25.20636268 -2.68520736 -7.52794034
-0.00040841 0.00019441 -0.00069265
-0.01593394 0.02743368 0.01156327
23.53987596 -0.87920463 -9.12739463
0.00036736 0.00021427 -0.00039311
0.00958294 0.00441421 0.01571404
11.96968333 -10.41412227 -9.52479905
0.00044847 -0.00132327 -0.00065565
0.00196680 0.00023457 -0.00953066
12.93688994 -9.36181150 -12.14420613
-0.00002984 0.00075563 -0.00049425
0.00683108 0.01314231 -0.00134421
-7.31800128 -10.77647938 17.41031497
-0.00108677 -0.00003571 -0.00047254
-0.02137717 0.00577896 -0.01169314
-10.15826003 -10.31892954 17.69385817
0.00033470 0.00128031 0.00019555
0.00278812 -0.00560036 -0.00879367
8.11829877 1.33743918 -29.34491151
-0.00009964 -0.00086823 -0.00000319
0.02126275 0.00564983 -0.01997335
5.41915447 0.81569157 -28.37098328
-0.00030794 0.00007173 -0.00029909
0.00295386 0.00129106 -0.00111281
14.03837926 19.35680691 13.72025995
-0.00077158 -0.00051150 -0.00057192
-0.01046612 -0.00825304 -0.01226433
13.30001339 17.73053494 11.35549944
0.00080644 0.00039297 0.00080660
0.00574127 -0.00016582 0.00189702
27.84660832 7.79728693 -11.52273562
0.00051646 0.00022832 -0.00001972
-0.01425085 -0.00311882 -0.00438429
26.10631866 7.64458025 -9.20879548
0.00043599 0.00012062 -0.00039663
-0.00004685 0.00025246 -0.00476964
-7.83173539 4.72649938 6.15588234
0.00010696 0.00002030 0.00011538
-0.00241342 -0.00389249 0.00299763
-10.30597023 9.12580496 3.05082466
0.00028216 -0.00010744 0.00024003
0.00856480 -0.00262100 0.00728483
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.07567142
0.28387994
378.25578397
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0598110465
ExchangeOperator: pair fraction: ispin=0: 0.1493347756
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3185108881 (a.u.)
total exchange computation time: 2.9035360813 s
-153.9007906868
-931.35920397
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0598110465
ExchangeOperator: pair fraction: ispin=0: 0.1493347756
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.3186348209 (a.u.)
total exchange computation time: 2.9081549644 s
-153.9008925282
Anderson extrapolation: theta=1.3622732065 (1.3622732065)
-931.35944152
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0598110465
ExchangeOperator: pair fraction: ispin=0: 0.1493347756
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3187537821 (a.u.)
total exchange computation time: 2.9031620026 s
-153.9014307090
Anderson extrapolation: theta=0.0570541731 (0.0570541731)
-931.35958722
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0598110465
ExchangeOperator: pair fraction: ispin=0: 0.1493347756
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3187172815 (a.u.)
total exchange computation time: 2.9039778709 s
-153.9018462019
Anderson extrapolation: theta=2.0616579026 (2.0000000000)
-931.35959379
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0598110465
ExchangeOperator: pair fraction: ispin=0: 0.1493347756
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.3186301735 (a.u.)
total exchange computation time: 2.9072730541 s
-153.9027480483
Anderson extrapolation: theta=0.2639694343 (0.2639694343)
-931.35960165
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0598110465
ExchangeOperator: pair fraction: ispin=0: 0.1493347756
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.3186061742 (a.u.)
total exchange computation time: 2.9036538601 s
-153.9029516539
Anderson extrapolation: theta=1.5992639257 (1.5992639257)
-931.35960336
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0598110465
ExchangeOperator: pair fraction: ispin=0: 0.1493347756
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3185828991 (a.u.)
total exchange computation time: 2.9033701420 s
-153.9031184486
Anderson extrapolation: theta=0.3207425652 (0.3207425652)
-931.35960523
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0598110465
ExchangeOperator: pair fraction: ispin=0: 0.1493347756
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3185904803 (a.u.)
total exchange computation time: 2.9035539627 s
-153.9030236143
Anderson extrapolation: theta=1.1665430140 (1.1665430140)
-931.35960569
65.432814 27.222730 -167.093851
561.336906 1074.469126 -406.872060
626.769720 1101.691857 -573.965911
1391.402924
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0598110465
ExchangeOperator: pair fraction: ispin=0: 0.1493347756
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3186097919 (a.u.)
total exchange computation time: 2.9625041485 s
677.99350903
-1082.19234612
89.89858978
-390.08931825
-174.65143064
77.38103295
551.60419304
0.00000000
-931.35960599
4.55410640 -30.97460840 -3.48296360
-0.00004038 -0.00026675 0.00003570
0.00967549 -0.02255132 -0.02414173
-11.70412607 2.12690150 -9.28809217
0.00034544 0.00010806 0.00019387
0.03045702 0.00444026 0.00996294
-36.19814690 1.41648421 3.14240229
0.00009157 0.00030222 0.00009316
-0.01898024 -0.01642628 0.02303020
-7.42694866 -3.46882504 2.63468366
0.00013048 0.00004812 0.00000121
0.01852184 0.00130380 0.01211278
2.25213827 0.04122576 9.04680065
-0.00007183 -0.00018069 0.00027310
-0.01795699 0.02033023 0.02561664
-31.09015063 1.50987937 2.58586540
-0.00015221 0.00020683 -0.00014290
0.05781094 0.01386551 0.00219679
16.83995508 13.16339983 -18.28523942
-0.00004554 0.00006378 -0.00038315
0.03250103 -0.00921102 0.01774697
-3.44903280 5.08746656 5.51333576
-0.00002113 -0.00013806 -0.00021500
0.00813125 0.00076760 -0.03071732
5.71211481 17.05766165 -7.01120838
-0.00014719 0.00003200 -0.00010384
-0.03241270 -0.03217889 -0.04507390
7.23450144 5.75793500 -20.87144667
-0.00003341 0.00006578 0.00025394
0.01024496 0.02112625 0.02159616
18.60093817 19.58101223 -5.15652967
-0.00002837 -0.00017189 -0.00003764
0.02194027 0.03619331 0.01548569
1.95470571 14.03335799 -21.23408240
0.00005245 0.00032545 -0.00006880
0.01712278 0.02682708 0.00127762
10.51638516 -5.29252819 0.43676757
0.00021516 0.00005934 -0.00004736
-0.02991729 0.01790367 -0.02469205
-17.89282627 -4.27664178 5.34796137
0.00061786 -0.00042095 -0.00001045
0.00456117 0.00646330 -0.01122658
-14.29311799 -1.34716970 20.68238527
-0.00004238 -0.00002985 0.00023287
-0.00235155 0.02340698 -0.02614067
1.60078315 3.75068920 -4.03172816
0.00003999 -0.00012498 -0.00017844
0.00050335 -0.01300511 -0.00217881
21.24127072 -10.60630345 -4.48381450
-0.00002578 0.00010407 -0.00005638
0.02157393 0.01267635 0.02688024
3.06998026 -10.47371724 7.73040825
-0.00004804 -0.00023137 -0.00025441
-0.00836474 -0.00823543 0.01071064
-1.94447289 -1.77060741 -19.71937506
-0.00019728 0.00006294 -0.00038518
0.01631408 -0.02327131 -0.03348768
-0.56289536 3.70044063 -10.49274086
-0.00048861 0.00026990 -0.00008148
0.01931653 0.00457605 -0.07792829
-4.96249553 14.72168103 14.44540328
0.00010829 0.00011127 -0.00018912
-0.00724355 -0.02195638 -0.03650632
-5.32788974 2.76906557 -7.17917418
0.00020332 0.00005221 0.00024173
-0.00296636 0.01274975 0.01685698
-9.24662422 0.88493316 -4.02169813
0.00003617 0.00021863 0.00009038
0.02021507 0.02805646 -0.01030017
2.87233421 27.49623635 5.82512934
-0.00005054 0.00001014 -0.00009930
-0.01115966 -0.01258070 -0.06988537
9.86214104 -10.84197729 -1.47932053
-0.00043779 -0.00002717 0.00014625
-0.02970674 0.01138539 -0.01166014
-6.77520957 1.05812617 9.28877820
-0.00000920 0.00008818 0.00001868
0.02129824 -0.02679000 -0.01828019
20.18655305 10.79026734 6.90136387
-0.00026731 -0.00010099 -0.00005752
0.06882428 -0.00521489 0.03753964
-3.07677064 1.05309699 -23.89990519
-0.00013418 -0.00014680 -0.00011001
-0.03257969 0.03215435 -0.03788190
-13.57752168 8.72691875 8.71076995
0.00023636 -0.00022198 0.00013873
0.00478460 0.00647330 0.00738218
-13.61364544 5.99965303 -3.46782550
-0.00018554 -0.00011669 -0.00031741
-0.00370932 0.00585391 -0.00878002
-2.46540881 -15.44711677 20.53107446
-0.00020590 -0.00008637 0.00000794
-0.00227035 -0.01017602 -0.00339880
-5.97635784 7.84318695 -7.89666831
0.00017825 0.00041013 0.00011488
0.01201433 0.01569904 -0.01903803
-19.61080256 30.31576569 0.90019965
0.00019034 -0.00024012 -0.00012164
-0.01818016 -0.01775804 0.00385186
9.84990811 3.81678302 7.94297541
0.00005025 0.00003230 -0.00003876
0.03757116 -0.01622788 0.03581931
7.26752102 16.14054074 -11.58578653
0.00006041 0.00028553 0.00010346
-0.02509418 0.01093292 0.00766582
13.56352752 4.87551995 -1.26050893
-0.00041935 -0.00030081 -0.00006330
0.00040470 0.00272595 -0.00199251
-6.05490411 11.63891686 -1.88136602
0.00009811 0.00038297 0.00044514
0.01061055 -0.03605686 0.03539019
7.73616503 12.54327876 5.28178423
-0.00016065 -0.00023034 -0.00002175
0.02798556 0.01843219 -0.02932136
21.47907464 -11.90616876 -9.47533780
-0.00067723 0.00015288 0.00030968
0.00262191 -0.01353633 0.00511718
19.74839155 -5.85443836 -0.92379530
-0.00018807 0.00019945 0.00043709
-0.02774950 -0.00174277 -0.02866857
14.96036498 8.01877068 8.89644599
0.00042256 0.00003552 0.00021828
0.00097692 0.00372771 0.00731043
3.83912758 -13.77258067 16.36756644
-0.00005391 -0.00002954 -0.00003960
-0.00061278 0.02011987 -0.00320339
-2.60092173 -2.30082643 -13.59608632
0.00003211 0.00020478 0.00024313
0.03073818 0.01878168 -0.01418948
15.50459068 -7.40776056 -13.16667309
0.00002430 -0.00012027 -0.00000515
0.00916661 -0.00573844 -0.00644875
9.81897084 -3.78846082 6.61243040
0.00002655 -0.00012890 -0.00033217
-0.02204420 0.00069256 -0.03055368
-19.39644325 1.42336771 24.83514433
-0.00002739 0.00003918 -0.00005669
-0.04150721 -0.03850358 0.00706188
24.11709083 -1.08149935 -7.36381097
-0.00028764 0.00023214 0.00014450
0.01353178 -0.03079884 -0.02808993
11.63671535 -10.38651207 -11.35894667
0.00005604 0.00032310 0.00002296
-0.00091400 0.00438063 0.01477205
-8.91781763 -10.69274853 16.36362608
-0.00009204 0.00015508 -0.00033958
-0.00365675 0.00249888 0.01135118
7.02788935 1.59224485 -27.92971057
0.00038292 0.00000694 -0.00004631
-0.03197371 -0.00776562 0.02004402
12.62092672 18.58123677 12.81128743
-0.00000807 -0.00029853 -0.00026865
0.00036802 0.00601568 0.01299436
26.02760832 7.55195526 -11.07600484
0.00000587 -0.00001856 0.00010505
0.02696109 0.00082218 0.00806360
5.10351816 -29.90125430 -4.88362492
-0.00021389 0.00016686 0.00005468
-0.00222384 0.00540024 0.00626817
3.96067223 -29.95666803 -2.15145464
-0.00046046 -0.00031149 -0.00001839
-0.00514099 0.01350885 0.02053902
-9.92612184 2.42981371 -8.69368646
-0.00039464 0.00055392 0.00011010
-0.03648325 -0.00579541 -0.01542318
-11.81062569 2.55083008 -11.08005437
-0.00001603 -0.00000025 0.00032621
0.00279856 0.00310242 0.00348562
-36.73504623 3.22421974 2.97963311
0.00061172 -0.00095871 0.00052743
-0.00231799 -0.01302837 -0.00952621
-37.64873362 0.43379921 3.85204314
-0.00099732 0.00002095 -0.00022347
0.01884668 0.02126271 -0.01655719
-8.68236811 -4.01872951 1.45221151
-0.00036728 0.00069193 0.00081551
-0.01823137 -0.00590242 -0.01056259
-6.39027589 -4.95815918 2.84448000
-0.00026262 -0.00031810 0.00017371
0.00023776 -0.00144356 0.00200591
2.90148304 -0.08552411 7.40117090
0.00048902 0.00004647 -0.00066438
0.01230908 -0.00269458 -0.02644104
1.62276626 1.80192681 9.26785259
-0.00016882 -0.00037529 -0.00027941
0.00199379 -0.02723286 -0.00109052
-29.86629005 0.10296879 2.81078982
-0.00031258 0.00042675 0.00058591
-0.02614697 0.00589493 -0.00417012
-32.77700935 0.98903749 2.76310577
0.00067691 0.00019092 -0.00000119
-0.03111122 -0.01760024 0.00604565
15.75118402 11.70032697 -18.47015237
-0.00067584 -0.00154454 -0.00036767
-0.00081323 0.00351341 0.00187040
18.44825563 12.43029524 -17.42295529
0.00015041 0.00043413 -0.00073388
-0.03638282 0.01316446 -0.01244475
-2.91298964 6.70700016 6.15914330
0.00022339 -0.00033161 -0.00025880
-0.00011292 0.00610459 0.00653109
-2.83900947 5.15638015 3.74940763
0.00024410 -0.00023921 0.00082129
-0.00695720 -0.00398026 0.01989716
6.13866164 16.44917379 -8.84715174
0.00099442 -0.00052470 -0.00036760
-0.00120033 0.01087117 0.03232849
7.03439401 18.14105966 -6.63249096
-0.00081955 -0.00078045 0.00103429
0.03384409 0.02397212 0.01175486
7.79496546 5.32224855 -22.51145936
0.00054394 0.00130381 0.00029204
-0.00674219 -0.01771217 -0.04284918
8.64206715 6.94763195 -20.70462244
-0.00001545 0.00018360 -0.00046692
-0.00530366 0.00885094 0.02461842
19.32984634 21.20423184 -4.29523366
-0.00018371 0.00023903 -0.00061756
-0.02573104 -0.03439363 -0.00532002
19.44355475 19.73269836 -6.74962541
0.00049439 0.00047359 -0.00034908
0.00482335 -0.00762225 -0.00879584
1.41713046 12.38155521 -20.78644433
-0.00046738 0.00025944 -0.00118094
-0.00647760 -0.01408050 -0.00269588
0.70871133 14.88282303 -22.27669543
0.00039048 -0.00016855 -0.00019923
-0.01327372 -0.00830278 0.00878835
9.98269568 -7.00008101 -0.01129596
-0.00075159 -0.00007354 0.00124758
0.00523853 0.00656235 -0.00353543
9.39598837 -4.07345255 -0.64492536
-0.00032523 -0.00042235 0.00112872
0.02466467 -0.02274939 0.02581697
-18.22756070 -5.42076757 6.69009889
-0.00020347 -0.00081258 -0.00069627
-0.00295832 -0.01014733 0.01594459
-18.74929803 -5.04876354 3.92774387
-0.00002160 0.00029981 0.00055347
-0.00025050 0.00056200 -0.00414698
-14.41470753 -0.06399791 19.24601357
-0.00036804 0.00068846 -0.00033085
0.00093500 -0.02621444 0.01589187
-14.42499726 -0.28063423 22.16421275
-0.00066381 0.00036580 -0.00040640
0.00086247 -0.00119647 0.00722404
1.08227626 2.71402097 -2.60490817
-0.00045186 -0.00051627 -0.00010648
0.00276787 0.00412627 -0.00292948
1.99539743 2.49406819 -5.32563448
-0.00040943 0.00143130 -0.00097707
-0.00462765 0.00536559 0.00638495
21.37446144 -10.52880533 -6.35091663
-0.00089435 0.00042521 0.00101227
0.01176008 0.00610988 0.01984664
22.74173517 -9.96658855 -3.43917823
0.00003208 -0.00031763 -0.00055127
-0.03278028 -0.01246085 -0.04420463
4.66762806 -10.40159543 6.88896895
0.00095408 0.00023463 -0.00092526
0.01265750 0.00200808 -0.01216286
3.40359332 -11.68615872 9.08598638
0.00007664 0.00034943 0.00052758
-0.00621698 0.00476517 -0.00188248
-2.07180490 -3.36735468 -20.76597836
0.00026890 -0.00076545 0.00004888
0.00286140 0.01791727 0.01289450
-3.18440595 -2.03031230 -18.47408217
0.00080017 -0.00029643 0.00064041
-0.01658862 -0.00056154 0.02095959
0.81978062 4.84670588 -10.38589597
0.00056107 -0.00045000 -0.00118891
0.00514689 0.00983308 0.01300007
-1.26870856 3.27207809 -8.99659701
0.00119033 -0.00014275 -0.00039366
-0.02078320 -0.00746734 0.06610423
-3.98988272 15.64293591 15.56522256
-0.00058822 0.00079225 0.00046578
0.02327756 0.02040594 0.02859508
-6.66729334 15.10701334 14.85053324
-0.00027282 0.00042048 -0.00078540
-0.01473581 0.00018510 0.00435226
-6.67268275 2.07447645 -6.10943909
0.00016994 0.00016849 0.00090630
0.00192731 -0.00415391 0.00082487
-4.87947270 1.51165822 -8.36009033
-0.00037446 0.00046733 -0.00053600
-0.00318220 -0.01377063 -0.01646157
-9.91993184 -0.75650715 -3.82843284
0.00012368 0.00056463 0.00004434
-0.01227181 -0.00734302 0.01355789
-9.67693150 2.24907289 -2.77327939
-0.00011832 -0.00066798 -0.00055052
0.00231682 -0.02041145 -0.01286739
3.33314347 28.97313020 4.84221017
0.00041289 -0.00043903 0.00060356
-0.00071873 0.00062753 0.00766027
3.12010464 27.65305527 7.51261263
-0.00029290 0.00058315 -0.00014983
0.01329488 0.02018134 0.06415260
8.03822076 -11.00926702 -1.11117534
0.00033313 -0.00048964 -0.00112458
0.01891389 0.00536974 -0.00884014
10.71747751 -11.32473647 0.06065476
-0.00013029 -0.00098745 -0.00051274
0.00284080 -0.00701937 0.00790124
-5.46261035 -0.17819122 8.67973026
0.00059843 -0.00032518 -0.00013239
-0.00265323 0.02561327 0.01283042
-8.18981670 -0.03932472 9.02362466
-0.00073055 0.00006901 -0.00003852
-0.01790307 0.00155693 0.00565555
20.33659869 10.87704908 8.82439449
-0.00066276 -0.00055534 0.00006601
-0.01424136 -0.00322846 -0.03446579
22.16910519 10.78999883 6.66418516
0.00066319 -0.00042196 0.00010440
-0.04655904 0.00596464 -0.00173624
-2.90330741 -0.15822444 -22.60933902
-0.00046854 0.00063327 -0.00078572
-0.00081778 -0.01723425 0.03315991
-4.92393416 1.45966540 -24.09230075
0.00153665 0.00007095 0.00041122
0.03400692 -0.01129536 0.00474922
-12.40748971 9.98252149 9.56776636
0.00056479 0.00030353 -0.00002217
-0.01053177 -0.01779595 -0.00039977
-13.49247311 9.40751871 7.02685273
-0.00041429 -0.00061754 0.00044845
-0.00825257 -0.00033306 -0.00391850
-14.77242137 4.87277303 -4.38942217
-0.00057184 0.00029949 0.00013416
0.01196066 0.00691619 -0.00145654
-13.65058814 7.67829925 -4.24598655
0.00027474 -0.00111181 -0.00059037
-0.00467911 -0.01575417 0.00628100
-4.26555794 -15.71966551 20.41225087
-0.00088538 -0.00067110 0.00034642
-0.00019687 -0.00355216 0.00123437
-1.75924627 -16.76897460 19.43535296
-0.00072424 0.00003942 -0.00029277
-0.00450946 0.01326343 0.00711884
-5.41878043 6.16749959 -7.53412553
-0.00074850 0.00031014 0.00026265
-0.00684751 -0.01735305 0.00706247
-7.40268479 8.32890495 -6.88212783
0.00018150 -0.00018221 0.00060072
-0.00351976 -0.00001247 0.00455118
-20.92892342 28.96947311 0.95472280
0.00040301 -0.00004442 0.00065624
0.02286094 0.02243166 -0.00756181
-18.04014064 29.52364190 0.33348643
0.00029933 0.00039519 -0.00082157
-0.00892792 -0.00071149 0.00882564
9.25508687 2.82324894 6.64472106
-0.00054185 -0.00043117 -0.00028400
-0.01826469 -0.03126125 -0.03883567
9.17052664 5.43241299 7.76278594
0.00050867 0.00010179 0.00061615
-0.01401752 0.04285738 0.00460035
7.70832689 17.74269993 -12.32198416
-0.00033055 -0.00019536 0.00014355
0.00859987 -0.00182089 -0.00209445
8.39947849 14.93733749 -12.26758797
-0.00003057 0.00006936 -0.00038067
0.01469117 -0.01302835 -0.00572783
12.10465344 5.98436163 -1.13848488
0.00115086 -0.00035578 -0.00044331
0.00905716 -0.00587674 0.00024293
13.62503982 3.80868851 0.25439671
0.00003327 -0.00082128 0.00036023
-0.00433069 0.00399167 0.00480033
-4.49138593 10.59103160 -1.87175547
-0.00029095 -0.00142494 0.00042451
-0.00844168 0.01755950 -0.00893290
-7.05312040 10.72668540 -0.54178950
0.00069298 -0.00022504 0.00048290
0.01160556 0.02048464 -0.02264669
7.43969494 14.37373692 4.97432539
0.00009217 0.00089419 0.00046140
0.00822519 -0.02567329 0.00113308
9.28740697 11.99111431 4.21838724
-0.00024876 -0.00004485 0.00093417
-0.03547634 0.01352216 0.02340472
20.23055016 -13.11631953 -8.75929772
-0.00021398 0.00062780 -0.00029897
0.01607286 0.01289483 -0.00871831
23.22281976 -12.56267805 -9.23251804
0.00020334 -0.00063588 -0.00118195
-0.03024759 0.00405104 -0.00257741
19.74019460 -4.95740850 -2.58257099
-0.00069553 -0.00006764 0.00013865
0.00248694 -0.00220087 0.01517620
18.18254371 -6.90478315 -1.16879795
0.00027602 -0.00020866 0.00057176
0.02617519 0.00669735 0.01272183
13.97251795 9.52767407 9.16031955
-0.00003178 -0.00059905 0.00072429
-0.00441453 -0.00182354 -0.00716603
15.29754892 7.63698038 10.65699423
0.00080401 -0.00026399 0.00083747
0.00735143 -0.00622590 0.00575139
3.00412162 -14.94442695 17.41431847
0.00044931 0.00020040 -0.00026494
-0.00964444 -0.04107393 0.00856550
3.15401548 -12.33764892 17.28870611
-0.00030039 -0.00002429 -0.00010339
0.01175204 0.01621211 -0.01250200
-2.65227533 -3.72398357 -12.52232303
-0.00029966 0.00012185 -0.00014757
-0.00408227 -0.01859621 0.01022969
-0.74093072 -1.86697632 -13.72855691
0.00007900 -0.00054117 -0.00125151
-0.03031411 0.00045890 0.00460746
15.87979858 -7.44174112 -15.02186529
-0.00072251 0.00003414 0.00007598
0.00151559 -0.01016485 0.02209231
16.84734625 -8.30315262 -12.22168500
0.00006758 0.00060925 -0.00055647
-0.01320782 0.01346934 -0.01545281
8.11126204 -3.41524072 5.85310743
0.00097076 0.00075117 -0.00011908
0.02895339 -0.00904074 0.01122038
10.73458123 -4.56971687 5.18467661
0.00131847 -0.00068058 0.00007611
-0.00678816 0.01189694 0.01343837
-20.95760377 0.38601349 25.27973629
0.00024633 -0.00111402 -0.00014349
0.03191165 0.01578025 -0.01911073
-19.52912881 2.73380864 26.08424485
-0.00070424 -0.00039181 0.00012348
0.00440452 0.01710248 0.00703492
25.19974834 -2.68145052 -7.53797572
-0.00047265 0.00030594 -0.00064330
-0.01551479 0.02715820 0.01259092
23.54567994 -0.87585526 -9.13280977
0.00040630 0.00023299 -0.00032556
0.00948035 0.00474739 0.01735106
11.97647067 -10.43396408 -9.53492579
0.00045827 -0.00132089 -0.00068713
0.00283004 0.00092972 -0.00587916
12.93665163 -9.35007440 -12.15166101
-0.00000516 0.00080563 -0.00049613
0.00525113 0.01133541 0.00042195
-7.33495786 -10.77683788 17.40286862
-0.00116360 -0.00001267 -0.00051638
-0.01623239 0.00549669 -0.00976671
-10.15315404 -10.29989648 17.69652203
0.00034712 0.00125609 0.00015573
0.00328908 -0.00625585 -0.01070173
8.11745569 1.32458886 -29.34557148
-0.00001074 -0.00084520 -0.00008613
0.02225742 0.00562357 -0.02062434
5.41462583 0.81680713 -28.37550372
-0.00028821 0.00008068 -0.00030062
0.00670478 0.00309079 0.00036315
14.02648487 19.34888155 13.71130541
-0.00080556 -0.00053879 -0.00061417
-0.00616651 -0.00510561 -0.00841940
13.31228592 17.73642436 11.36765658
0.00083329 0.00038485 0.00080208
0.00740181 -0.00380946 -0.00410866
27.85391849 7.80061611 -11.52316574
0.00045252 0.00021481 -0.00003715
-0.01704903 -0.00349187 -0.00414880
26.11285714 7.64639733 -9.21489113
0.00043521 0.00012157 -0.00040944
-0.00033933 0.00021032 -0.00149735
-7.83013750 4.72679340 6.15762104
0.00010609 0.00001893 0.00011646
-0.00244850 -0.00374886 0.00306021
-10.30172289 9.12418883 3.05443783
0.00028416 -0.00010804 0.00024171
0.00864553 -0.00253454 0.00715470
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.07573761
0.28386837
378.24037749
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0598110465
ExchangeOperator: pair fraction: ispin=0: 0.1493347756
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3261008019 (a.u.)
total exchange computation time: 2.9880859852 s
-153.9293043600
-931.35991437
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0598110465
ExchangeOperator: pair fraction: ispin=0: 0.1493347756
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3261492394 (a.u.)
total exchange computation time: 2.9850339890 s
-153.9300802986
Anderson extrapolation: theta=1.3447830804 (1.3447830804)
-931.36015278
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0598110465
ExchangeOperator: pair fraction: ispin=0: 0.1493347756
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3261619775 (a.u.)
total exchange computation time: 2.9864029884 s
-153.9315250816
Anderson extrapolation: theta=0.0505273869 (0.0505273869)
-931.36029535
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0598110465
ExchangeOperator: pair fraction: ispin=0: 0.1493347756
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3261175426 (a.u.)
total exchange computation time: 2.9863870144 s
-153.9319846453
Anderson extrapolation: theta=1.8933291441 (1.8933291441)
-931.36030071
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0598110465
ExchangeOperator: pair fraction: ispin=0: 0.1493347756
ExchangeOperator: bisection time: 1.427 s
total exchange = -52.3260178858 (a.u.)
total exchange computation time: 2.9861960411 s
-153.9329404823
Anderson extrapolation: theta=0.2193062535 (0.2193062535)
-931.36030643
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0598110465
ExchangeOperator: pair fraction: ispin=0: 0.1493347756
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.3259923469 (a.u.)
total exchange computation time: 2.9891228676 s
-153.9331428057
Anderson extrapolation: theta=1.8987246425 (1.8987246425)
-931.36030756
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0598110465
ExchangeOperator: pair fraction: ispin=0: 0.1493347756
ExchangeOperator: bisection time: 1.422 s
total exchange = -52.3259579503 (a.u.)
total exchange computation time: 2.9860820770 s
-153.9333831944
Anderson extrapolation: theta=0.2870468816 (0.2870468816)
-931.36030905
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0598110465
ExchangeOperator: pair fraction: ispin=0: 0.1493347756
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3259622112 (a.u.)
total exchange computation time: 2.9857008457 s
-153.9333160039
Anderson extrapolation: theta=1.3212490020 (1.3212490020)
-931.36030941
65.498588 27.174420 -167.094477
561.299153 1074.457508 -406.926917
626.797741 1101.631928 -574.021394
1391.390985
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0598110465
ExchangeOperator: pair fraction: ispin=0: 0.1493347756
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.3259778181 (a.u.)
total exchange computation time: 2.9865481853 s
678.10285476
-1082.43738580
89.89391689
-389.92286109
-174.67085662
77.51742922
551.60419304
0.00000000
-931.36030968
4.55353806 -30.97869663 -3.48252123
-0.00003539 -0.00027792 0.00002329
0.00969916 -0.02088713 -0.02412646
-11.69882702 2.12853955 -9.28514576
0.00036001 0.00011012 0.00019883
0.02620278 0.00355773 0.00933500
-36.19684662 1.42095408 3.14388846
0.00008137 0.00029117 0.00010570
-0.02065519 -0.02653746 0.02575177
-7.42492000 -3.46809828 2.63474847
0.00014051 0.00004892 0.00000796
0.02049544 0.00182806 0.01417240
2.25099153 0.03859384 9.05099602
-0.00007993 -0.00017079 0.00028369
-0.01354768 0.01815982 0.01553993
-31.09221075 1.51303528 2.58373043
-0.00012122 0.00021454 -0.00014190
0.06268419 0.01610864 0.00166183
16.83939728 13.16432107 -18.29091817
-0.00003081 0.00005683 -0.00037444
0.02480664 -0.01785101 0.01613128
-3.44931837 5.08539859 5.50999229
-0.00001744 -0.00013780 -0.00022934
0.00622398 0.00024564 -0.02505035
5.70978188 17.05801746 -7.01293989
-0.00016498 0.00001413 -0.00012790
-0.03676003 -0.03731073 -0.04848725
7.23403980 5.75900323 -20.86755426
-0.00002794 0.00007691 0.00026487
0.01104316 0.02213295 0.02092171
18.60059720 19.57857354 -5.15703454
-0.00001650 -0.00015305 -0.00003087
0.02424689 0.03705759 0.01083568
1.95555857 14.03834327 -21.23510948
0.00006151 0.00033881 -0.00006778
0.01809927 0.02510182 0.00270323
10.51949710 -5.29156897 0.43596193
0.00019998 0.00006792 -0.00005955
-0.02908221 0.01544326 -0.02271055
-17.88354071 -4.28293105 5.34776127
0.00062048 -0.00041741 -0.00001567
0.00562595 0.00730112 -0.00907098
-14.29376281 -1.34752717 20.68577741
-0.00004370 -0.00001717 0.00021832
-0.00276875 0.02589823 -0.03042981
1.60138498 3.74876440 -4.03441313
0.00003979 -0.00013105 -0.00017824
-0.00127648 -0.01061588 0.00296008
21.24096723 -10.60469343 -4.48455646
-0.00001526 0.00011029 -0.00004098
0.01933332 0.01149662 0.03299207
3.06922735 -10.47721953 7.72663348
-0.00005025 -0.00023559 -0.00024982
-0.00020095 -0.00820062 0.00711053
-1.94736915 -1.76975304 -19.72528187
-0.00018905 0.00005055 -0.00040227
0.01569776 -0.02490331 -0.03298518
-0.57014995 3.70450682 -10.49426371
-0.00047759 0.00027334 -0.00012352
0.02354055 0.00879740 -0.08551938
-4.96089919 14.72326546 14.44242562
0.00010462 0.00010083 -0.00020688
-0.00700259 -0.01864826 -0.03254662
-5.32485140 2.76989793 -7.17548317
0.00020148 0.00005849 0.00025067
-0.00416811 0.01166648 0.01789702
-9.24600369 0.88832083 -4.02038223
0.00004713 0.00023256 0.00008403
0.02239568 0.02611064 -0.01436969
2.87153310 27.49633989 5.82337020
-0.00005643 0.00000283 -0.00013406
-0.01176996 -0.01585280 -0.06526077
9.85545957 -10.84234097 -1.47717176
-0.00045134 -0.00002109 0.00013959
-0.02299211 0.01228019 -0.01424299
-6.77526537 1.05934548 9.28898795
0.00000146 0.00007321 0.00000888
0.02013858 -0.03142098 -0.01986102
20.18280884 10.78873241 6.90064585
-0.00023124 -0.00010378 -0.00003835
0.07145072 -0.00566268 0.03699424
-3.07890898 1.05101900 -23.90170146
-0.00014867 -0.00012933 -0.00013070
-0.02378833 0.03579033 -0.04255578
-13.57395788 8.72361403 8.71287930
0.00023905 -0.00021866 0.00014364
0.00570126 0.00643712 0.01172935
-13.61644292 5.99792521 -3.47262050
-0.00018724 -0.00011475 -0.00032111
-0.00286950 0.00171853 -0.00560747
-2.46850610 -15.44845163 20.53118049
-0.00020869 -0.00009168 0.00000622
-0.00856707 -0.01044403 -0.00329910
-5.97363781 7.84939944 -7.89501858
0.00018392 0.00041831 0.00010541
0.01003494 0.01613107 -0.01778867
-19.60801760 30.31209539 0.89838985
0.00018135 -0.00024868 -0.00011967
-0.01678242 -0.01554727 0.00381696
9.85080683 3.81720488 7.94253219
0.00006912 0.00002249 -0.00002168
0.03578986 -0.02190178 0.03060569
7.26833044 16.14486590 -11.58420513
0.00004776 0.00028964 0.00010756
-0.02410572 0.00503947 0.00827982
13.55723889 4.87101834 -1.26146618
-0.00041681 -0.00030150 -0.00006368
0.00945354 -0.00542675 0.00051505
-6.05339149 11.64452229 -1.87455238
0.00010443 0.00036347 0.00046335
0.01395674 -0.03975713 0.03542519
7.73386322 12.53989483 5.28134487
-0.00014717 -0.00021917 -0.00003641
0.02444316 0.02496988 -0.02767165
21.46892626 -11.90392772 -9.47067285
-0.00067361 0.00014644 0.00031165
0.01145452 -0.01154020 0.00254713
19.74546350 -5.85145332 -0.91734955
-0.00020206 0.00019873 0.00042218
-0.02665190 -0.00104330 -0.02930457
14.96670716 8.01931785 8.89974845
0.00042351 0.00003676 0.00022331
0.00270980 0.00108579 0.01225315
3.83831653 -13.77294620 16.36696003
-0.00005379 -0.00001841 -0.00004177
0.00107669 0.02315780 -0.00521541
-2.60032157 -2.29768222 -13.59249407
0.00004773 0.00021461 0.00023549
0.03002915 0.01942925 -0.01552995
15.50499057 -7.40958679 -13.16677524
0.00002806 -0.00012264 -0.00000865
0.00545801 -0.00344637 -0.00716514
9.81928408 -3.79039167 6.60732995
0.00001692 -0.00012911 -0.00034774
-0.01539381 -0.00151462 -0.02998092
-19.39701418 1.42380693 24.83432118
-0.00004891 0.00001889 -0.00005307
-0.04218610 -0.04039646 0.00703259
24.11282845 -1.07813607 -7.36175189
-0.00028082 0.00021641 0.00012948
0.01300025 -0.03036741 -0.03030118
11.63755245 -10.38164865 -11.35854526
0.00005576 0.00032562 0.00002904
-0.00019319 0.00542213 0.00886804
-8.91921240 -10.69041271 16.35857614
-0.00009541 0.00015660 -0.00033381
-0.00942411 0.00342172 0.01110178
7.03350983 1.59231901 -27.93032786
0.00036545 0.00000246 -0.00003631
-0.03598104 -0.00967603 0.01882805
12.62080715 18.57678208 12.80730773
-0.00000955 -0.00029538 -0.00026156
-0.00614330 0.00620438 0.01461092
26.02780030 7.55168008 -11.07439806
0.00002037 -0.00001805 0.00010825
0.02943517 0.00116273 0.00441290
5.10024168 -29.89858588 -4.88261261
-0.00022365 0.00018733 0.00008151
-0.00255568 0.00462011 0.00686440
3.95360783 -29.96092639 -2.15110104
-0.00048072 -0.00025789 0.00006398
-0.00477875 0.01272997 0.01978000
-9.93315936 2.43794497 -8.69250753
-0.00053499 0.00053136 0.00004978
-0.03222016 -0.00524764 -0.01410607
-11.81078036 2.55092140 -11.07505443
-0.00000434 0.00001293 0.00033859
0.00292401 0.00334687 0.00257367
-36.72594147 3.20943990 2.98725264
0.00059753 -0.00099664 0.00048729
-0.00462547 -0.00553755 -0.01012453
-37.66311584 0.43476495 3.84818378
-0.00091268 0.00011274 -0.00029464
0.02258292 0.02367321 -0.01828062
-8.68843591 -4.00853145 1.46412055
-0.00044464 0.00066562 0.00076893
-0.01963779 -0.00697653 -0.01224202
-6.39420789 -4.96297490 2.84714714
-0.00026284 -0.00032287 0.00018102
-0.00034453 -0.00089273 0.00157191
2.90919555 -0.08490970 7.39039494
0.00053197 0.00003655 -0.00075296
0.00871382 -0.00215885 -0.01691838
1.62029510 1.79546300 9.26362809
-0.00016196 -0.00048303 -0.00028298
0.00136309 -0.02550856 -0.00066045
-29.87178001 0.10955068 2.81945074
-0.00041650 0.00044895 0.00056870
-0.02471992 0.00497127 -0.00425434
-32.76780902 0.99136195 2.76327313
0.00053756 0.00011583 0.00002461
-0.03710134 -0.01915506 0.00658550
15.74102153 11.67726653 -18.47561007
-0.00066481 -0.00151107 -0.00035738
0.00620942 0.01287221 0.00316592
18.44939690 12.43721053 -17.43434487
0.00000256 0.00048663 -0.00078372
-0.03599060 0.01253560 -0.01195345
-2.90964225 6.70221308 6.15546150
0.00022294 -0.00030522 -0.00023070
-0.00010511 0.00681358 0.00722091
-2.83556111 5.15267008 3.76233675
0.00021958 -0.00025576 0.00088972
-0.00504918 -0.00412472 0.01359974
6.15354110 16.44163642 -8.85167517
0.00098812 -0.00047781 -0.00023195
-0.00188228 0.01208422 0.03407467
7.02313784 18.13008743 -6.61661642
-0.00067110 -0.00067441 0.00108584
0.03882415 0.02793652 0.01347948
7.80291792 5.34126296 -22.50839174
0.00051529 0.00122880 0.00011445
-0.00727931 -0.01900471 -0.04408573
8.64167284 6.95065717 -20.71087187
-0.00003742 0.00022055 -0.00036346
-0.00544726 0.00923824 0.02602762
19.32630224 21.20676332 -4.30466010
-0.00028885 0.00009802 -0.00063774
-0.02573560 -0.03463014 -0.00455775
19.45111834 19.73956869 -6.75513111
0.00050945 0.00044074 -0.00037712
0.00255174 -0.00846109 -0.00493202
1.40992131 12.38501533 -20.80424105
-0.00049270 0.00020096 -0.00119105
-0.00591747 -0.01454399 -0.00225064
0.71416184 14.88004029 -22.27941455
0.00033309 -0.00019819 -0.00016694
-0.01481947 -0.00620536 0.00701642
9.97158235 -7.00098307 0.00730938
-0.00072945 -0.00004561 0.00123314
0.00559882 0.00711255 -0.00353005
9.39186571 -4.08048486 -0.62720345
-0.00022679 -0.00051182 0.00123007
0.02352179 -0.02104678 0.02379390
-18.23070334 -5.43326725 6.68014348
-0.00021511 -0.00085413 -0.00062883
-0.00274071 -0.01018801 0.01706751
-18.74962969 -5.04424917 3.93591878
-0.00002539 0.00030036 0.00052966
-0.00160440 -0.00029164 -0.00750790
-14.42019948 -0.05447428 19.24153779
-0.00036349 0.00057538 -0.00026090
0.00129222 -0.02913970 0.01834991
-14.43492794 -0.27518386 22.15833818
-0.00066031 0.00036210 -0.00037385
0.00084759 -0.00061523 0.00870554
1.07558321 2.70640329 -2.60659508
-0.00043832 -0.00049696 -0.00012468
0.00385752 0.00532912 -0.00597928
1.98911414 2.51570214 -5.34009482
-0.00042675 0.00144607 -0.00095513
-0.00384991 0.00186423 0.00435185
21.36140656 -10.52223997 -6.33512442
-0.00084450 0.00045056 0.00107850
0.01263987 0.00630124 0.01257524
22.74121188 -9.97173480 -3.44880187
-0.00009875 -0.00036654 -0.00072921
-0.03126194 -0.01148218 -0.04289967
4.68232709 -10.39801443 6.87471730
0.00098848 0.00024071 -0.00096480
0.00418370 0.00096645 -0.00719321
3.40455243 -11.68077125 9.09384244
0.00005187 0.00037077 0.00051665
-0.00590947 0.00568250 -0.00346782
-2.06768368 -3.37828736 -20.76485009
0.00027981 -0.00068849 0.00010289
0.00247789 0.01975278 0.01354556
-3.17291169 -2.03477601 -18.46383382
0.00073457 -0.00029869 0.00072403
-0.01552186 -0.00054213 0.01997707
0.82835440 4.84025722 -10.40333122
0.00057817 -0.00041334 -0.00113563
0.00322242 0.00811200 0.01307894
-1.25149054 3.26970808 -9.00047624
0.00110074 -0.00017819 -0.00010805
-0.02307129 -0.00988175 0.07370157
-3.99799275 15.65544492 15.57308557
-0.00049860 0.00087066 0.00057621
0.02059526 0.01797592 0.02546039
-6.67183720 15.11332614 14.83888562
-0.00032811 0.00041961 -0.00076932
-0.01232693 -0.00060950 0.00351951
-6.67007456 2.07687646 -6.09581938
0.00018130 0.00015243 0.00090570
0.00363288 -0.00370725 -0.00111490
-4.88518705 1.51824620 -8.36863481
-0.00038887 0.00041262 -0.00060159
-0.00387324 -0.01300885 -0.01564428
-9.91845267 -0.74826278 -3.82735224
0.00007147 0.00052909 0.00009991
-0.01328769 -0.01005303 0.01364155
-9.67863536 2.23842765 -2.78193148
-0.00011180 -0.00074278 -0.00059521
0.00087516 -0.01619897 -0.00900747
3.33931478 28.96656392 4.85149824
0.00041225 -0.00042897 0.00062836
0.00040411 0.00429936 0.00447963
3.11611853 27.66242092 7.51233104
-0.00023968 0.00066460 0.00010964
0.01275782 0.01968907 0.06285887
8.04379733 -11.01644701 -1.12831490
0.00039740 -0.00046904 -0.00115667
0.01254638 0.00471319 -0.00686911
10.71561014 -11.33976332 0.05320584
-0.00011904 -0.00101643 -0.00047870
0.00266700 -0.00716443 0.00876008
-5.45371517 -0.18228410 8.67813762
0.00058076 -0.00021639 -0.00007765
-0.00599887 0.02764115 0.01396137
-8.20132349 -0.03824184 9.02322012
-0.00079436 0.00008062 -0.00001443
-0.01333463 0.00412778 0.00613626
20.32622083 10.86862004 8.82432857
-0.00072003 -0.00056813 -0.00007499
-0.01379197 -0.00303005 -0.03455896
22.17762638 10.78385222 6.66569797
0.00046714 -0.00039693 0.00009874
-0.04940958 0.00628628 -0.00103659
-2.91036060 -0.14925354 -22.62010872
-0.00046910 0.00055039 -0.00063761
0.00054229 -0.02333713 0.03934253
-4.89984236 1.46038346 -24.08598690
0.00165497 0.00002996 0.00042769
0.02391331 -0.00876741 0.00330994
-12.39934052 9.98652906 9.56742154
0.00051967 0.00022863 -0.00002540
-0.01155647 -0.01886837 -0.00118096
-13.49894040 9.39824538 7.03345943
-0.00044754 -0.00061627 0.00042567
-0.00802366 0.00095295 -0.00723096
-14.78063240 4.87747731 -4.38745440
-0.00052453 0.00032521 0.00012703
0.01119475 0.00567305 -0.00203222
-13.64661037 7.66113941 -4.25464965
0.00025571 -0.00116453 -0.00056943
-0.00464034 -0.01005238 0.00396983
-4.27884461 -15.72984085 20.41748506
-0.00087529 -0.00068355 0.00035251
0.00513545 -0.00254020 0.00174444
-1.77024811 -16.76797690 19.43117953
-0.00074085 0.00009229 -0.00026488
-0.00361785 0.01261804 0.00653585
-5.43021783 6.17161997 -7.52996940
-0.00077382 0.00023668 0.00029081
-0.00554467 -0.01860750 0.00672112
-7.40007010 8.32617135 -6.87297756
0.00016850 -0.00018144 0.00061718
-0.00284493 0.00038965 0.00350725
-20.92217768 28.96949423 0.96433466
0.00049430 0.00004368 0.00062462
0.02182222 0.02069154 -0.00791471
-18.03592428 29.52954799 0.32143330
0.00026175 0.00039147 -0.00078486
-0.00946571 -0.00110824 0.00914700
9.24639947 2.81582352 6.63927097
-0.00061169 -0.00054843 -0.00043093
-0.01592246 -0.02614066 -0.03308626
9.17772714 5.43525309 7.77216909
0.00045036 0.00027795 0.00063391
-0.01452366 0.04337711 0.00409638
7.70363220 17.73971370 -12.31989508
-0.00029349 -0.00019476 0.00013165
0.00954012 0.00211621 -0.00372956
8.39947017 14.93797870 -12.27347348
0.00002569 0.00001995 -0.00040160
0.01284511 -0.01116026 -0.00451818
12.12219384 5.97884488 -1.14512713
0.00117134 -0.00036797 -0.00043969
0.00096961 -0.00009091 0.00152957
13.62540619 3.79649162 0.25994724
0.00001397 -0.00079931 0.00037245
-0.00511646 0.00676214 0.00118124
-4.49600885 10.57019557 -1.86566158
-0.00033026 -0.00134698 0.00038630
-0.01080280 0.02060093 -0.00977257
-7.04237009 10.72393756 -0.53523992
0.00073755 -0.00014000 0.00039149
0.01021405 0.02113962 -0.02209866
7.44132957 14.38636308 4.98128110
0.00012762 0.00077795 0.00046739
0.00912888 -0.03122954 0.00180190
9.28258853 11.99085590 4.23311698
-0.00038850 0.00000874 0.00102515
-0.03293158 0.01270888 0.02112957
20.22783302 -13.10650734 -8.76404948
-0.00015532 0.00067235 -0.00032990
0.01264175 0.00890920 -0.00642248
23.22494291 -12.57209218 -9.25032635
0.00006897 -0.00061537 -0.00119257
-0.03552413 0.00599099 -0.00261674
19.72983789 -4.95849053 -2.58002622
-0.00068464 -0.00007663 0.00020196
0.00284433 -0.00220041 0.01581690
18.18748615 -6.90770787 -1.15983167
0.00038023 -0.00018299 0.00062383
0.02483387 0.00587136 0.01276731
13.97190600 9.51863248 9.17096431
-0.00005161 -0.00060331 0.00069532
-0.00529243 -0.00026134 -0.00701513
15.30983430 7.63282982 10.66973250
0.00083208 -0.00028684 0.00085058
0.00639096 -0.00495980 0.00066860
3.01056569 -14.94267965 17.41060691
0.00040619 0.00002722 -0.00022514
-0.01146031 -0.04369448 0.01091472
3.14986978 -12.33751656 17.28677216
-0.00025197 0.00004098 -0.00015511
0.01194724 0.01574284 -0.01281612
-2.65689526 -3.72272573 -12.52422317
-0.00031562 0.00004444 -0.00010469
-0.00373023 -0.01929314 0.01076003
-0.74067457 -1.87507974 -13.74718839
-0.00004440 -0.00053932 -0.00123081
-0.03009431 0.00044315 0.00552421
15.86900734 -7.44154043 -15.02004865
-0.00071491 -0.00000757 0.00016315
0.00220770 -0.01025523 0.02057945
16.84795527 -8.29360115 -12.23050557
0.00001974 0.00065955 -0.00061529
-0.01021373 0.01115312 -0.01333930
8.12671070 -3.40425024 5.85166506
0.00108165 0.00071475 -0.00007849
0.02532496 -0.00878473 0.00865002
10.75415023 -4.57956102 5.18622998
0.00128490 -0.00062815 0.00013537
-0.00964286 0.01376892 0.01557436
-20.95293088 0.36978681 25.27699837
0.00037837 -0.00104707 -0.00022233
0.03272070 0.01698852 -0.01948368
-19.53955743 2.72845550 26.08631256
-0.00068649 -0.00032073 0.00015300
0.00428542 0.01769529 0.00741612
25.19218316 -2.67602926 -7.54723944
-0.00053447 0.00041514 -0.00058999
-0.01474393 0.02629534 0.01350630
23.55206494 -0.87221494 -9.13716154
0.00044444 0.00025316 -0.00025243
0.00919122 0.00512786 0.01844978
11.98343145 -10.45374890 -9.54541284
0.00047171 -0.00131588 -0.00070338
0.00375018 0.00152384 -0.00207863
12.93673514 -9.33764259 -12.15909004
0.00001279 0.00084789 -0.00049055
0.00353614 0.00934992 0.00230923
-7.35290927 -10.77685951 17.39482370
-0.00121809 0.00000904 -0.00055148
-0.01043892 0.00513280 -0.00741879
-10.14784646 -10.28124681 17.69853002
0.00036110 0.00122929 0.00010853
0.00355361 -0.00686440 -0.01240419
8.11797668 1.31208319 -29.34749544
0.00008080 -0.00082197 -0.00016998
0.02254960 0.00574982 -0.02041940
5.41050811 0.81811211 -28.38000191
-0.00025389 0.00009658 -0.00029637
0.01009526 0.00469140 0.00171891
14.01421256 19.34064328 13.70183486
-0.00082099 -0.00055254 -0.00063988
-0.00138823 -0.00162430 -0.00416815
13.32501208 17.74208031 11.37956191
0.00086700 0.00036194 0.00077321
0.00910044 -0.00740413 -0.01002491
27.86018380 7.80373129 -11.52385012
0.00037815 0.00019991 -0.00005376
-0.01935254 -0.00380183 -0.00398301
26.11937483 7.64822731 -9.22107855
0.00043329 0.00012240 -0.00040855
-0.00059806 0.00019626 0.00193068
-7.82855274 4.72706729 6.15937617
0.00010520 0.00001761 0.00011757
-0.00248855 -0.00360459 0.00311716
-10.29744545 9.12256388 3.05807591
0.00028618 -0.00010861 0.00024336
0.00874507 -0.00243834 0.00703388
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.07577253
0.28453716
379.13149825
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0598110465
ExchangeOperator: pair fraction: ispin=0: 0.1493347756
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.3345746977 (a.u.)
total exchange computation time: 2.9868018627 s
-153.9608280286
-931.36128115
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0598110465
ExchangeOperator: pair fraction: ispin=0: 0.1493347756
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3345401447 (a.u.)
total exchange computation time: 2.9869480133 s
-153.9623323877
Anderson extrapolation: theta=1.3429672887 (1.3429672887)
-931.36152277
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0598110465
ExchangeOperator: pair fraction: ispin=0: 0.1493347756
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.3344337347 (a.u.)
total exchange computation time: 2.9872860909 s
-153.9647881180
Anderson extrapolation: theta=0.0500126619 (0.0500126619)
-931.36166700
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0598110465
ExchangeOperator: pair fraction: ispin=0: 0.1493347756
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3343774975 (a.u.)
total exchange computation time: 2.9865880013 s
-153.9653252731
Anderson extrapolation: theta=1.8688553447 (1.8688553447)
-931.36167233
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0598110465
ExchangeOperator: pair fraction: ispin=0: 0.1493347756
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.3342544049 (a.u.)
total exchange computation time: 2.9892001152 s
-153.9664298543
Anderson extrapolation: theta=0.2154507563 (0.2154507563)
-931.36167788
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0598110465
ExchangeOperator: pair fraction: ispin=0: 0.1493347756
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3342225029 (a.u.)
total exchange computation time: 2.9873380661 s
-153.9666719533
Anderson extrapolation: theta=1.8993819206 (1.8993819206)
-931.36167895
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0598110465
ExchangeOperator: pair fraction: ispin=0: 0.1493347756
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3341758589 (a.u.)
total exchange computation time: 2.9876351357 s
-153.9669905759
Anderson extrapolation: theta=0.2859406954 (0.2859406954)
-931.36168036
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0598110465
ExchangeOperator: pair fraction: ispin=0: 0.1493347756
ExchangeOperator: bisection time: 1.427 s
total exchange = -52.3341768753 (a.u.)
total exchange computation time: 2.9865190983 s
-153.9669451355
Anderson extrapolation: theta=1.3182024818 (1.3182024818)
-931.36168069
65.554439 27.127444 -167.090617
561.258024 1074.446306 -406.978562
626.812463 1101.573750 -574.069179
1391.371270
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0598110465
ExchangeOperator: pair fraction: ispin=0: 0.1493347756
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3341887599 (a.u.)
total exchange computation time: 2.9865560532 s
678.22387459
-1082.70788256
89.88827203
-389.73936303
-174.69239322
77.66781745
551.60419304
0.00000000
-931.36168095
4.55304455 -30.98294599 -3.48226500
-0.00003050 -0.00028809 0.00001109
0.00933320 -0.01867970 -0.02328735
-11.69332583 2.13020505 -9.28212733
0.00037212 0.00011166 0.00020337
0.02089775 0.00244816 0.00832984
-36.19570569 1.42521923 3.14557329
0.00007057 0.00027489 0.00011954
-0.02134824 -0.03676713 0.02806001
-7.42273322 -3.46735742 2.63492261
0.00015140 0.00004992 0.00001562
0.02182419 0.00206789 0.01560960
2.24974027 0.03610201 9.05531127
-0.00008568 -0.00016218 0.00028905
-0.00879761 0.01533475 0.00530771
-31.09378728 1.51631546 2.58160828
-0.00008828 0.00022336 -0.00014116
0.06543129 0.01820682 0.00122893
16.83903086 13.16510459 -18.29647248
-0.00001996 0.00004575 -0.00036658
0.01737302 -0.02521966 0.01440763
-3.44955592 5.08333250 5.50645557
-0.00001479 -0.00013775 -0.00024053
0.00405264 -0.00002664 -0.01847374
5.70716536 17.05808542 -7.01504547
-0.00018455 -0.00000593 -0.00015344
-0.03932501 -0.04067357 -0.05082295
7.23366335 5.76024221 -20.86350045
-0.00002195 0.00008842 0.00027511
0.01223448 0.02263538 0.01886853
18.60044330 19.57642075 -5.15745582
-0.00000351 -0.00013393 -0.00002657
0.02624619 0.03728741 0.00587816
1.95655106 14.04352220 -21.23611571
0.00007099 0.00035110 -0.00006599
0.01875397 0.02271315 0.00426144
10.52238468 -5.29049062 0.43498108
0.00018538 0.00007511 -0.00007061
-0.02770310 0.01252732 -0.02029080
-17.87421174 -4.28916399 5.34749119
0.00062359 -0.00041358 -0.00001966
0.00644811 0.00759771 -0.00643394
-14.29442899 -1.34768485 20.68893480
-0.00004522 -0.00000333 0.00020180
-0.00312757 0.02791012 -0.03381390
1.60197696 3.74675769 -4.03707527
0.00003870 -0.00013585 -0.00017541
-0.00296493 -0.00803016 0.00802466
21.24081289 -10.60299472 -4.48504390
-0.00000611 0.00011580 -0.00002247
0.01626602 0.00991374 0.03899037
3.06847290 -10.48078509 7.72291355
-0.00004835 -0.00023975 -0.00024708
0.00757835 -0.00797397 0.00354520
-1.95014430 -1.76909079 -19.73144314
-0.00018133 0.00003740 -0.00041880
0.01431128 -0.02623904 -0.03128634
-0.57722294 3.70864087 -10.49644633
-0.00046483 0.00027871 -0.00016846
0.02605720 0.01208934 -0.08926534
-4.95935686 14.72470602 14.43919688
0.00010119 0.00009234 -0.00022233
-0.00632869 -0.01437518 -0.02752152
-5.32184522 2.77082029 -7.17165409
0.00019911 0.00006407 0.00025998
-0.00505744 0.01003144 0.01829134
-9.24521038 0.89190994 -4.01917718
0.00005918 0.00024516 0.00007548
0.02448769 0.02287723 -0.01887780
2.87064120 27.49632113 5.82110759
-0.00006255 -0.00000611 -0.00016555
-0.01200005 -0.01891283 -0.05719676
9.84860072 -10.84260990 -1.47513287
-0.00046118 -0.00001453 0.00013170
-0.01526035 0.01322422 -0.01642330
-6.77516581 1.06032238 9.28904448
0.00001136 0.00005600 -0.00000167
0.01835718 -0.03547316 -0.02113863
20.17961585 10.78715379 6.90021323
-0.00019407 -0.00010682 -0.00001964
0.07308216 -0.00612092 0.03579054
-3.08123083 1.04921713 -23.90382604
-0.00015815 -0.00011041 -0.00015344
-0.01306934 0.03776203 -0.04589442
-13.57035010 8.72035897 8.71507914
0.00024215 -0.00021542 0.00015068
0.00634955 0.00616168 0.01564658
-13.61926254 5.99621064 -3.47745876
-0.00018846 -0.00011504 -0.00032309
-0.00190229 -0.00284225 -0.00208844
-2.47166949 -15.44986707 20.53126107
-0.00021466 -0.00009704 0.00000463
-0.01463243 -0.01040403 -0.00290340
-5.97084036 7.85573638 -7.89350608
0.00018859 0.00042657 0.00009665
0.00815548 0.01596661 -0.01626177
-19.60536210 30.30830514 0.89660949
0.00017319 -0.00025594 -0.00011772
-0.01494110 -0.01266994 0.00377017
9.85198165 3.81745777 7.94232508
0.00008675 0.00000999 -0.00000759
0.03275524 -0.02673108 0.02416484
7.26895388 16.14922994 -11.58255985
0.00003574 0.00029062 0.00011189
-0.02262950 -0.00123188 0.00855557
13.55102320 4.86647486 -1.26241945
-0.00040952 -0.00030649 -0.00006282
0.01890234 -0.01395243 0.00283845
-6.05177120 11.64982101 -1.86746546
0.00011243 0.00034226 0.00048141
0.01714248 -0.04273164 0.03480249
7.73174998 12.53670353 5.28069202
-0.00013566 -0.00020484 -0.00005005
0.02030938 0.03078491 -0.02537567
21.45886624 -11.90177571 -9.46598825
-0.00066555 0.00014120 0.00031219
0.01990068 -0.00881270 -0.00044216
19.74232984 -5.84847633 -0.91112987
-0.00021534 0.00019842 0.00040706
-0.02499538 -0.00018152 -0.02949349
14.97307024 8.01987340 8.90314543
0.00042534 0.00003666 0.00023083
0.00441261 -0.00147648 0.01695937
3.83751379 -13.77313308 16.36631339
-0.00005297 -0.00000599 -0.00004477
0.00212975 0.02514223 -0.00646342
-2.59948973 -2.29438811 -13.58902163
0.00006282 0.00022455 0.00022733
0.02864121 0.01920632 -0.01620996
15.50543256 -7.41143962 -13.16693266
0.00002978 -0.00012375 -0.00001249
0.00121468 -0.00089506 -0.00776053
9.81947857 -3.79233420 6.60199819
0.00001086 -0.00013047 -0.00036279
-0.00817730 -0.00376373 -0.02854101
-19.39791056 1.42393450 24.83355229
-0.00007058 -0.00000212 -0.00004941
-0.04208296 -0.04130424 0.00719441
24.10866637 -1.07500706 -7.35992657
-0.00027432 0.00020104 0.00011349
0.01225218 -0.02940514 -0.03188100
11.63838806 -10.37674340 -11.35807544
0.00005585 0.00032873 0.00003206
0.00054541 0.00666601 0.00288675
-8.92067988 -10.68805051 16.35361184
-0.00010182 0.00015860 -0.00032833
-0.01550571 0.00436127 0.01021576
7.03885272 1.59231851 -27.93079990
0.00034621 -0.00000299 -0.00002713
-0.03883756 -0.01150657 0.01685563
12.62064018 18.57237526 12.80344075
-0.00001445 -0.00029226 -0.00025379
-0.01292142 0.00593752 0.01558300
26.02821936 7.55141387 -11.07275723
0.00003600 -0.00001738 0.00010959
0.03136219 0.00141058 0.00079319
5.09680858 -29.89563431 -4.88117961
-0.00023466 0.00020470 0.00011054
-0.00283349 0.00388229 0.00734468
3.94625055 -29.96440458 -2.14953521
-0.00049884 -0.00020872 0.00014175
-0.00408950 0.01133868 0.01828683
-9.94217154 2.44575462 -8.69219311
-0.00065566 0.00051151 -0.00000427
-0.02684820 -0.00447270 -0.01235322
-11.81075582 2.55121785 -11.06989675
0.00000772 0.00002710 0.00034714
0.00297719 0.00359066 0.00161346
-36.71712019 3.19432068 2.99425168
0.00057363 -0.00100227 0.00044454
-0.00707712 0.00277869 -0.01080093
-37.67611403 0.43718154 3.84320406
-0.00081449 0.00021304 -0.00037187
0.02548318 0.02542218 -0.01952466
-8.69570724 -3.99876095 1.47527932
-0.00052646 0.00063546 0.00071677
-0.02041438 -0.00778647 -0.01329037
-6.39816100 -4.96784533 2.84991061
-0.00026545 -0.00032542 0.00018653
-0.00093308 -0.00035479 0.00112508
2.91744210 -0.08442759 7.37858211
0.00056001 0.00002877 -0.00080234
0.00501041 -0.00165153 -0.00725352
1.61790749 1.78743587 9.25936312
-0.00015814 -0.00058229 -0.00028472
0.00050869 -0.02307685 -0.00018861
-29.87878496 0.11643725 2.82785093
-0.00051354 0.00046651 0.00055134
-0.02278229 0.00362492 -0.00424558
-32.76088250 0.99251248 2.76384410
0.00037705 0.00003560 0.00005226
-0.04147115 -0.02012139 0.00695045
15.73123960 11.65499498 -18.48087375
-0.00062694 -0.00144151 -0.00034219
0.01232923 0.02117415 0.00426986
18.44833244 12.44489408 -17.44646703
-0.00014236 0.00053606 -0.00083103
-0.03494704 0.01166174 -0.01120443
-2.90630131 6.69784358 6.15222224
0.00022235 -0.00027651 -0.00020006
-0.00018369 0.00723760 0.00777881
-2.83242218 5.14870723 3.77609934
0.00020356 -0.00027285 0.00093082
-0.00279143 -0.00424013 0.00651580
6.16830521 16.43483964 -8.85411028
0.00097915 -0.00042636 -0.00009035
-0.00250952 0.01309773 0.03524141
7.01426107 18.12082732 -6.59991578
-0.00050612 -0.00055535 0.00114353
0.04193149 0.03034353 0.01476232
7.81042425 5.35911264 -22.50802597
0.00048372 0.00114979 -0.00006490
-0.00817546 -0.01967107 -0.04370800
8.64094469 6.95424856 -20.71552616
-0.00005999 0.00025876 -0.00025467
-0.00560131 0.00946517 0.02722302
19.32118092 21.20717245 -4.31436587
-0.00039333 -0.00004263 -0.00065431
-0.02540869 -0.03422054 -0.00355417
19.45883832 19.74592048 -6.76093908
0.00051522 0.00040448 -0.00038931
0.00027392 -0.00928834 -0.00103584
1.40234951 12.38758409 -20.82217570
-0.00051517 0.00014194 -0.00119962
-0.00508032 -0.01434940 -0.00194491
0.71870411 14.87687725 -22.28170367
0.00026951 -0.00021920 -0.00014190
-0.01630289 -0.00407927 0.00524131
9.96081214 -7.00144923 0.02569839
-0.00070584 -0.00001562 0.00121870
0.00595880 0.00756795 -0.00354316
9.38918461 -4.08880705 -0.60802331
-0.00013415 -0.00059328 0.00132224
0.02182844 -0.01882939 0.02132670
-18.23401396 -5.44639132 6.67123407
-0.00022556 -0.00089481 -0.00055810
-0.00237354 -0.00972970 0.01755201
-18.75005968 -5.03975268 3.94363357
-0.00003462 0.00029760 0.00049251
-0.00291366 -0.00106017 -0.01067475
-14.42561222 -0.04673651 19.23818662
-0.00035758 0.00045164 -0.00018215
0.00159955 -0.03143019 0.02019768
-14.44480666 -0.26977121 22.15299713
-0.00065689 0.00036053 -0.00033583
0.00082705 -0.00015391 0.00990905
1.06912657 2.69911221 -2.60864843
-0.00042055 -0.00047306 -0.00015476
0.00484121 0.00636755 -0.00874783
1.98259490 2.53745035 -5.35428845
-0.00044086 0.00144648 -0.00094190
-0.00305518 -0.00166492 0.00212330
21.34912633 -10.51528843 -6.31856153
-0.00079140 0.00047677 0.00111370
0.01335368 0.00652642 0.00465320
22.73877266 -9.97758475 -3.46105467
-0.00022141 -0.00041066 -0.00090024
-0.02878073 -0.01011667 -0.04081663
4.69728253 -10.39437421 6.86002481
0.00098904 0.00024246 -0.00098434
-0.00391088 -0.00010918 -0.00236928
3.40514936 -11.67503551 9.10148597
0.00002843 0.00039561 0.00049951
-0.00556226 0.00647454 -0.00492583
-2.06341059 -3.38800947 -20.76289166
0.00028908 -0.00060506 0.00015894
0.00206145 0.02108722 0.01389039
-3.16236871 -2.03927295 -18.45236115
0.00067496 -0.00030046 0.00080180
-0.01365960 -0.00032394 0.01809014
0.83712568 4.83430571 -10.41996491
0.00058697 -0.00038399 -0.00108208
0.00108404 0.00625383 0.01313482
-1.23568647 3.26673246 -8.99983860
0.00100565 -0.00022136 0.00020076
-0.02347360 -0.01125114 0.07746672
-4.00484058 15.66905561 15.58250896
-0.00042168 0.00093730 0.00067166
0.01705589 0.01464872 0.02126063
-6.67713653 15.11960158 14.82745370
-0.00037270 0.00041535 -0.00075669
-0.00950132 -0.00147671 0.00266433
-6.66724372 2.07904926 -6.08226800
0.00019940 0.00013813 0.00089733
0.00522652 -0.00328893 -0.00298251
-4.89113877 1.52403692 -8.37813806
-0.00040650 0.00036224 -0.00066268
-0.00475509 -0.01165203 -0.01425825
-9.91778784 -0.74063451 -3.82543561
0.00001570 0.00048379 0.00015557
-0.01400957 -0.01212071 0.01360601
-9.68028558 2.22678963 -2.79113561
-0.00011160 -0.00079906 -0.00062298
-0.00077678 -0.01135479 -0.00458954
3.34551085 28.96026113 4.86106086
0.00041640 -0.00040355 0.00063994
0.00162749 0.00814474 0.00118848
3.11291429 27.67299324 7.51590182
-0.00018966 0.00074324 0.00035699
0.01172798 0.01880626 0.05822155
8.05014282 -11.02333814 -1.14587545
0.00043402 -0.00045144 -0.00118065
0.00537897 0.00390062 -0.00487087
10.71390622 -11.35522925 0.04629378
-0.00010896 -0.00104577 -0.00044200
0.00226725 -0.00720141 0.00920662
-5.44518765 -0.18468297 8.67740062
0.00055040 -0.00010048 -0.00001890
-0.00886249 0.02910023 0.01479960
-8.21364751 -0.03690598 9.02319165
-0.00083924 0.00010270 0.00001158
-0.00863496 0.00667675 0.00659999
20.31499772 10.86000531 8.82214465
-0.00077534 -0.00058006 -0.00021470
-0.01328054 -0.00281135 -0.03382778
22.18311945 10.77809087 6.66714724
0.00026128 -0.00037067 0.00009564
-0.05136226 0.00657114 -0.00048039
-2.91738055 -0.14171288 -22.62846727
-0.00046436 0.00044487 -0.00046655
0.00178231 -0.02831403 0.04439355
-4.87428501 1.46056419 -24.07947018
0.00172833 0.00000046 0.00043795
0.01199796 -0.00567536 0.00171606
-12.39189958 9.98938027 9.56700435
0.00047094 0.00014998 -0.00003148
-0.01229803 -0.01962877 -0.00179386
-13.50589942 9.38903046 7.03962296
-0.00047989 -0.00060987 0.00038980
-0.00781069 0.00218346 -0.01032784
-14.78815735 4.88252926 -4.38561118
-0.00048077 0.00034544 0.00011731
0.01022579 0.00422919 -0.00272714
-13.64291698 7.64336350 -4.26306945
0.00023693 -0.00119286 -0.00055851
-0.00454982 -0.00381525 0.00137568
-4.29181655 -15.74017188 20.42282616
-0.00084417 -0.00069188 0.00036057
0.01009543 -0.00154063 0.00220357
-1.78147168 -16.76620589 19.42740665
-0.00075353 0.00014192 -0.00023986
-0.00258950 0.01167550 0.00571009
-5.44199504 6.17459997 -7.52540136
-0.00079419 0.00015937 0.00031723
-0.00442741 -0.01923705 0.00621500
-7.39762976 8.32346162 -6.86361234
0.00015857 -0.00017906 0.00062911
-0.00201416 0.00077784 0.00232971
-20.91409455 28.97078344 0.97346147
0.00057998 0.00012339 0.00059174
0.02012160 0.01832931 -0.00818306
-18.03228803 29.53538615 0.30994075
0.00022241 0.00038604 -0.00074697
-0.00979139 -0.00155342 0.00940012
9.23673625 2.80679604 6.63179315
-0.00067079 -0.00064283 -0.00055211
-0.01300920 -0.02006846 -0.02623248
9.18403754 5.44075162 7.78180329
0.00039147 0.00045258 0.00064995
-0.01430650 0.04210343 0.00375673
7.69952219 17.73685716 -12.31803457
-0.00025269 -0.00017824 0.00011314
0.01042979 0.00596805 -0.00533086
8.40024907 14.93793594 -12.27963589
0.00007355 -0.00002090 -0.00041701
0.01058514 -0.00883498 -0.00302689
12.13979366 5.97332255 -1.15167564
0.00115790 -0.00035542 -0.00043083
-0.00755054 0.00623564 0.00280619
13.62545899 3.78470915 0.26557016
-0.00000849 -0.00076633 0.00037025
-0.00587997 0.00938493 -0.00225503
-4.50129382 10.55062209 -1.86016661
-0.00037814 -0.00125727 0.00034477
-0.01263393 0.02331474 -0.01055455
-7.03099381 10.72248528 -0.53004467
0.00077568 -0.00005317 0.00030353
0.00845145 0.02136800 -0.02096141
7.44352368 14.39707529 4.98834724
0.00016628 0.00064116 0.00047573
0.00979100 -0.03572834 0.00228056
9.27575185 11.99137637 4.24914167
-0.00051618 0.00005840 0.00110580
-0.02956528 0.01160180 0.01835003
20.22589064 -13.09614915 -8.76919486
-0.00011178 0.00069965 -0.00035095
0.00867030 0.00445581 -0.00388068
23.22488892 -12.58113916 -9.26829502
-0.00008498 -0.00058752 -0.00120293
-0.03983890 0.00764368 -0.00245542
19.71965549 -4.95970742 -2.57651209
-0.00067233 -0.00008529 0.00026718
0.00317812 -0.00203847 0.01610493
18.19395057 -6.91027275 -1.15008293
0.00047782 -0.00016142 0.00067584
0.02293872 0.00468688 0.01269061
13.97096970 9.50957487 9.18117914
-0.00007493 -0.00060139 0.00066708
-0.00612354 0.00119885 -0.00680951
15.32251137 7.62837530 10.68251175
0.00085618 -0.00030444 0.00084331
0.00540493 -0.00365909 -0.00422830
3.01630739 -14.94361021 17.40756427
0.00035708 -0.00015414 -0.00017749
-0.01257947 -0.04508258 0.01240879
3.14645629 -12.33641937 17.28405276
-0.00020285 0.00010395 -0.00020792
0.01209954 0.01507957 -0.01303155
-2.66174381 -3.72265030 -12.52546387
-0.00033004 -0.00003424 -0.00006085
-0.00333001 -0.01922249 0.01070149
-0.74226279 -1.88315600 -13.76548131
-0.00016559 -0.00053735 -0.00120653
-0.02922616 0.00052038 0.00636027
15.85835139 -7.44196824 -15.01697077
-0.00070443 -0.00004953 0.00024311
0.00292192 -0.01028243 0.01856158
16.84793833 -8.28336615 -12.24014365
-0.00001483 0.00069977 -0.00066468
-0.00670663 0.00853412 -0.01083586
8.14371143 -3.39379813 5.85075282
0.00117589 0.00068000 -0.00004916
0.02080704 -0.00822588 0.00570762
10.77312826 -4.58856132 5.18873784
0.00124032 -0.00056858 0.00020235
-0.01217830 0.01538996 0.01721134
-20.94625267 0.35460129 25.27306638
0.00051214 -0.00097615 -0.00030214
0.03276005 0.01773057 -0.01958541
-19.54972341 2.72418684 26.08883478
-0.00066919 -0.00024825 0.00018318
0.00417929 0.01778294 0.00736047
25.18371438 -2.66899646 -7.55567541
-0.00059240 0.00051962 -0.00053319
-0.01361623 0.02485228 0.01429905
23.55901323 -0.86826035 -9.14038259
0.00048104 0.00027499 -0.00017591
0.00872570 0.00555500 0.01900697
11.99062207 -10.47344034 -9.55602727
0.00048899 -0.00130865 -0.00070407
0.00470666 0.00201506 0.00174356
12.93703537 -9.32463775 -12.16637755
0.00002362 0.00088180 -0.00047712
0.00176451 0.00725056 0.00426656
-7.37150044 -10.77656657 17.38632411
-0.00124772 0.00002911 -0.00057618
-0.00406958 0.00469050 -0.00466984
-10.14232110 -10.26301783 17.69977781
0.00037563 0.00120013 0.00005487
0.00356234 -0.00740793 -0.01386243
8.11987965 1.29992990 -29.35067082
0.00017211 -0.00079785 -0.00025123
0.02214673 0.00605385 -0.01935431
5.40700908 0.81970461 -28.38439475
-0.00020662 0.00011854 -0.00028687
0.01304639 0.00605798 0.00293049
14.00185517 19.33230547 13.69210887
-0.00081620 -0.00055155 -0.00064761
0.00373260 0.00210842 0.00038771
13.33829596 17.74728249 11.39085286
0.00090750 0.00032476 0.00072088
0.01072555 -0.01079678 -0.01559115
27.86526306 7.80661347 -11.52477861
0.00029542 0.00018388 -0.00006983
-0.02114640 -0.00404675 -0.00388343
26.12585587 7.65006930 -9.22714765
0.00043038 0.00012323 -0.00039354
-0.00082793 0.00021095 0.00541502
-7.82698135 4.72732183 6.16114803
0.00010431 0.00001635 0.00011869
-0.00253406 -0.00346241 0.00316611
-10.29313757 9.12093043 3.06173849
0.00028822 -0.00010917 0.00024497
0.00884590 -0.00233929 0.00691822
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.07581960
0.28586135
380.89591063
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0602470930
ExchangeOperator: pair fraction: ispin=0: 0.1508058410
ExchangeOperator: bisection time: 1.422 s
total exchange = -52.3439912385 (a.u.)
total exchange computation time: 2.8859429359 s
-153.9952450152
-931.36350361
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0602470930
ExchangeOperator: pair fraction: ispin=0: 0.1508058410
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.3438548498 (a.u.)
total exchange computation time: 2.8843810558 s
-153.9975677138
Anderson extrapolation: theta=1.3549488768 (1.3549488768)
-931.36374937
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0601017442
ExchangeOperator: pair fraction: ispin=0: 0.1502866414
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.3435463241 (a.u.)
total exchange computation time: 2.9251120090 s
-154.0012023805
Anderson extrapolation: theta=0.0482626404 (0.0482626404)
-931.36385668
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0601017442
ExchangeOperator: pair fraction: ispin=0: 0.1502866414
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.3434681898 (a.u.)
total exchange computation time: 2.9268169403 s
-154.0018712721
Anderson extrapolation: theta=2.1304379603 (2.0000000000)
-931.36386361
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0601017442
ExchangeOperator: pair fraction: ispin=0: 0.1502866414
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.3432880916 (a.u.)
total exchange computation time: 2.9265580177 s
-154.0033368323
Anderson extrapolation: theta=0.2855524597 (0.2855524597)
-931.36387222
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0601017442
ExchangeOperator: pair fraction: ispin=0: 0.1502866414
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3432302930 (a.u.)
total exchange computation time: 2.9274430275 s
-154.0037514870
Anderson extrapolation: theta=1.5292570714 (1.5292570714)
-931.36387421
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0601017442
ExchangeOperator: pair fraction: ispin=0: 0.1502866414
ExchangeOperator: bisection time: 1.422 s
total exchange = -52.3431572928 (a.u.)
total exchange computation time: 2.9257028103 s
-154.0042225504
Anderson extrapolation: theta=0.3762331791 (0.3762331791)
-931.36387644
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0601017442
ExchangeOperator: pair fraction: ispin=0: 0.1502866414
ExchangeOperator: bisection time: 1.422 s
total exchange = -52.3431473023 (a.u.)
total exchange computation time: 2.9268629551 s
-154.0042324783
Anderson extrapolation: theta=1.0609524000 (1.0609524000)
-931.36387712
65.598372 -17.293566 -167.082166
561.213179 1074.436098 -407.026865
626.811552 1057.142532 -574.109031
1356.482301
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0601017442
ExchangeOperator: pair fraction: ispin=0: 0.1502866414
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3431507883 (a.u.)
total exchange computation time: 2.9286971092 s
678.35113754
-1082.99477403
89.88240957
-389.54443485
-174.71506502
77.82824714
551.60419304
0.00000000
-931.36387758
4.55262305 -30.98733947 -3.48218841
-0.00002588 -0.00029702 -0.00000048
0.00861574 -0.01603210 -0.02172481
-11.68766342 2.13188943 -9.27904464
0.00038124 0.00011258 0.00020729
0.01457826 0.00110287 0.00693096
-36.19472945 1.42920072 3.14747459
0.00005964 0.00025337 0.00013446
-0.02115130 -0.04692884 0.02998040
-7.42037807 -3.46660061 2.63521717
0.00016278 0.00005098 0.00002385
0.02243825 0.00203077 0.01639176
2.24842115 0.03372848 9.05966748
-0.00008894 -0.00015516 0.00028922
-0.00390103 0.01194320 -0.00463375
-31.09485902 1.51973610 2.57949561
-0.00005453 0.00023320 -0.00014060
0.06579947 0.02005653 0.00093639
16.83879847 13.16569355 -18.30191563
-0.00001286 0.00003123 -0.00035964
0.01024050 -0.03123964 0.01258436
-3.44976221 5.08126622 5.50277633
-0.00001333 -0.00013777 -0.00024815
0.00165265 -0.00004956 -0.01114420
5.70424545 17.05783960 -7.01754313
-0.00020491 -0.00002721 -0.00017988
-0.03986272 -0.04209438 -0.05198269
7.23338129 5.76165581 -20.85930107
-0.00001525 0.00010008 0.00028395
0.01381416 0.02271410 0.01554021
18.60049187 19.57455561 -5.15783175
0.00001039 -0.00011490 -0.00002489
0.02780808 0.03671907 0.00068446
1.95768823 14.04887636 -21.23708907
0.00008071 0.00036203 -0.00006338
0.01904209 0.01976072 0.00586456
10.52505854 -5.28931561 0.43384370
0.00017164 0.00008069 -0.00008031
-0.02574425 0.00916294 -0.01743708
-17.86483303 -4.29533831 5.34717148
0.00062703 -0.00040974 -0.00002221
0.00694777 0.00731000 -0.00347080
-14.29511930 -1.34762721 20.69183132
-0.00004691 0.00001143 0.00018376
-0.00343897 0.02952049 -0.03632650
1.60254606 3.74468904 -4.03967550
0.00003678 -0.00013927 -0.00017004
-0.00449991 -0.00530093 0.01284658
21.24078404 -10.60121952 -4.48523053
0.00000125 0.00012038 -0.00000095
0.01233959 0.00792298 0.04467974
3.06777690 -10.48441216 7.71922098
-0.00004261 -0.00024375 -0.00024614
0.01473428 -0.00757385 0.00012849
-1.95280905 -1.76863097 -19.73784579
-0.00017449 0.00002364 -0.00043418
0.01229130 -0.02729447 -0.02851966
-0.58409490 3.71286819 -10.49931759
-0.00045125 0.00028546 -0.00021425
0.02676693 0.01416256 -0.08877954
-4.95786336 14.72603568 14.43575582
0.00009817 0.00008625 -0.00023503
-0.00542832 -0.00930560 -0.02187028
-5.31887805 2.77182003 -7.16768389
0.00019636 0.00006869 0.00026932
-0.00563443 0.00794530 0.01805901
-9.24422816 0.89567554 -4.01811777
0.00007229 0.00025576 0.00006451
0.02646344 0.01835615 -0.02378048
2.86965672 27.49615646 5.81840372
-0.00006869 -0.00001654 -0.00019217
-0.01190061 -0.02161528 -0.04633601
9.84162415 -10.84277682 -1.47322068
-0.00046683 -0.00000747 0.00012281
-0.00669373 0.01420618 -0.01816053
-6.77492463 1.06102562 9.28893793
0.00002022 0.00003689 -0.00001279
0.01611625 -0.03887037 -0.02210451
20.17698667 10.78552796 6.90005673
-0.00015629 -0.00011008 -0.00000170
0.07385078 -0.00658232 0.03394801
-3.08365350 1.04770658 -23.90630468
-0.00016163 -0.00009100 -0.00017749
-0.00044349 0.03774573 -0.04760807
-13.56669332 8.71715145 8.71739969
0.00024552 -0.00021237 0.00015959
0.00674990 0.00570793 0.01898456
-13.62209683 5.99447415 -3.48231313
-0.00018917 -0.00011773 -0.00032319
-0.00085131 -0.00765525 0.00169043
-2.47494576 -15.45136276 20.53131925
-0.00022364 -0.00010230 0.00000330
-0.02032300 -0.01006844 -0.00223192
-5.96798000 7.86219649 -7.89211904
0.00019233 0.00043457 0.00008874
0.00636400 0.01514830 -0.01448648
-19.60282188 30.30441716 0.89485822
0.00016609 -0.00026155 -0.00011580
-0.01268845 -0.00915228 0.00371013
9.85340918 3.81750444 7.94230440
0.00010256 -0.00000471 0.00000300
0.02873918 -0.03040832 0.01702332
7.26940275 16.15358448 -11.58084857
0.00002458 0.00028835 0.00011627
-0.02076732 -0.00759593 0.00848267
13.54495333 4.86182375 -1.26335083
-0.00039735 -0.00031587 -0.00006083
0.02840315 -0.02255661 0.00491571
-6.05001865 11.65479007 -1.86011004
0.00012202 0.00031971 0.00049899
0.02015575 -0.04494842 0.03356039
7.72979341 12.53374973 5.27984341
-0.00012643 -0.00018768 -0.00006235
0.01557479 0.03593822 -0.02247261
21.44895975 -11.89969169 -9.46130707
-0.00065327 0.00013754 0.00031111
0.02785312 -0.00542692 -0.00375428
19.73900334 -5.84550074 -0.90513773
-0.00022764 0.00019859 0.00039195
-0.02282913 0.00083933 -0.02925753
14.97946736 8.02041755 8.90667324
0.00042804 0.00003528 0.00024066
0.00609551 -0.00387781 0.02127958
3.83672747 -13.77312600 16.36561688
-0.00005178 0.00000715 -0.00004820
0.00249079 0.02595065 -0.00687034
-2.59843694 -2.29094583 -13.58567424
0.00007702 0.00023415 0.00021898
0.02658714 0.01813339 -0.01623415
15.50588393 -7.41329935 -13.16714995
0.00002920 -0.00012350 -0.00001660
-0.00348415 0.00186440 -0.00820728
9.81960998 -3.79430577 6.59644625
0.00000864 -0.00013299 -0.00037688
-0.00048308 -0.00604713 -0.02625688
-19.39913160 1.42374342 24.83283890
-0.00009202 -0.00002335 -0.00004562
-0.04126897 -0.04125393 0.00755316
24.10459881 -1.07210490 -7.35834720
-0.00026827 0.00018630 0.00009685
0.01129405 -0.02792550 -0.03283368
11.63922788 -10.37178672 -11.35758334
0.00005631 0.00033251 0.00003204
0.00126523 0.00804791 -0.00296889
-8.92226697 -10.68565465 16.34872635
-0.00011141 0.00016109 -0.00032346
-0.02179287 0.00529762 0.00872048
7.04389600 1.59222925 -27.93114190
0.00032579 -0.00000936 -0.00001915
-0.04057154 -0.01324829 0.01420668
12.62037352 18.56801424 12.79969399
-0.00002284 -0.00028941 -0.00024572
-0.01967958 0.00515796 0.01579332
26.02888038 7.55115855 -11.07111029
0.00005249 -0.00001662 0.00010911
0.03276985 0.00156692 -0.00268620
5.09320183 -29.89244482 -4.87929648
-0.00024669 0.00021916 0.00014127
-0.00305313 0.00319605 0.00769877
3.93864264 -29.96718787 -2.14684864
-0.00051355 -0.00016632 0.00021212
-0.00311059 0.00941478 0.01616195
-9.95282914 2.45329016 -8.69263576
-0.00075218 0.00049530 -0.00005029
-0.02039938 -0.00345794 -0.01017244
-11.81054882 2.55173435 -11.06464019
0.00001985 0.00004225 0.00035172
0.00296138 0.00382728 0.00062973
-36.70873263 3.17937176 3.00058877
0.00053957 -0.00097271 0.00039888
-0.00959554 0.01169049 -0.01154984
-37.68755046 0.44115615 3.83702776
-0.00070614 0.00031914 -0.00045324
0.02755125 0.02651557 -0.02030570
-8.70422969 -3.98946765 1.48562357
-0.00061000 0.00060256 0.00066171
-0.02048165 -0.00831776 -0.01366253
-6.40217130 -4.97273751 2.85274304
-0.00027044 -0.00032583 0.00019020
-0.00150964 0.00015201 0.00067195
2.92599572 -0.08404670 7.36632474
0.00057306 0.00002294 -0.00081286
0.00137906 -0.00120122 0.00210558
1.61555104 1.77799444 9.25508659
-0.00015824 -0.00067026 -0.00028446
-0.00055967 -0.01998848 0.00031487
-29.88718615 0.12354597 2.83599093
-0.00060169 0.00047776 0.00053421
-0.02037014 0.00188215 -0.00413973
-32.75649759 0.99242983 2.76484103
0.00020263 -0.00004717 0.00008096
-0.04390579 -0.02039211 0.00709842
15.72221328 11.63402111 -18.48587574
-0.00056600 -0.00134040 -0.00032288
0.01750403 0.02832167 0.00518004
18.44512622 12.45329234 -17.45927586
-0.00028164 0.00058142 -0.00087474
-0.03323242 0.01054125 -0.01018878
-2.90297162 6.69391765 6.14945971
0.00022123 -0.00024664 -0.00016741
-0.00036582 0.00738708 0.00820383
-2.82945434 5.14448451 3.79026127
0.00019739 -0.00029035 0.00094170
-0.00022895 -0.00432478 -0.00118972
6.18291551 16.42884557 -8.85438559
0.00096773 -0.00037119 0.00005492
-0.00307857 0.01391059 0.03586945
7.00795411 18.11342685 -6.58231042
-0.00033284 -0.00043006 0.00120521
0.04289407 0.03099020 0.01543091
7.81742955 5.37575676 -22.51033889
0.00044779 0.00106923 -0.00023955
-0.00941436 -0.01976609 -0.04178003
8.63987325 6.95842003 -20.71851207
-0.00008322 0.00029756 -0.00014147
-0.00576983 0.00952467 0.02819160
19.31450239 21.20548433 -4.32428946
-0.00049577 -0.00018020 -0.00066618
-0.02473507 -0.03311952 -0.00225391
19.46657509 19.75170303 -6.76681052
0.00051185 0.00036485 -0.00038588
-0.00192717 -0.01010812 0.00271649
1.39446635 12.38927344 -20.84022955
-0.00053366 0.00008501 -0.00120718
-0.00397295 -0.01351901 -0.00175640
0.72224724 14.87346420 -22.28367156
0.00020012 -0.00023158 -0.00012398
-0.01766601 -0.00198131 0.00353036
9.95040713 -7.00145158 0.04387024
-0.00068078 0.00001599 0.00120415
0.00631064 0.00790539 -0.00357799
9.38784129 -4.09828322 -0.58753613
-0.00004964 -0.00066456 0.00140342
0.01954085 -0.01606146 0.01841097
-18.23747004 -5.46011168 6.66340036
-0.00023418 -0.00093263 -0.00048668
-0.00184829 -0.00878099 0.01741236
-18.75066823 -5.03532115 3.95069413
-0.00004896 0.00029197 0.00044306
-0.00410794 -0.00169839 -0.01353090
-14.43092694 -0.04092497 19.23607328
-0.00035052 0.00031978 -0.00009702
0.00185734 -0.03311561 0.02147502
-14.45463470 -0.26436798 22.14826337
-0.00065355 0.00036054 -0.00029351
0.00081111 0.00015782 0.01080671
1.06296663 2.69221138 -2.61123790
-0.00039903 -0.00044536 -0.00019545
0.00569255 0.00719571 -0.01117096
1.97588842 2.55909653 -5.36835194
-0.00045175 0.00143261 -0.00093800
-0.00227477 -0.00512277 -0.00021146
21.33766450 -10.50793691 -6.30171345
-0.00073577 0.00050396 0.00111562
0.01387816 0.00678247 -0.00371361
22.73456958 -9.98405472 -3.47580896
-0.00033185 -0.00044839 -0.00106112
-0.02527840 -0.00835039 -0.03793507
4.71199828 -10.39074067 6.84518711
0.00095781 0.00023981 -0.00098475
-0.01137786 -0.00118506 0.00216661
3.40540541 -11.66890298 9.10882762
0.00000650 0.00042339 0.00047673
-0.00517644 0.00712423 -0.00622402
-2.05901117 -3.39643922 -20.76008194
0.00029661 -0.00051722 0.00021579
0.00162257 0.02191321 0.01393790
-3.15266288 -2.04378975 -18.43977980
0.00062428 -0.00030096 0.00087020
-0.01114651 0.00007895 0.01538979
0.84596339 4.82873747 -10.43579361
0.00058684 -0.00036230 -0.00102833
-0.00114713 0.00436457 0.01317685
-1.22132100 3.26306730 -8.99445331
0.00091278 -0.00026760 0.00051621
-0.02198867 -0.01138286 0.07694425
-4.01064312 15.68356407 15.59323533
-0.00035997 0.00098999 0.00074913
0.01315169 0.01113914 0.01666442
-6.68301817 15.12578653 14.81618507
-0.00040524 0.00040751 -0.00074752
-0.00642945 -0.00235928 0.00182225
-6.66409257 2.08102050 -6.06889941
0.00022369 0.00012546 0.00088157
0.00666234 -0.00291690 -0.00473399
-4.89738191 1.52911353 -8.38851515
-0.00042803 0.00031846 -0.00071706
-0.00578507 -0.00978122 -0.01236386
-9.91798161 -0.73374909 -3.82268512
-0.00004233 0.00043153 0.00021083
-0.01439915 -0.01346235 0.01344218
-9.68198341 2.21445572 -2.80062101
-0.00011854 -0.00083439 -0.00063169
-0.00262121 -0.00593917 0.00032770
3.35180666 28.95445750 4.87069631
0.00042564 -0.00036240 0.00063809
0.00289938 0.01199920 -0.00209280
3.11042881 27.68471812 7.52304079
-0.00014466 0.00081748 0.00057956
0.01029723 0.01753233 0.05072797
8.05681797 -11.02999022 -1.16373451
0.00044009 -0.00043746 -0.00119654
-0.00240744 0.00294358 -0.00290349
10.71234124 -11.37113653 0.03994597
-0.00010099 -0.00107502 -0.00040431
0.00163386 -0.00711386 0.00924216
-5.43720327 -0.18529839 8.67757063
0.00050934 0.00002026 0.00004269
-0.01123529 0.02999880 0.01534821
-8.22650073 -0.03516093 9.02356767
-0.00086498 0.00013491 0.00003941
-0.00396221 0.00909392 0.00702168
20.30296070 10.85121828 8.81788756
-0.00082846 -0.00059108 -0.00034975
-0.01272210 -0.00258311 -0.03227774
22.18546472 10.77273224 6.66856708
0.00004912 -0.00034333 0.00009454
-0.05249163 0.00681020 -0.00005801
-2.92429127 -0.13590748 -22.63410510
-0.00045491 0.00032205 -0.00027793
0.00284285 -0.03180688 0.04793345
-4.84799234 1.46039711 -24.07284830
0.00174947 -0.00001529 0.00044148
-0.00165243 -0.00203116 0.00000877
-12.38521233 9.99102849 9.56647722
0.00041973 0.00006883 -0.00003972
-0.01276809 -0.02009478 -0.00224217
-13.51333714 9.37994936 7.04515354
-0.00051139 -0.00059879 0.00034213
-0.00760692 0.00324087 -0.01300746
-14.79505560 4.88784040 -4.38393510
-0.00044135 0.00035939 0.00010453
0.00907206 0.00260264 -0.00352944
-13.63950244 7.62535376 -4.27140493
0.00021864 -0.00119498 -0.00055862
-0.00440214 0.00277698 -0.00142858
-4.30416977 -15.75059732 20.42830230
-0.00079383 -0.00069621 0.00037041
0.01454974 -0.00057844 0.00260880
-1.79285394 -16.76371933 19.42398372
-0.00076177 0.00018716 -0.00021866
-0.00144449 0.01046878 0.00466533
-5.45404359 6.17640100 -7.52045243
-0.00081040 0.00008084 0.00034125
-0.00350572 -0.01920046 0.00553974
-7.39531286 8.32079957 -6.85410435
0.00015227 -0.00017508 0.00063603
-0.00107056 0.00117045 0.00105986
-20.90477823 28.97319599 0.98208676
0.00065741 0.00019223 0.00055795
0.01777806 0.01536517 -0.00835437
-18.02925186 29.54112911 0.29902431
0.00018219 0.00037868 -0.00070820
-0.00989928 -0.00204575 0.00957709
9.22627574 2.79653865 6.62270765
-0.00071725 -0.00071130 -0.00064404
-0.00973219 -0.01344983 -0.01876774
9.18947115 5.44883050 7.79166773
0.00033485 0.00061849 0.00066491
-0.01340686 0.03911058 0.00356181
7.69605139 17.73436638 -12.31650077
-0.00020844 -0.00014651 0.00008830
0.01123469 0.00956521 -0.00682867
8.40167669 14.93735171 -12.28598382
0.00011159 -0.00005157 -0.00042591
0.00803694 -0.00617891 -0.00132892
12.15693074 5.96818239 -1.15805216
0.00110947 -0.00031642 -0.00041685
-0.01615335 0.01285159 0.00403836
13.62515143 3.77350184 0.27105487
-0.00003400 -0.00072307 0.00035460
-0.00660688 0.01179144 -0.00540593
-4.50735309 10.53247748 -1.85531849
-0.00043237 -0.00115723 0.00030017
-0.01391318 0.02565646 -0.01127621
-7.01909958 10.72234256 -0.52613408
0.00080589 0.00003373 0.00022139
0.00633350 0.02116663 -0.01924663
7.44631784 14.40559786 4.99555314
0.00020717 0.00048813 0.00048567
0.01022603 -0.03918299 0.00258199
9.26710322 11.99260787 4.26629096
-0.00062836 0.00010296 0.00117402
-0.02535013 0.01021078 0.01504611
20.22447964 -13.08551787 -8.77457807
-0.00008540 0.00070799 -0.00036123
0.00424044 -0.00037182 -0.00114892
23.22239336 -12.58971768 -9.28641418
-0.00025455 -0.00055354 -0.00121229
-0.04316385 0.00898562 -0.00212824
19.70966788 -4.96104924 -2.57201096
-0.00065876 -0.00009303 0.00033279
0.00346604 -0.00175208 0.01601549
18.20182081 -6.91255039 -1.13955644
0.00056662 -0.00014539 0.00072727
0.02052618 0.00315887 0.01248334
13.96965811 9.50059074 9.19097663
-0.00010149 -0.00059380 0.00063974
-0.00687937 0.00251842 -0.00657278
15.33551968 7.62369652 10.69503186
0.00087636 -0.00031675 0.00081668
0.00447479 -0.00236336 -0.00880761
3.02127814 -14.94730372 17.40528213
0.00030495 -0.00033842 -0.00012570
-0.01293873 -0.04512507 0.01294630
3.14378433 -12.33439802 17.28053470
-0.00015321 0.00016386 -0.00026138
0.01219915 0.01424495 -0.01313760
-2.66679644 -3.72375295 -12.52604872
-0.00034273 -0.00011109 -0.00001840
-0.00288189 -0.01839759 0.01007762
-0.74564216 -1.89120037 -13.78338444
-0.00028190 -0.00053490 -0.00117905
-0.02770768 0.00068218 0.00709372
15.84787452 -7.44302623 -15.01275532
-0.00069101 -0.00009147 0.00031383
0.00364704 -0.01025125 0.01605828
16.84751037 -8.27260813 -12.25044583
-0.00003417 0.00072880 -0.00070319
-0.00275903 0.00567718 -0.00801662
8.16198735 -3.38385016 5.85019038
0.00124995 0.00064817 -0.00003257
0.01544690 -0.00735452 0.00241147
10.79135993 -4.59661843 5.19230052
0.00118612 -0.00050296 0.00027495
-0.01435429 0.01673146 0.01832833
-20.93756672 0.34050241 25.26793407
0.00064456 -0.00090316 -0.00038183
0.03206130 0.01799786 -0.01942244
-19.55963326 2.72100803 26.09180809
-0.00065229 -0.00017644 0.00021225
0.00409703 0.01737032 0.00686930
25.17441111 -2.66044056 -7.56323505
-0.00064500 0.00061703 -0.00047341
-0.01213031 0.02282697 0.01496063
23.56649629 -0.86396532 -9.14243877
0.00051541 0.00029865 -0.00009823
0.00809520 0.00602823 0.01901573
11.99810114 -10.49300827 -9.56653486
0.00051019 -0.00129961 -0.00068939
0.00566974 0.00241027 0.00544208
12.93744375 -9.31118856 -12.17340357
0.00002724 0.00090704 -0.00045565
0.00000770 0.00510371 0.00624051
-7.39034102 -10.77598616 17.37753832
-0.00125041 0.00004723 -0.00058892
0.00275306 0.00417813 -0.00156676
-10.13657742 -10.24524286 17.70017602
0.00038967 0.00116893 -0.00000419
0.00330565 -0.00786679 -0.01504562
8.12313991 1.28814763 -29.35503236
0.00026045 -0.00077211 -0.00032649
0.02109891 0.00654748 -0.01748515
5.40430962 0.82166838 -28.38860799
-0.00014829 0.00014557 -0.00027275
0.01550504 0.00717127 0.00398148
13.98972653 19.32409688 13.68240664
-0.00079014 -0.00053503 -0.00063637
0.00902520 0.00597840 0.00511375
13.35223718 17.75182298 11.40118828
0.00095425 0.00027443 0.00064708
0.01215766 -0.01383561 -0.02053403
27.86904634 7.80924764 -11.52594510
0.00020641 0.00016698 -0.00008562
-0.02242317 -0.00422674 -0.00384696
26.13228616 7.65192423 -9.23288488
0.00042657 0.00012418 -0.00036442
-0.00103390 0.00025200 0.00884230
-7.82542357 4.72755778 6.16293690
0.00010339 0.00001513 0.00011983
-0.00258213 -0.00332785 0.00320001
-10.28879888 9.11928885 3.06542514
0.00029028 -0.00010970 0.00024657
0.00895121 -0.00223747 0.00680291
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.07619931
0.28767827
383.31687301
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0601017442
ExchangeOperator: pair fraction: ispin=0: 0.1502866414
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3530478569 (a.u.)
total exchange computation time: 2.9147517681 s
-154.0325987284
-931.36555459
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0601017442
ExchangeOperator: pair fraction: ispin=0: 0.1502866414
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3528762912 (a.u.)
total exchange computation time: 2.9167530537 s
-154.0353620381
Anderson extrapolation: theta=1.3521051710 (1.3521051710)
-931.36579621
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0601017442
ExchangeOperator: pair fraction: ispin=0: 0.1502866414
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.3525872265 (a.u.)
total exchange computation time: 2.9156670570 s
-154.0394864610
Anderson extrapolation: theta=0.0542260690 (0.0542260690)
-931.36594267
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0601017442
ExchangeOperator: pair fraction: ispin=0: 0.1502866414
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3525250704 (a.u.)
total exchange computation time: 2.9156670570 s
-154.0400746596
Anderson extrapolation: theta=1.9978593944 (1.9978593944)
-931.36594880
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0601017442
ExchangeOperator: pair fraction: ispin=0: 0.1502866414
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3523902414 (a.u.)
total exchange computation time: 2.9168028831 s
-154.0412920020
Anderson extrapolation: theta=0.2321123187 (0.2321123187)
-931.36595574
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0601017442
ExchangeOperator: pair fraction: ispin=0: 0.1502866414
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3523609550 (a.u.)
total exchange computation time: 2.9142799377 s
-154.0415233485
Anderson extrapolation: theta=1.8436158427 (1.8436158427)
-931.36595712
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0601017442
ExchangeOperator: pair fraction: ispin=0: 0.1502866414
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.3523264143 (a.u.)
total exchange computation time: 2.9154939651 s
-154.0417709707
Anderson extrapolation: theta=0.2755687367 (0.2755687367)
-931.36595879
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0601017442
ExchangeOperator: pair fraction: ispin=0: 0.1502866414
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.3523351708 (a.u.)
total exchange computation time: 2.9179220200 s
-154.0416769650
Anderson extrapolation: theta=1.3018263133 (1.3018263133)
-931.36595914
65.630946 -17.333679 -167.066960
561.164354 1074.427519 -407.071873
626.795301 1057.093841 -574.138833
1356.449460
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0601017442
ExchangeOperator: pair fraction: ispin=0: 0.1502866414
ExchangeOperator: bisection time: 1.422 s
total exchange = -52.3523585096 (a.u.)
total exchange computation time: 2.9174120426 s
678.48611236
-1083.29523687
89.87565476
-389.34109692
-174.73903420
77.99480204
551.60419304
0.00000000
-931.36595938
4.55226801 -30.99185663 -3.48227943
-0.00002172 -0.00030448 -0.00001108
0.00756200 -0.01298505 -0.01948055
-11.68188854 2.13358233 -9.27590848
0.00038685 0.00011273 0.00021039
0.00722901 -0.00048656 0.00510098
-36.19391639 1.43282018 3.14960719
0.00004903 0.00022675 0.00015025
-0.02010660 -0.05656076 0.03140745
-7.41784982 -3.46582813 2.63563820
0.00017426 0.00005195 0.00003230
0.02220023 0.00173912 0.01644398
2.24707192 0.03144710 9.06398793
-0.00008969 -0.00015003 0.00028444
0.00101408 0.00801127 -0.01394742
-31.09542315 1.52331148 2.57739017
-0.00002130 0.00024388 -0.00014016
0.06342751 0.02149053 0.00080448
16.83864508 13.16604151 -18.30726171
-0.00000938 0.00001399 -0.00035368
0.00329569 -0.03578856 0.01057817
-3.44995574 5.07919955 5.49901112
-0.00001313 -0.00013773 -0.00025184
-0.00089058 0.00019177 -0.00322669
5.70101802 17.05726903 -7.02044183
-0.00022497 -0.00004868 -0.00020653
-0.03815314 -0.04136985 -0.05166528
7.23320580 5.76324465 -20.85498181
-0.00000767 0.00011167 0.00029078
0.01568566 0.02236494 0.01101481
18.60075497 19.57297376 -5.15820240
0.00002497 -0.00009636 -0.00002587
0.02890511 0.03539377 -0.00450626
1.95897230 14.05438296 -21.23801719
0.00009045 0.00037129 -0.00005997
0.01884661 0.01627403 0.00739412
10.52753380 -5.28806992 0.43257179
0.00015909 0.00008441 -0.00008841
-0.02305632 0.00529517 -0.01407181
-17.85540072 -4.30145625 5.34682499
0.00063063 -0.00040622 -0.00002318
0.00703973 0.00639410 -0.00033090
-14.29583614 -1.34734182 20.69444759
-0.00004874 0.00002691 0.00016469
-0.00369958 0.03065594 -0.03784231
1.60308046 3.74257950 -4.04217662
0.00003413 -0.00014128 -0.00016231
-0.00581490 -0.00249680 0.01721821
21.24085038 -10.59938321 -4.48507248
0.00000634 0.00012383 0.00002330
0.00746130 0.00546230 0.04961967
3.06719458 -10.48809766 7.71552940
-0.00003340 -0.00024750 -0.00024690
0.02106857 -0.00698678 -0.00307955
-1.95537898 -1.76838172 -19.74446845
-0.00016882 0.00000944 -0.00044786
0.00975953 -0.02792683 -0.02470719
-0.59076036 3.71720477 -10.50287376
-0.00043775 0.00029292 -0.00025862
0.02572231 0.01484202 -0.08376508
-4.95641174 14.72729355 14.43214604
0.00009566 0.00008287 -0.00024465
-0.00434575 -0.00385687 -0.01555128
-5.31595435 2.77288108 -7.16357438
0.00019340 0.00007215 0.00027839
-0.00590038 0.00548073 0.01719115
-9.24304178 0.89958274 -4.01724182
0.00008634 0.00026370 0.00005097
0.02819039 0.01253684 -0.02889502
2.86858042 27.49582504 5.81534239
-0.00007470 -0.00002819 -0.00021265
-0.01147786 -0.02371166 -0.03330441
9.83459593 -10.84283414 -1.47144859
-0.00046790 0.00000007 0.00011316
0.00250399 0.01513866 -0.01935593
-6.77455911 1.06142899 9.28866086
0.00002783 0.00001625 -0.00002430
0.01347047 -0.04139485 -0.02266100
20.17492722 10.78385134 6.90016212
-0.00011838 -0.00011358 0.00001508
0.07354511 -0.00700415 0.03130907
-3.08607960 1.04648722 -23.90915060
-0.00015817 -0.00007219 -0.00020190
0.01389377 0.03538014 -0.04731901
-13.56298448 8.71398796 8.71986670
0.00024902 -0.00020959 0.00017002
0.00687219 0.00508668 0.02160333
-13.62493769 5.99267861 -3.48715446
-0.00018932 -0.00012291 -0.00032131
0.00026583 -0.01247206 0.00562437
-2.47837881 -15.45293613 20.53136021
-0.00023542 -0.00010732 0.00000240
-0.02546884 -0.00942860 -0.00129836
-5.96507054 7.86877347 -7.89084375
0.00019517 0.00044196 0.00008182
0.00468952 0.01359327 -0.01243677
-19.60037954 30.30045857 0.89313558
0.00016025 -0.00026519 -0.00011391
-0.01000821 -0.00498076 0.00362477
9.85505841 3.81731653 7.94241505
0.00011609 -0.00002092 0.00000984
0.02389247 -0.03264245 0.00956622
7.26969140 16.15788042 -11.57907185
0.00001448 0.00028286 0.00012052
-0.01853957 -0.01374474 0.00804460
13.53910258 4.85699862 -1.26424428
-0.00038042 -0.00032959 -0.00005784
0.03744182 -0.03079362 0.00668490
-6.04811061 11.65941236 -1.85249572
0.00013309 0.00029627 0.00051574
0.02290568 -0.04622159 0.03157600
7.72795701 12.53107317 5.27882143
-0.00011983 -0.00016809 -0.00007298
0.01009846 0.04024497 -0.01884171
21.43926814 -11.89764953 -9.45665484
-0.00063708 0.00013577 0.00030827
0.03509748 -0.00145139 -0.00728993
19.73550073 -5.84251867 -0.89937130
-0.00023867 0.00019933 0.00037711
-0.02007168 0.00203088 -0.02846041
14.98591151 8.02093180 8.91036522
0.00043156 0.00003273 0.00025259
0.00758356 -0.00602640 0.02510037
3.83596038 -13.77291871 16.36486737
-0.00005059 0.00002036 -0.00005161
0.00215049 0.02543120 -0.00638101
-2.59717904 -2.28736366 -13.58245209
0.00008997 0.00024297 0.00021081
0.02376345 0.01619070 -0.01554993
15.50630842 -7.41514469 -13.16743056
0.00002611 -0.00012180 -0.00002087
-0.00852781 0.00475168 -0.00842804
9.81973766 -3.79632399 6.59069175
0.00001046 -0.00013669 -0.00038956
0.00758795 -0.00832782 -0.02303992
-19.40067101 1.42323408 24.83218379
-0.00011282 -0.00004427 -0.00004160
-0.03961943 -0.04009671 0.00806878
24.10061838 -1.06941819 -7.35702113
-0.00026277 0.00017247 0.00007991
0.01006053 -0.02582552 -0.03303341
11.64007746 -10.36676795 -11.35711415
0.00005714 0.00033702 0.00002909
0.00193173 0.00946056 -0.00849894
-8.92402219 -10.68321792 16.34390814
-0.00012423 0.00016404 -0.00031951
-0.02805689 0.00618368 0.00664146
7.04862628 1.59203778 -27.93137431
0.00030479 -0.00001658 -0.00001268
-0.04107842 -0.01484896 0.01093026
12.61995505 18.56369301 12.79606907
-0.00003457 -0.00028709 -0.00023778
-0.02595971 0.00386276 0.01509805
26.02979420 7.55091531 -11.06948407
0.00006954 -0.00001579 0.00010690
0.03352930 0.00163829 -0.00590161
5.08940796 -29.88905945 -4.87694153
-0.00025948 0.00023093 0.00017317
-0.00320951 0.00256622 0.00791486
3.93084410 -29.96939416 -2.14317158
-0.00052376 -0.00013268 0.00027276
-0.00188871 0.00705317 0.01352332
-9.96473694 2.46061377 -8.69370185
-0.00082026 0.00048376 -0.00008656
-0.01292404 -0.00219273 -0.00758051
-11.81016033 2.55248541 -11.05934503
0.00003179 0.00005834 0.00035229
0.00288328 0.00405025 -0.00035244
-36.70093315 3.16513930 3.00621802
0.00049530 -0.00090621 0.00035005
-0.01207509 0.02086364 -0.01235222
-37.69729837 0.44675580 3.82960699
-0.00059108 0.00042836 -0.00053686
0.02877349 0.02694717 -0.02062779
-8.71400738 -3.98068411 1.49513050
-0.00069228 0.00056808 0.00060654
-0.01979166 -0.00856228 -0.01334210
-6.40627412 -4.97762036 2.85561664
-0.00027773 -0.00032427 0.00019203
-0.00205928 0.00061308 0.00022333
2.93463385 -0.08373942 7.35419642
0.00057170 0.00001880 -0.00078644
-0.00204416 -0.00082584 0.01082678
1.61316030 1.76732800 9.25082936
-0.00016312 -0.00074439 -0.00028210
-0.00183064 -0.01629669 0.00084205
-29.89683575 0.13077004 2.84387722
-0.00067910 0.00048112 0.00051772
-0.01751872 -0.00023507 -0.00393091
-32.75480349 0.99109744 2.76627299
0.00002264 -0.00012947 0.00010976
-0.04420465 -0.01989490 0.00699597
15.71425971 11.61478297 -18.49056026
-0.00048584 -0.00121250 -0.00030025
0.02173243 0.03428629 0.00589712
18.43988330 12.46233662 -17.47270913
-0.00041243 0.00062167 -0.00091370
-0.03079000 0.00916444 -0.00888209
-2.89966435 6.69044444 6.14719996
0.00021922 -0.00021681 -0.00013338
-0.00061737 0.00721628 0.00845251
-2.82650052 5.13999674 3.80435028
0.00020218 -0.00030815 0.00092029
0.00257555 -0.00438919 -0.00928759
6.19733715 16.42370403 -8.85246259
0.00095413 -0.00031313 0.00020167
-0.00357986 0.01451070 0.03596459
7.00427597 18.10792565 -6.56375935
-0.00016024 -0.00030586 0.00126808
0.04159204 0.02980560 0.01534243
7.82385787 5.39118949 -22.51521235
0.00040620 0.00098930 -0.00040343
-0.01094358 -0.01935707 -0.03843987
8.63844820 6.96317524 -20.71977021
-0.00010716 0.00033625 -0.00002480
-0.00594944 0.00941605 0.02891627
19.30630794 21.20176644 -4.33435118
-0.00059480 -0.00031185 -0.00067225
-0.02374241 -0.03132299 -0.00071778
19.47419374 19.75686608 -6.77251549
0.00049976 0.00032204 -0.00036756
-0.00398865 -0.01084726 0.00625174
1.38633970 12.39013426 -20.85839105
-0.00054711 0.00003267 -0.00121415
-0.00261111 -0.01210008 -0.00165525
0.72470769 14.86992973 -22.28542308
0.00012558 -0.00023558 -0.00011277
-0.01882385 0.00002463 0.00195868
9.94038887 -7.00096943 0.06182282
-0.00065432 0.00004868 0.00118941
0.00664120 0.00809602 -0.00363447
9.38769555 -4.10874374 -0.56592062
0.00002420 -0.00072331 0.00147175
0.01660161 -0.01269766 0.01503576
-18.24103939 -5.47437020 6.65663379
-0.00024033 -0.00096562 -0.00041703
-0.00116310 -0.00736622 0.01668143
-18.75152855 -5.03099372 3.95692544
-0.00006779 0.00028408 0.00038283
-0.00510832 -0.00215936 -0.01595422
-14.43612782 -0.03714296 19.23527606
-0.00034251 0.00018226 -0.00000779
0.00206499 -0.03420544 0.02220132
-14.46441303 -0.25895508 22.14419191
-0.00065024 0.00036146 -0.00024819
0.00080903 0.00029393 0.01137706
1.05715556 2.68575154 -2.61451200
-0.00037437 -0.00041478 -0.00024522
0.00638073 0.00777094 -0.01319097
1.96904253 2.58042875 -5.38242840
-0.00045955 0.00140501 -0.00094359
-0.00154641 -0.00838999 -0.00252323
21.32705321 -10.50016971 -6.28509298
-0.00067844 0.00053222 0.00108298
0.01418655 0.00705217 -0.01226398
22.72881729 -9.99103645 -3.49288815
-0.00042569 -0.00047805 -0.00120851
-0.02065832 -0.00616941 -0.03421568
4.72601672 -10.38717976 6.83048219
0.00089769 0.00023282 -0.00096741
-0.01804810 -0.00224078 0.00632440
3.40534422 -11.66233383 9.11578782
-0.00001378 0.00045350 0.00044903
-0.00475014 0.00761698 -0.00733257
-2.05451230 -3.40352600 -20.75641802
0.00030232 -0.00042704 0.00027225
0.00117381 0.02223130 0.01369951
-3.14364017 -2.04830171 -18.42625527
0.00058487 -0.00029948 0.00092615
-0.00814701 0.00064566 0.01200207
0.85473080 4.82343672 -10.45081476
0.00057760 -0.00034823 -0.00097444
-0.00337397 0.00252271 0.01320214
-1.20830314 3.25870452 -8.98435240
0.00082938 -0.00031174 0.00082070
-0.01883319 -0.01022577 0.07210621
-4.01563964 15.69875520 15.60498300
-0.00031527 0.00102636 0.00080610
0.00872754 0.00666635 0.01122168
-6.68929384 15.13182688 14.80502811
-0.00042482 0.00039595 -0.00074175
-0.00315562 -0.00329776 0.00099967
-6.66053311 2.08281297 -6.05582094
0.00025345 0.00011418 0.00085896
0.00790798 -0.00260449 -0.00633077
-4.90397960 1.53359069 -8.39964997
-0.00045396 0.00028317 -0.00076280
-0.00690952 -0.00749055 -0.01002546
-9.91905785 -0.72768871 -3.81911081
-0.00010122 0.00037539 0.00026513
-0.01442591 -0.01401532 0.01313755
-9.68384188 2.20175783 -2.81008632
-0.00013334 -0.00084665 -0.00061950
-0.00462287 -0.00006016 0.00564156
3.35828017 28.94938925 4.88020350
0.00044005 -0.00030588 0.00062314
0.00415376 0.01566597 -0.00522679
3.10857441 27.69751750 7.53328868
-0.00010611 0.00088575 0.00076704
0.00857380 0.01588833 0.04104479
8.06334558 -11.03646190 -1.18177152
0.00041361 -0.00042765 -0.00120457
-0.01055427 0.00186022 -0.00102942
10.71087641 -11.38747979 0.03416457
-0.00009609 -0.00110363 -0.00036728
0.00076834 -0.00688998 0.00888212
-5.42990745 -0.18407531 8.67868127
0.00045962 0.00014351 0.00010592
-0.01310266 0.03033336 0.01560211
-8.23959677 -0.03285854 9.02437402
-0.00087195 0.00017655 0.00006883
0.00054992 0.01128710 0.00737785
20.29014398 10.84227294 8.81165230
-0.00087921 -0.00060115 -0.00047673
-0.01212306 -0.00234619 -0.02988370
22.18459298 10.76779098 6.66998336
-0.00016601 -0.00031512 0.00009490
-0.05281419 0.00699935 0.00023644
-2.93102776 -0.13205141 -22.63680527
-0.00044160 0.00018859 -0.00007861
0.00367082 -0.03352365 0.04963461
-4.82180095 1.46010554 -24.06622588
0.00171185 -0.00001515 0.00043792
-0.01676252 0.00210114 -0.00174977
-12.37930760 9.99144519 9.56581267
0.00036717 -0.00001355 -0.00004950
-0.01295987 -0.02023088 -0.00254199
-13.52124105 9.37106687 7.04988694
-0.00054210 -0.00058359 0.00028442
-0.00742519 0.00419688 -0.01524370
-14.80139785 4.89331105 -4.38247533
-0.00040697 0.00036639 0.00008829
0.00775490 0.00082168 -0.00442025
-13.63635768 7.60751421 -4.27982797
0.00020108 -0.00116990 -0.00057041
-0.00419285 0.00949763 -0.00434592
-4.31563130 -15.76105821 20.43393833
-0.00072653 -0.00069674 0.00038178
0.01839334 0.00032195 0.00295722
-1.80432474 -16.76059117 19.42084671
-0.00076514 0.00022698 -0.00020213
-0.00020419 0.00902532 0.00342669
-5.46630699 6.17702530 -7.51516399
-0.00082322 0.00000388 0.00036215
-0.00277161 -0.01847543 0.00469344
-7.39306158 8.31820925 -6.84453140
0.00014998 -0.00016947 0.00063763
-0.00005082 0.00157391 -0.00027762
-20.89437237 28.97655022 0.99020004
0.00072398 0.00024775 0.00052370
0.01481103 0.01181655 -0.00841366
-18.02682239 29.54674670 0.28869480
0.00014198 0.00036923 -0.00066889
-0.00978056 -0.00258348 0.00966698
9.21521878 2.78545696 6.61247193
-0.00074997 -0.00075236 -0.00070511
-0.00628260 -0.00664852 -0.01112388
9.19408310 5.45930632 7.80175045
0.00028315 0.00076900 0.00067929
-0.01190204 0.03456654 0.00348018
7.69326911 17.73246182 -12.31538547
-0.00016115 -0.00010097 0.00005772
0.01191127 0.01272757 -0.00814147
8.40359687 14.93638881 -12.29241318
0.00013888 -0.00007098 -0.00042760
0.00532046 -0.00332112 0.00050369
12.17307784 5.96382985 -1.16418120
0.00102665 -0.00025052 -0.00039801
-0.02438917 0.01940944 0.00518664
13.62443896 3.76301719 0.27620828
-0.00006237 -0.00067053 0.00032682
-0.00727814 0.01392450 -0.00819246
-4.51426504 10.51590526 -1.85116145
-0.00049067 -0.00104849 0.00025276
-0.01462511 0.02757288 -0.01193315
-7.00681718 10.72349706 -0.52340304
0.00082672 0.00011888 0.00014744
0.00386187 0.02051841 -0.01695258
7.44973871 14.41171905 5.00291729
0.00024938 0.00032321 0.00049652
0.01043514 -0.04154650 0.00273071
9.25690098 11.99446515 4.28436237
-0.00072147 0.00014114 0.00122775
-0.02022763 0.00847807 0.01125393
20.22332852 -13.07490938 -8.78003169
-0.00007782 0.00069612 -0.00036012
-0.00052552 -0.00544190 0.00169065
23.21725245 -12.59774550 -9.30466377
-0.00043561 -0.00051476 -0.00122005
-0.04546756 0.01000040 -0.00166997
19.69989268 -4.96249844 -2.56652829
-0.00064407 -0.00009923 0.00039733
0.00372434 -0.00127881 0.01557581
18.21094902 -6.91463444 -1.12826489
0.00064456 -0.00013630 0.00077764
0.01762873 0.00128855 0.01217498
13.96792492 9.49176096 9.20037131
-0.00013088 -0.00058126 0.00061343
-0.00750536 0.00361799 -0.00630386
15.34880223 7.61887290 10.70701218
0.00089268 -0.00032382 0.00077224
0.00351151 -0.00109815 -0.01294885
3.02545593 -14.95376277 17.40379341
0.00025294 -0.00052001 -0.00007374
-0.01252215 -0.04376317 0.01248776
3.14186001 -12.33150365 17.27621149
-0.00010329 0.00022005 -0.00031502
0.01223461 0.01326084 -0.01312040
-2.67202569 -3.72598311 -12.52601595
-0.00035346 -0.00018303 0.00002036
-0.00236941 -0.01681823 0.00889765
-0.75071964 -1.89920293 -13.80085282
-0.00039064 -0.00053162 -0.00114884
-0.02552499 0.00092309 0.00769673
15.83762116 -7.44471248 -15.00755572
-0.00067464 -0.00013317 0.00037340
0.00436694 -0.01015833 0.01309798
16.84691332 -8.26150218 -12.26123931
-0.00003666 0.00074580 -0.00072962
0.00154097 0.00264711 -0.00492160
8.18120994 -3.37435292 5.84977573
0.00130054 0.00062055 -0.00003011
0.00931810 -0.00616521 -0.00120535
10.80871187 -4.60365014 5.19698648
0.00112384 -0.00043249 0.00035102
-0.01613032 0.01776241 0.01890598
-20.92691586 0.32750655 25.26161144
0.00077262 -0.00083010 -0.00046030
0.03062585 0.01776512 -0.01898890
-19.56929201 2.71889377 26.09520240
-0.00063566 -0.00010729 0.00023847
0.00404415 0.01647563 0.00596174
25.16436442 -2.65048568 -7.56987781
-0.00069077 0.00070494 -0.00041123
-0.01027634 0.02020849 0.01547611
23.57447547 -0.85930085 -9.14332955
0.00054687 0.00032434 -0.00002165
0.00730714 0.00654632 0.01847007
12.00592768 -10.51242850 -9.57670891
0.00053527 -0.00128912 -0.00066018
0.00660973 0.00272263 0.00885620
12.93785259 -9.29742659 -12.18004714
0.00002384 0.00092351 -0.00042618
-0.00167159 0.00295721 0.00818474
-7.40901287 -10.77514970 17.36865652
-0.00122465 0.00006313 -0.00058847
0.00985691 0.00360545 0.00178850
-10.13063115 -10.22795002 17.69965214
0.00040210 0.00113605 -0.00006746
0.00278054 -0.00822504 -0.01592759
8.12769324 1.27676663 -29.36046549
0.00034334 -0.00074397 -0.00039265
0.01947688 0.00722562 -0.01490167
5.40256040 0.82407165 -28.39257722
-0.00008101 0.00017659 -0.00025469
0.01742842 0.00801645 0.00485863
13.97815102 19.31625468 13.67301782
-0.00074263 -0.00050271 -0.00060585
0.01422959 0.00984208 0.00982307
13.36692349 17.75551554 11.41026525
0.00100613 0.00021279 0.00055492
0.01323566 -0.01634223 -0.02458016
27.87145539 7.81162277 -11.52734735
0.00011326 0.00014948 -0.00010138
-0.02317569 -0.00433862 -0.00386732
26.13865310 7.65379460 -9.23808020
0.00042196 0.00012534 -0.00032166
-0.00122621 0.00031806 0.01209015
-7.82387964 4.72777586 6.16474294
0.00010246 0.00001397 0.00012098
-0.00263731 -0.00319500 0.00322169
-10.28442904 9.11763947 3.06913548
0.00029237 -0.00011021 0.00024813
0.00903895 -0.00213240 0.00668784
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.07625943
0.28969995
386.01065930
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0601017442
ExchangeOperator: pair fraction: ispin=0: 0.1502866414
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.3628256874 (a.u.)
total exchange computation time: 2.9083371162 s
-154.0671783796
-931.36751338
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0601017442
ExchangeOperator: pair fraction: ispin=0: 0.1502866414
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.3625410305 (a.u.)
total exchange computation time: 2.9051339626 s
-154.0708456531
Anderson extrapolation: theta=1.3440539000 (1.3440539000)
-931.36774904
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0601017442
ExchangeOperator: pair fraction: ispin=0: 0.1502866414
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3620781394 (a.u.)
total exchange computation time: 2.9069738388 s
-154.0762990166
Anderson extrapolation: theta=0.0502686900 (0.0502686900)
-931.36789017
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0601017442
ExchangeOperator: pair fraction: ispin=0: 0.1502866414
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3619898312 (a.u.)
total exchange computation time: 2.9075741768 s
-154.0770476389
Anderson extrapolation: theta=1.8669457558 (1.8669457558)
-931.36789543
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0601017442
ExchangeOperator: pair fraction: ispin=0: 0.1502866414
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.3618040830 (a.u.)
total exchange computation time: 2.9088499546 s
-154.0785601138
Anderson extrapolation: theta=0.2132016816 (0.2132016816)
-931.36790085
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0601017442
ExchangeOperator: pair fraction: ispin=0: 0.1502866414
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3617583453 (a.u.)
total exchange computation time: 2.9089639187 s
-154.0788916923
Anderson extrapolation: theta=1.9016190275 (1.9016190275)
-931.36790187
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0601017442
ExchangeOperator: pair fraction: ispin=0: 0.1502866414
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.3616880855 (a.u.)
total exchange computation time: 2.9083161354 s
-154.0793681299
Anderson extrapolation: theta=0.2853757992 (0.2853757992)
-931.36790320
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0601017442
ExchangeOperator: pair fraction: ispin=0: 0.1502866414
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.3616854260 (a.u.)
total exchange computation time: 2.9075729847 s
-154.0793519728
Anderson extrapolation: theta=1.3305278933 (1.3305278933)
-931.36790352
65.651500 -17.369443 -167.045102
561.111321 1074.421193 -407.113780
626.762821 1057.051751 -574.158882
1356.410137
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0601017442
ExchangeOperator: pair fraction: ispin=0: 0.1502866414
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3616951791 (a.u.)
total exchange computation time: 2.9111070633 s
678.62244884
-1083.59932352
89.86898406
-389.13506493
-174.76325303
78.16354751
551.60419304
0.00000000
-931.36790377
4.55197131 -30.99647396 -3.48252073
-0.00001817 -0.00031032 -0.00002040
0.00626521 -0.00973138 -0.01677222
-11.67605789 2.13527147 -9.27273297
0.00038847 0.00011202 0.00021245
-0.00095027 -0.00229833 0.00289581
-36.19325845 1.43600328 3.15198208
0.00003913 0.00019540 0.00016667
-0.01841195 -0.06536694 0.03242890
-7.41515030 -3.46504223 2.63618608
0.00018542 0.00005271 0.00004060
0.02118855 0.00122724 0.01585303
2.24573053 0.02922751 9.06820079
-0.00008794 -0.00014702 0.00027510
0.00579528 0.00369102 -0.02237902
-31.09549795 1.52705264 2.57529093
0.00001008 0.00025520 -0.00013973
0.05860826 0.02252605 0.00086243
16.83851711 13.16611337 -18.31252617
-0.00000942 -0.00000524 -0.00034880
-0.00345897 -0.03899709 0.00842518
-3.45015615 5.07713436 5.49522101
-0.00001426 -0.00013750 -0.00025141
-0.00349826 0.00069824 0.00491725
5.69749625 17.05637931 -7.02373910
-0.00024365 -0.00006928 -0.00023268
-0.03446720 -0.03876594 -0.05000729
7.23315132 5.76500602 -20.85057757
0.00000095 0.00012302 0.00029506
0.01779991 0.02176126 0.00563116
18.60124107 19.57166495 -5.15860782
0.00004000 -0.00007866 -0.00002950
0.02951319 0.03341226 -0.00961672
1.96040177 14.06001511 -21.23888826
0.00009997 0.00037869 -0.00005582
0.01818556 0.01248657 0.00875634
10.52983118 -5.28678338 0.43119133
0.00014809 0.00008602 -0.00009468
-0.01969780 0.00098611 -0.01028886
-17.84591410 -4.30752485 5.34647595
0.00063417 -0.00040332 -0.00002255
0.00672443 0.00486575 0.00277866
-14.29658152 -1.34681994 20.69677192
-0.00005070 0.00004288 0.00014506
-0.00392329 0.03144963 -0.03849952
1.60356999 3.74045069 -4.04454490
0.00003087 -0.00014185 -0.00015249
-0.00685708 0.00027948 0.02098752
21.24097429 -10.59750475 -4.48453163
0.00000868 0.00012590 0.00004984
0.00162488 0.00261452 0.05359456
3.06677480 -10.49183706 7.71181406
-0.00002117 -0.00025090 -0.00024924
0.02651284 -0.00625577 -0.00603243
-1.95787361 -1.76834791 -19.75128172
-0.00016452 -0.00000501 -0.00045940
0.00693760 -0.02823329 -0.02015032
-0.59722739 3.72165585 -10.50707616
-0.00042513 0.00030040 -0.00029946
0.02335581 0.01422926 -0.07505726
-4.95499364 14.72852166 14.42841628
0.00009372 0.00008234 -0.00025100
-0.00319980 0.00180501 -0.00913018
-5.31307617 2.77398440 -7.15933224
0.00019036 0.00007428 0.00028687
-0.00590289 0.00281525 0.01580492
-9.24163792 0.90358667 -4.01658879
0.00010123 0.00026839 0.00003476
0.02969091 0.00568579 -0.03412034
2.86741558 27.49531069 5.81202412
-0.00008044 -0.00004075 -0.00022617
-0.01082155 -0.02512473 -0.01926955
9.82758703 -10.84277467 -1.46982583
-0.00046420 0.00000809 0.00010303
0.01190942 0.01603985 -0.02003693
-6.77408968 1.06151301 9.28820896
0.00003402 -0.00000549 -0.00003601
0.01059873 -0.04311537 -0.02287692
20.17343515 10.78212069 6.90050905
-0.00008084 -0.00011728 0.00003033
0.07245176 -0.00740112 0.02800184
-3.08839851 1.04554082 -23.91236157
-0.00014703 -0.00005516 -0.00022566
0.02939801 0.03085073 -0.04510739
-13.55922262 8.71086371 8.72250037
0.00025252 -0.00020716 0.00018160
0.00673869 0.00436478 0.02340594
-13.62777650 5.99078684 -3.49195239
-0.00018889 -0.00013050 -0.00031739
0.00141626 -0.01704892 0.00959819
-2.48200835 -15.45458224 20.53139115
-0.00024969 -0.00011193 0.00000202
-0.03001922 -0.00853253 -0.00015411
-5.96212490 7.87545531 -7.88966441
0.00019719 0.00044839 0.00007600
0.00317676 0.01139176 -0.01020325
-19.59801441 30.29646155 0.89144089
0.00015587 -0.00026653 -0.00011207
-0.00700144 -0.00025516 0.00352286
9.85689198 3.81687678 7.94259949
0.00012703 -0.00003793 0.00001289
0.01863970 -0.03350816 0.00229443
7.26983703 16.16207032 -11.57723307
0.00000557 0.00027434 0.00012445
-0.01611229 -0.01938801 0.00724470
13.53354069 4.85193593 -1.26508616
-0.00035908 -0.00034735 -0.00005403
0.04554575 -0.03824124 0.00813950
-6.04602586 11.66367807 -1.84463780
0.00014553 0.00027238 0.00053132
0.02546312 -0.04665136 0.02900367
7.72619850 12.52870710 5.27765409
-0.00011621 -0.00014646 -0.00008158
0.00399030 0.04384083 -0.01459890
21.42984730 -11.89561857 -9.45205886
-0.00061738 0.00013615 0.00030360
0.04151610 0.00290899 -0.01089166
19.73184327 -5.83952093 -0.89382443
-0.00024818 0.00020071 0.00036277
-0.01691198 0.00333532 -0.02728888
14.99241416 8.02139955 8.91425085
0.00043578 0.00002916 0.00026636
0.00883776 -0.00787329 0.02847803
3.83520987 -13.77251523 16.36406863
-0.00004973 0.00003299 -0.00005456
0.00117729 0.02369550 -0.00508749
-2.59573781 -2.28365658 -13.57934991
0.00010130 0.00025062 0.00020314
0.02028218 0.01353239 -0.01427279
15.50666712 -7.41695338 -13.16777619
0.00002038 -0.00011860 -0.00002520
-0.01375812 0.00770318 -0.00840106
9.81992387 -3.79840645 6.58475951
0.00001649 -0.00014155 -0.00040039
0.01582953 -0.01058670 -0.01906719
-19.40251608 1.42241541 24.83159092
-0.00013260 -0.00006435 -0.00003728
-0.03729886 -0.03801043 0.00871758
24.09671556 -1.06693070 -7.35594991
-0.00025798 0.00015986 0.00006303
0.00859937 -0.02321805 -0.03260812
11.64094195 -10.36167620 -11.35671053
0.00005828 0.00034224 0.00002344
0.00253005 0.01086716 -0.01347998
-8.92599386 -10.68073349 16.33914117
-0.00014022 0.00016743 -0.00031673
-0.03412680 0.00700862 0.00414119
7.05303965 1.59173176 -27.93152239
0.00028379 -0.00002460 -0.00000801
-0.04058712 -0.01632056 0.00723634
12.61933630 18.55940159 12.79256063
-0.00004933 -0.00028556 -0.00023042
-0.03143021 0.00209185 0.01352516
26.03096669 7.55068471 -11.06790338
0.00008685 -0.00001495 0.00010313
0.03377638 0.00163083 -0.00873268
5.08541739 -29.88551681 -4.87410150
-0.00027279 0.00024026 0.00020566
-0.00330274 0.00199952 0.00799243
3.92292981 -29.97116819 -2.13866571
-0.00052862 -0.00010932 0.00032190
-0.00049089 0.00437860 0.01052885
-9.97743680 2.46780300 -8.69523252
-0.00085598 0.00047788 -0.00011150
-0.00456555 -0.00068672 -0.00462836
-11.80959514 2.55348469 -11.05407147
0.00004330 0.00007531 0.00034890
0.00275018 0.00425368 -0.00130717
-36.69387371 3.15218549 3.01109024
0.00044125 -0.00080260 0.00029787
-0.01438193 0.02985487 -0.01318788
-37.70528287 0.45400694 3.82092203
-0.00047273 0.00053802 -0.00062091
0.02915974 0.02673364 -0.02051409
-8.72499802 -3.97242533 1.50381974
-0.00077021 0.00053314 0.00055401
-0.01835846 -0.00854222 -0.01237299
-6.41050314 -4.98246565 2.85850394
-0.00028718 -0.00032095 0.00019205
-0.00256608 0.00101078 -0.00021379
2.94314671 -0.08348276 7.34273163
0.00055699 0.00001602 -0.00072617
-0.00515615 -0.00053379 0.01867313
1.61065736 1.75566280 9.24662374
-0.00017357 -0.00080239 -0.00027756
-0.00328130 -0.01209710 0.00138028
-29.90755900 0.13797971 2.85152260
-0.00074410 0.00047516 0.00050230
-0.01429921 -0.00268255 -0.00362029
-32.75581853 0.98854576 2.76813371
-0.00015427 -0.00020817 0.00013760
-0.04238961 -0.01862786 0.00663518
15.70763804 11.59764610 -18.49488337
-0.00039023 -0.00106256 -0.00027506
0.02507069 0.03910820 0.00643648
18.43275338 12.47194257 -17.48668674
-0.00053171 0.00065577 -0.00094669
-0.02760142 0.00752753 -0.00726899
-2.89639492 6.68741350 6.14545824
0.00021602 -0.00018823 -0.00009867
-0.00094877 0.00677000 0.00853866
-2.82338886 5.13523998 3.81787009
0.00021870 -0.00032617 0.00086565
0.00551110 -0.00443188 -0.01746081
6.21153939 16.41945179 -8.84833546
0.00093864 -0.00025305 0.00034777
-0.00400162 0.01489446 0.03555190
7.00314684 18.10425112 -6.54426800
0.00000269 -0.00018996 0.00132892
0.03816253 0.02692513 0.01443916
7.82961550 5.40543590 -22.52244165
0.00035794 0.00091189 -0.00055130
-0.01267934 -0.01853961 -0.03394462
8.63665854 6.96850752 -20.71925619
-0.00013185 0.00037417 0.00009433
-0.00613944 0.00914737 0.02940172
19.29665841 21.19612889 -4.34445689
-0.00068912 -0.00043462 -0.00067148
-0.02242887 -0.02877515 0.00109160
19.48156795 19.76136435 -6.77783730
0.00047970 0.00027634 -0.00033556
-0.00583265 -0.01152583 0.00941251
1.37805303 12.39025351 -20.87665398
-0.00055455 -0.00001285 -0.00122081
-0.00102821 -0.01018231 -0.00160792
0.72601450 14.86639677 -22.28705457
0.00004684 -0.00023168 -0.00010755
-0.01971875 0.00188343 0.00059556
9.93077763 -6.99999111 0.07955265
-0.00062656 0.00008182 0.00117440
0.00694484 0.00812685 -0.00371296
9.38856727 -4.11998245 -0.54338362
0.00008465 -0.00076707 0.00152540
0.01299002 -0.00872422 0.01122441
-18.24468002 -5.48908017 6.65088956
-0.00024338 -0.00099201 -0.00035141
-0.00032938 -0.00555231 0.01543962
-18.75270193 -5.02679862 3.96217898
-0.00009017 0.00027475 0.00031376
-0.00584901 -0.00241155 -0.01785304
-14.44120215 -0.03545728 19.23583948
-0.00033375 0.00004143 0.00008334
0.00222336 -0.03473055 0.02240774
-14.47414178 -0.25352417 22.14081771
-0.00064689 0.00036255 -0.00020121
0.00083106 0.00024121 0.01161756
1.05173555 2.67976795 -2.61859452
-0.00034726 -0.00038242 -0.00030235
0.00688962 0.00806995 -0.01477184
1.96210186 2.60124677 -5.39665950
-0.00046456 0.00136468 -0.00095829
-0.00090572 -0.01135100 -0.00467376
21.31731136 -10.49197032 -6.26922411
-0.00062031 0.00056158 0.00101577
0.01426716 0.00732233 -0.02063673
22.72179892 -9.99839627 -3.51206428
-0.00049828 -0.00049794 -0.00133902
-0.01487368 -0.00356571 -0.02967072
4.73892907 -10.38375618 6.81616488
0.00081213 0.00022160 -0.00093397
-0.02383582 -0.00324888 0.01004548
3.40499190 -11.65529786 9.12229863
-0.00003224 0.00048530 0.00041724
-0.00428443 0.00794507 -0.00823021
-2.04994150 -3.40925031 -20.75191451
0.00030620 -0.00033659 0.00032717
0.00072399 0.02204320 0.01318759
-3.13511677 -2.05277409 -18.41199518
0.00055831 -0.00029542 0.00096722
-0.00485405 0.00133929 0.00810128
0.86329143 4.81829058 -10.46502680
0.00055947 -0.00034144 -0.00092049
-0.00550324 0.00080157 0.01320829
-1.19643950 3.25371505 -8.96983237
0.00076140 -0.00034879 0.00109772
-0.01444689 -0.00791036 0.06349796
-4.02010129 15.71435488 15.61741840
-0.00028872 0.00104422 0.00084029
0.00426848 0.00207531 0.00551223
-6.69576290 15.13766512 14.79393242
-0.00043098 0.00038059 -0.00073923
0.00014242 -0.00422079 0.00023828
-6.65648900 2.08444582 -6.04313047
0.00028786 0.00010403 0.00083021
0.00893620 -0.00236260 -0.00774378
-4.91100075 1.53760878 -8.41139921
-0.00048457 0.00025786 -0.00079831
-0.00807460 -0.00490206 -0.00735344
-9.92101819 -0.72248729 -3.81473134
-0.00015948 0.00031859 0.00031790
-0.01409061 -0.01379172 0.01269371
-9.68598366 2.18905624 -2.81920589
-0.00015653 -0.00083430 -0.00058512
-0.00672680 0.00610288 0.01118657
3.36500824 28.94528112 4.88939036
0.00045939 -0.00023519 0.00059596
0.00531363 0.01893492 -0.00807637
3.10724547 27.71129060 7.54605204
-0.00007494 0.00094667 0.00091219
0.00668538 0.01393488 0.03000629
8.06922635 -11.04281958 -1.19987161
0.00035381 -0.00042244 -0.00120528
-0.01871853 0.00068932 0.00068147
10.70945865 -11.40424531 0.02892752
-0.00009515 -0.00113104 -0.00033245
-0.00031056 -0.00652814 0.00816967
-5.42341465 -0.18099320 8.68074811
0.00040331 0.00026701 0.00016960
-0.01446285 0.03012082 0.01557165
-8.25265912 -0.02986442 9.02563253
-0.00086104 0.00022654 0.00009954
0.00478645 0.01318330 0.00765342
20.27658429 10.83318381 8.80358557
-0.00092748 -0.00061026 -0.00059226
-0.01150394 -0.00211247 -0.02666549
22.18048445 10.76327869 6.67141413
-0.00038086 -0.00028624 0.00009622
-0.05235767 0.00713583 0.00040714
-2.93753929 -0.13024987 -22.63646353
-0.00042544 0.00005194 0.00012365
0.00423886 -0.03336409 0.04937631
-4.79663687 1.45994275 -24.05971070
0.00161060 0.00000260 0.00042726
-0.03279986 0.00658760 -0.00346678
-12.37419713 9.99062201 9.56499234
0.00031436 -0.00009587 -0.00006020
-0.01289120 -0.02006464 -0.00269740
-13.52960003 9.36244160 7.05368611
-0.00057207 -0.00056494 0.00021884
-0.00724931 0.00493504 -0.01685702
-14.80726484 4.89883206 -4.38128645
-0.00037824 0.00036587 0.00006827
0.00630952 -0.00107754 -0.00537716
-13.63346989 7.59025674 -4.28851736
0.00018450 -0.00111768 -0.00059409
-0.00392668 0.01606539 -0.00724411
-4.32596557 -15.77149938 20.43975560
-0.00064490 -0.00069374 0.00039446
0.02156213 0.00114330 0.00325268
-1.81580804 -16.75690989 19.41791971
-0.00076330 0.00026053 -0.00019098
0.00110560 0.00739853 0.00203307
-5.47874025 6.17651732 -7.50958791
-0.00083339 -0.00006880 0.00037928
-0.00220554 -0.01710260 0.00368933
-7.39081340 8.31571539 -6.83497546
0.00015192 -0.00016217 0.00063371
0.00099798 0.00200019 -0.00164207
-20.88305880 28.98062863 0.99779769
0.00077728 0.00028771 0.00048944
0.01127907 0.00774215 -0.00835729
-18.02499232 29.55220595 0.27895775
0.00010272 0.00035749 -0.00062939
-0.00944101 -0.00316279 0.00966700
9.20377679 2.77396781 6.60155448
-0.00076860 -0.00076593 -0.00073536
-0.00283833 0.00000432 -0.00368553
9.19796562 5.47190059 7.81204647
0.00023856 0.00089842 0.00069350
-0.00992265 0.02878249 0.00347660
7.69121684 17.73133728 -12.31476914
-0.00011143 -0.00004372 0.00002230
0.01242890 0.01529508 -0.00919943
8.40584312 14.93522236 -12.29881168
0.00015499 -0.00007857 -0.00042169
0.00256301 -0.00039639 0.00238853
12.18773022 5.96066684 -1.16999236
0.00091196 -0.00015880 -0.00037472
-0.03175066 0.02548826 0.00621364
13.62328044 3.75338592 0.28085960
-0.00009334 -0.00060992 0.00028853
-0.00788274 0.01574622 -0.01055124
-4.52207330 10.50102288 -1.84773574
-0.00055074 -0.00093282 0.00020279
-0.01477523 0.02904468 -0.01252771
-6.99429811 10.72590906 -0.52171095
0.00083678 0.00020051 0.00008399
0.00106339 0.01943950 -0.01410742
7.45379911 14.41529401 5.01044879
0.00029202 0.00015078 0.00050770
0.01043945 -0.04285860 0.00274193
9.24545906 11.99684202 4.30312350
-0.00079185 0.00017160 0.00126501
-0.01422246 0.00643408 0.00698401
20.22214518 -13.06463440 -8.78538170
-0.00009003 0.00066339 -0.00034740
-0.00545231 -0.01057537 0.00453618
23.20932501 -12.60516044 -9.32301570
-0.00062400 -0.00047252 -0.00122574
-0.04675051 0.01067450 -0.00111702
19.69034573 -4.96402601 -2.56009105
-0.00062843 -0.00010318 0.00045931
0.00393134 -0.00065815 0.01476471
18.22115763 -6.91663952 -1.11622717
0.00070981 -0.00013550 0.00082655
0.01431002 -0.00089444 0.01176358
13.96573174 9.48315290 9.20937965
-0.00016253 -0.00056471 0.00058825
-0.00798842 0.00448247 -0.00602166
15.36229999 7.61398197 10.71819892
0.00090517 -0.00032585 0.00071193
0.00260269 0.00010224 -0.01657328
3.02886629 -14.96290389 17.40307002
0.00020409 -0.00069330 -0.00002557
-0.01139109 -0.04106520 0.01109065
3.14068551 -12.32779657 17.27108418
-0.00005338 0.00027199 -0.00036833
0.01219952 0.01216403 -0.01297517
-2.67740015 -3.72924399 -12.52543787
-0.00036197 -0.00024720 0.00005334
-0.00179825 -0.01458873 0.00724589
-0.75736144 -1.90714891 -13.81784949
-0.00048915 -0.00052721 -0.00111646
-0.02269700 0.00123274 0.00815161
15.82763543 -7.44702129 -15.00155340
-0.00065536 -0.00017437 0.00042003
0.00506953 -0.01001073 0.00972870
16.84641070 -8.25023399 -12.27233442
-0.00002115 0.00075030 -0.00074310
0.00604737 -0.00044802 -0.00167607
8.20100361 -3.36523352 5.84928721
0.00132484 0.00059840 -0.00004294
0.00257733 -0.00467982 -0.00507828
10.82507526 -4.60959325 5.20283110
0.00105519 -0.00035848 0.00042834
-0.01747791 0.01846799 0.01894310
-20.91438805 0.31559944 25.25412504
0.00089337 -0.00075904 -0.00053647
0.02847892 0.01701720 -0.01829608
-19.57870292 2.71778925 26.09896208
-0.00061917 -0.00004269 0.00026022
0.00402314 0.01514759 0.00468515
25.15368793 -2.63929229 -7.57557210
-0.00072824 0.00078097 -0.00034725
-0.00806247 0.01700973 0.01584268
23.58290248 -0.85423517 -9.14308837
0.00057484 0.00035223 0.00005160
0.00638184 0.00710540 0.01739000
12.01415931 -10.53168186 -9.58634021
0.00056407 -0.00127747 -0.00061792
0.00748706 0.00297909 0.01182871
12.93815898 -9.28348337 -12.18618909
0.00001384 0.00093132 -0.00038893
-0.00322241 0.00086906 0.01005320
-7.42708063 -10.77409227 17.35988432
-0.00116977 0.00007661 -0.00057405
0.01700773 0.00299274 0.00526854
-10.12451447 -10.21116125 17.69815212
0.00041185 0.00110195 -0.00013369
0.00199262 -0.00846768 -0.01649095
8.13344024 1.26582846 -29.36681189
0.00041867 -0.00071272 -0.00044710
0.01739549 0.00807031 -0.01175009
5.40187931 0.82696622 -28.39624869
-0.00000701 0.00021052 -0.00023342
0.01879666 0.00858944 0.00555285
13.96744758 19.30901566 13.66423101
-0.00067458 -0.00045497 -0.00055655
0.01908251 0.01352641 0.01431296
13.38242096 17.75820654 11.41783580
0.00106142 0.00014223 0.00044851
0.01383282 -0.01819420 -0.02750571
27.87244409 7.81373200 -11.52898662
0.00001809 0.00013166 -0.00011734
-0.02340901 -0.00438481 -0.00394440
26.14494488 7.65568447 -9.24253456
0.00041657 0.00012681 -0.00026625
-0.00141117 0.00040324 0.01503094
-7.82234988 4.72797679 6.16656628
0.00010150 0.00001285 0.00012213
-0.00269950 -0.00307281 0.00322767
-10.28002772 9.11598267 3.07286911
0.00029448 -0.00011069 0.00024967
0.00913016 -0.00202478 0.00656730
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.07631804
0.29158573
388.52336120
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0599563953
ExchangeOperator: pair fraction: ispin=0: 0.1497674419
ExchangeOperator: bisection time: 1.421 s
total exchange = -52.3718433936 (a.u.)
total exchange computation time: 2.9521610737 s
-154.1017404364
-931.36859052
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0599563953
ExchangeOperator: pair fraction: ispin=0: 0.1497674419
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3714943102 (a.u.)
total exchange computation time: 2.9507491589 s
-154.1060832551
Anderson extrapolation: theta=1.3576703074 (1.3576703074)
-931.36882675
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0599563953
ExchangeOperator: pair fraction: ispin=0: 0.1497674419
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.3709544850 (a.u.)
total exchange computation time: 2.9521889687 s
-154.1124239794
Anderson extrapolation: theta=0.0563597376 (0.0563597376)
-931.36897165
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0599563953
ExchangeOperator: pair fraction: ispin=0: 0.1497674419
ExchangeOperator: bisection time: 1.427 s
total exchange = -52.3708730867 (a.u.)
total exchange computation time: 2.9517471790 s
-154.1131767517
Anderson extrapolation: theta=2.0695328876 (2.0000000000)
-931.36897821
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0599563953
ExchangeOperator: pair fraction: ispin=0: 0.1497674419
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.3707023854 (a.u.)
total exchange computation time: 2.9547522068 s
-154.1147175769
Anderson extrapolation: theta=0.2792406409 (0.2792406409)
-931.36898600
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0599563953
ExchangeOperator: pair fraction: ispin=0: 0.1497674419
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3706621589 (a.u.)
total exchange computation time: 2.9505319595 s
-154.1150694186
Anderson extrapolation: theta=1.6485551167 (1.6485551167)
-931.36898776
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0599563953
ExchangeOperator: pair fraction: ispin=0: 0.1497674419
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3706217740 (a.u.)
total exchange computation time: 2.9522750378 s
-154.1154320832
Anderson extrapolation: theta=0.3404228069 (0.3404228069)
-931.36898966
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0599563953
ExchangeOperator: pair fraction: ispin=0: 0.1497674419
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3706327946 (a.u.)
total exchange computation time: 2.9526548386 s
-154.1153522002
Anderson extrapolation: theta=1.1313449566 (1.1313449566)
-931.36899012
65.653921 -17.402003 -167.016375
561.053946 1074.417745 -407.152935
626.707868 1057.015741 -574.169309
1356.361097
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0599563953
ExchangeOperator: pair fraction: ispin=0: 0.1497674419
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3706624278 (a.u.)
total exchange computation time: 2.9503989220 s
678.75867420
-1083.90076996
89.86188659
-388.93072897
-174.78738978
78.33020658
551.60419304
0.00000000
-931.36899035
4.55172294 -31.00116637 -3.48289143
-0.00001533 -0.00031447 -0.00002825
0.00479009 -0.00638086 -0.01374016
-11.67023457 2.13694288 -9.26953512
0.00038571 0.00011032 0.00021328
-0.00978254 -0.00430903 0.00036672
-36.19274254 1.43868210 3.15460715
0.00003023 0.00015985 0.00018350
-0.01619487 -0.07285623 0.03301678
-7.41228732 -3.46424686 2.63685626
0.00019586 0.00005316 0.00004845
0.01943624 0.00054516 0.01468014
2.24443384 0.02703641 9.07224100
-0.00008359 -0.00014618 0.00026169
0.01109964 -0.00042817 -0.02977103
-31.09512060 1.53096759 2.57319834
0.00003842 0.00026695 -0.00013922
0.05157135 0.02314351 0.00110759
16.83836246 13.16588438 -18.31772564
-0.00001291 -0.00002579 -0.00034506
-0.01012964 -0.04092003 0.00609071
-3.45038355 5.07507456 5.49146884
-0.00001671 -0.00013695 -0.00024682
-0.00603827 0.00143539 0.01292442
5.69370857 17.05519052 -7.02742217
-0.00025999 -0.00008813 -0.00025763
-0.02909761 -0.03452383 -0.04701187
7.23323416 5.76693528 -20.84612988
0.00001068 0.00013401 0.00029642
0.02005339 0.02096824 -0.00034734
18.60195486 19.57061391 -5.15908742
0.00005519 -0.00006220 -0.00003573
0.02956793 0.03059030 -0.01462386
1.96197154 14.06574359 -21.23969177
0.00010903 0.00038409 -0.00005103
0.01703300 0.00853331 0.00985403
10.53197660 -5.28548922 0.42973149
0.00013901 0.00008531 -0.00009889
-0.01563815 -0.00374733 -0.00610931
-17.83637560 -4.31355592 5.34614835
0.00063743 -0.00040136 -0.00002038
0.00596859 0.00276560 0.00569714
-14.29735717 -1.34605543 20.69879925
-0.00005277 0.00005917 0.00012530
-0.00411481 0.03190687 -0.03831016
1.60400662 3.73832404 -4.04675128
0.00002716 -0.00014102 -0.00014092
-0.00758419 0.00294827 0.02398881
21.24111073 -10.59560612 -4.48357731
0.00000776 0.00012641 0.00007808
-0.00520843 -0.00062591 0.05622229
3.06655955 -10.49562472 7.70805218
-0.00000636 -0.00025390 -0.00025303
0.03105286 -0.00539603 -0.00872055
-1.96031472 -1.76853191 -19.75825045
-0.00016172 -0.00001951 -0.00046844
0.00398838 -0.02815271 -0.01501594
-0.60351423 3.72621671 -10.51185759
-0.00041395 0.00030728 -0.00033508
0.02010572 0.01252178 -0.06345491
-4.95360023 14.72976371 14.42461609
0.00009234 0.00008470 -0.00025407
-0.00215224 0.00739699 -0.00283330
-5.31024352 2.77510945 -7.15496817
0.00018738 0.00007502 0.00029453
-0.00566929 0.00006170 0.01398030
-9.24000500 0.90763446 -4.01619898
0.00011681 0.00026936 0.00001589
0.03090920 -0.00192954 -0.03924835
2.86616726 27.49460251 5.80855719
-0.00008578 -0.00005382 -0.00023244
-0.00995312 -0.02570496 -0.00509963
9.82067001 -10.84259146 -1.46835765
-0.00045571 0.00001655 0.00009269
0.02110897 0.01685900 -0.02019505
-6.77353848 1.06126440 9.28758057
0.00003870 -0.00002788 -0.00004774
0.00758080 -0.04397880 -0.02273601
20.17250202 10.78033294 6.90107200
-0.00004407 -0.00012118 0.00004371
0.07055015 -0.00775735 0.02401797
-3.09049063 1.04483241 -23.91592054
-0.00012783 -0.00004096 -0.00024784
0.04529266 0.02438652 -0.04113989
-13.55540877 8.70777314 8.72531462
0.00025589 -0.00020512 0.00019387
0.00635942 0.00357413 0.02431098
-13.63060439 5.98876355 -3.49667629
-0.00018786 -0.00014032 -0.00031146
0.00258679 -0.02111648 0.01347733
-2.48586948 -15.45629418 20.53142091
-0.00026613 -0.00011604 0.00000228
-0.03390855 -0.00742289 0.00116083
-5.95915476 7.88222504 -7.88856379
0.00019848 0.00045352 0.00007136
0.00182891 0.00858469 -0.00783215
-19.59570329 30.29246256 0.88977339
0.00015312 -0.00026532 -0.00011029
-0.00372491 0.00496184 0.00340716
9.85886934 3.81617853 7.94280164
0.00013523 -0.00005506 0.00001232
0.01323553 -0.03309714 -0.00450631
7.26985836 16.16611065 -11.57533840
-0.00000206 0.00026311 0.00012787
-0.01355451 -0.02427910 0.00607266
13.52833016 4.84657822 -1.26586524
-0.00033395 -0.00036860 -0.00004956
0.05219588 -0.04442054 0.00926838
-6.04374467 11.66758388 -1.83655612
0.00015923 0.00024850 0.00054543
0.02780536 -0.04623616 0.02585559
7.72447079 12.52667924 5.27637413
-0.00011589 -0.00012317 -0.00008787
-0.00275456 0.04673486 -0.00986366
21.42074674 -11.89356517 -9.44754690
-0.00059465 0.00013881 0.00029709
0.04688559 0.00746697 -0.01441793
19.72805533 -5.83649747 -0.88848809
-0.00025597 0.00020279 0.00034914
-0.01337146 0.00475740 -0.02571037
14.99898499 8.02180656 8.91835617
0.00044059 0.00002473 0.00028174
0.00987355 -0.00936270 0.03129419
3.83446844 -13.77192894 16.36323065
-0.00004951 0.00004444 -0.00005667
-0.00032060 0.02083042 -0.00311220
-2.59414011 -2.27984511 -13.57635783
0.00011080 0.00025679 0.00019627
0.01665218 0.01047829 -0.01246723
15.50691967 -7.41870264 -13.16818663
0.00001195 -0.00011389 -0.00002944
-0.01900189 0.01060577 -0.00806561
9.82023221 -3.80057059 6.57868016
0.00002673 -0.00014756 -0.00040900
0.02402348 -0.01277158 -0.01441214
-19.40464890 1.42130350 24.83106530
-0.00015101 -0.00008313 -0.00003261
-0.03430260 -0.03501122 0.00943500
24.09287909 -1.06462234 -7.35513025
-0.00025400 0.00014872 0.00004653
0.00688041 -0.02010069 -0.03155392
11.64182595 -10.35650062 -11.35641090
0.00005972 0.00034817 0.00001541
0.00307372 0.01218834 -0.01773639
-8.92822881 -10.67819500 16.33440614
-0.00015922 0.00017122 -0.00031532
-0.03974993 0.00773691 0.00135617
7.05713990 1.59129983 -27.93161464
0.00026327 -0.00003333 -0.00000531
-0.03919262 -0.01763013 0.00327302
12.61847508 18.55512630 12.78915652
-0.00006659 -0.00028504 -0.00022408
-0.03568043 -0.00006355 0.01113362
26.03239975 7.55046669 -11.06639005
0.00010415 -0.00001414 0.00009804
0.03350709 0.00155176 -0.01106409
5.08122440 -29.88185162 -4.87077165
-0.00028634 0.00024741 0.00023820
-0.00333317 0.00149848 0.00793294
3.91498543 -29.97267387 -2.13351458
-0.00052755 -0.00009729 0.00035839
0.00101508 0.00151424 0.00733243
-9.99041647 2.47495014 -8.69704684
-0.00085619 0.00047860 -0.00012380
0.00446546 0.00103735 -0.00139036
-11.80886140 2.55474467 -11.04887803
0.00005416 0.00009306 0.00034170
0.00256503 0.00443336 -0.00221531
-36.68769568 3.14106138 3.01515423
0.00037844 -0.00066368 0.00024228
-0.01636521 0.03814833 -0.01402471
-37.71148028 0.46289648 3.81097984
-0.00035453 0.00064552 -0.00070362
0.02870250 0.02588499 -0.01997391
-8.73711379 -3.96469006 1.51175069
-0.00084089 0.00049875 0.00050660
-0.01623662 -0.00828965 -0.01083082
-6.41488943 -4.98724899 2.86137813
-0.00029859 -0.00031616 0.00019032
-0.00302018 0.00133357 -0.00063409
2.95134356 -0.08325881 7.33241124
0.00053054 0.00001443 -0.00063576
-0.00778930 -0.00024386 0.02558225
1.60795333 1.74325621 9.24250270
-0.00019014 -0.00084268 -0.00027087
-0.00483026 -0.00762577 0.00189220
-29.91915860 0.14502497 2.85894610
-0.00079537 0.00045866 0.00048833
-0.01079807 -0.00539679 -0.00321694
-32.75943146 0.98485245 2.77040108
-0.00031981 -0.00028021 0.00016347
-0.03864673 -0.01663991 0.00602629
15.70255286 11.58290603 -18.49881202
-0.00028266 -0.00089512 -0.00024799
0.02758513 0.04285528 0.00681326
18.42393188 12.48200984 -17.50110985
-0.00063639 0.00068265 -0.00097243
-0.02364050 0.00562633 -0.00533259
-2.89318363 6.68479745 6.14423982
0.00021134 -0.00016200 -0.00006395
-0.00134321 0.00607295 0.00845791
-2.81993944 5.13021160 3.83031980
0.00024722 -0.00034434 0.00077822
0.00844600 -0.00446005 -0.02533641
6.22549638 16.41611238 -8.84202949
0.00092163 -0.00019187 0.00049115
-0.00432680 0.01505475 0.03463269
7.00435655 18.10222673 -6.52389173
0.00014789 -0.00008874 0.00138444
0.03291363 0.02262439 0.01273576
7.83459606 5.41854608 -22.53175128
0.00030237 0.00083845 -0.00067903
-0.01452006 -0.01740792 -0.02857954
8.63449261 6.97440040 -20.71694025
-0.00015734 0.00041069 0.00021497
-0.00633494 0.00872901 0.02965057
19.28563430 21.18872782 -4.35449570
-0.00077742 -0.00054540 -0.00066270
-0.02079445 -0.02545211 0.00320650
19.48858470 19.76515624 -6.78258227
0.00045261 0.00022805 -0.00029150
-0.00742548 -0.01211369 0.01215270
1.36970335 12.38974872 -20.89501546
-0.00055514 -0.00004974 -0.00122733
0.00073621 -0.00787406 -0.00157938
0.72611282 14.86297923 -22.28864956
-0.00003489 -0.00022059 -0.00010734
-0.02028732 0.00354567 -0.00049393
9.92159200 -6.99851473 0.09705492
-0.00059764 0.00011474 0.00115903
0.00721319 0.00798415 -0.00381141
9.39023509 -4.13175583 -0.52015872
0.00012896 -0.00079336 0.00156266
0.00869983 -0.00414423 0.00701464
-18.24834085 -5.50413041 6.64609156
-0.00024275 -0.00101033 -0.00029172
0.00063923 -0.00341604 0.01377773
-18.75423378 -5.02275132 3.96633837
-0.00011492 0.00026485 0.00023817
-0.00626624 -0.00243256 -0.01915089
-14.44614022 -0.03590009 19.23777618
-0.00032444 -0.00010042 0.00017428
0.00233016 -0.03470468 0.02210691
-14.48381959 -0.24807848 22.13815551
-0.00064338 0.00036304 -0.00015391
0.00088436 -0.00000201 0.01153952
1.04673777 2.67427894 -2.62358236
-0.00031846 -0.00034944 -0.00036498
0.00720597 0.00807433 -0.01588690
1.95510569 2.62136914 -5.41117703
-0.00046720 0.00131309 -0.00098116
-0.00038411 -0.01390204 -0.00652129
21.30844389 -10.48332217 -6.25461999
-0.00056233 0.00059200 0.00091554
0.01411436 0.00756491 -0.02842644
22.71386901 -10.00597463 -3.53305883
-0.00054479 -0.00050634 -0.00144934
-0.00789527 -0.00054685 -0.02433181
4.75038061 -10.38053172 6.80246321
0.00070479 0.00020640 -0.00088626
-0.02870930 -0.00419363 0.01330461
3.40437701 -11.64777497 9.12830505
-0.00004871 0.00051808 0.00038225
-0.00377934 0.00810133 -0.00889928
-2.04532633 -3.41362367 -20.74660278
0.00030825 -0.00024795 0.00037946
0.00028109 0.02134401 0.01240468
-3.12689085 -2.05716440 -18.39723859
0.00054542 -0.00028835 0.00099165
-0.00145388 0.00212219 0.00385557
0.87151479 4.81319356 -10.47842936
0.00053298 -0.00034136 -0.00086658
-0.00746225 -0.00076319 0.01317965
-1.18546124 3.24824078 -8.95142080
0.00071278 -0.00037453 0.00133366
-0.00935115 -0.00468693 0.05199789
-4.02430134 15.73008175 15.63019162
-0.00028006 0.00104331 0.00085124
-0.00002655 -0.00252081 -0.00015239
-6.70222324 15.14324469 14.78285133
-0.00042383 0.00036152 -0.00073968
0.00335596 -0.00511586 -0.00045925
-6.65189723 2.08593387 -6.03091458
0.00032599 0.00009471 0.00079611
0.00972840 -0.00219861 -0.00894884
-4.91851676 1.54132644 -8.42359912
-0.00051992 0.00024349 -0.00082242
-0.00922775 -0.00213154 -0.00445216
-9.92384210 -0.71813110 -3.80957393
-0.00021565 0.00026418 0.00036857
-0.01340817 -0.01284016 0.01211124
-9.68853771 2.17672868 -2.82763987
-0.00018836 -0.00079668 -0.00052807
-0.00885300 0.01231337 0.01673974
3.37206197 28.94233343 4.89808226
0.00048311 -0.00015241 0.00055799
0.00629566 0.02159090 -0.01050842
3.10632625 27.72591773 7.56065438
-0.00005158 0.00099910 0.00101108
0.00474695 0.01172924 0.01840219
8.07395994 -11.04913500 -1.21792994
0.00026145 -0.00042209 -0.00119947
-0.02649171 -0.00051918 0.00216522
10.70802187 -11.42141091 0.02419116
-0.00009900 -0.00115670 -0.00030113
-0.00157492 -0.00603414 0.00715988
-5.41780823 -0.17606511 8.68376927
0.00034241 0.00038861 0.00023260
-0.01534728 0.02940572 0.01526913
-8.26542812 -0.02606234 9.02736009
-0.00083359 0.00028357 0.00013118
0.00865235 0.01473079 0.00783723
20.26231957 10.82396522 8.79388462
-0.00097321 -0.00061844 -0.00069297
-0.01088087 -0.00189247 -0.02263644
22.17316713 10.75920372 6.67286986
-0.00059221 -0.00025692 0.00009798
-0.05109954 0.00721675 0.00045629
-2.94379103 -0.13049309 -22.63309571
-0.00040750 -0.00008033 0.00032092
0.00454246 -0.03138397 0.04718638
-4.77348296 1.46018368 -24.05340798
0.00144361 0.00003896 0.00040990
-0.04894176 0.01121073 -0.00503471
-12.36987670 9.98856915 9.56400669
0.00026234 -0.00017690 -0.00007127
-0.01257213 -0.01960166 -0.00271976
-13.53840329 9.35411877 7.05645218
-0.00060134 -0.00054373 0.00014813
-0.00707696 0.00544380 -0.01775806
-14.81274514 4.90428703 -4.38042712
-0.00035560 0.00035743 0.00004427
0.00477639 -0.00305329 -0.00637498
-13.63082276 7.57398385 -4.29765071
0.00016910 -0.00103957 -0.00062926
-0.00361188 0.02216982 -0.00997019
-4.33497838 -15.78187047 20.44577221
-0.00055179 -0.00068759 0.00040826
0.02401575 0.00186975 0.00349925
-1.82722359 -16.75277518 19.41511731
-0.00075601 0.00028717 -0.00018575
0.00245895 0.00564142 0.00052622
-5.49130869 6.17496118 -7.50378572
-0.00084153 -0.00013468 0.00039201
-0.00177678 -0.01514638 0.00254345
-7.38850407 8.31334411 -6.82552016
0.00015811 -0.00015307 0.00062423
0.00203484 0.00245695 -0.00299866
-20.87105397 28.98518153 1.00488315
0.00081516 0.00031010 0.00045565
0.00726194 0.00321846 -0.00818215
-18.02374086 29.55747136 0.26981315
0.00006528 0.00034330 -0.00059008
-0.00888483 -0.00378116 0.00957430
9.19216084 2.76247893 6.59041115
-0.00077346 -0.00075313 -0.00073620
0.00045809 0.00626347 0.00327505
9.20124002 5.48625883 7.82255555
0.00020274 0.00100237 0.00070778
-0.00761346 0.02210414 0.00351393
7.68992628 17.73115012 -12.31471660
-0.00005999 0.00002253 -0.00001680
0.01275210 0.01713603 -0.00993888
8.40824644 14.93403163 -12.30506379
0.00015996 -0.00007432 -0.00040812
-0.00012841 0.00247585 0.00425268
12.20043672 5.95906590 -1.17542271
0.00077005 -0.00004416 -0.00034755
-0.03771816 0.03062644 0.00708558
13.62163881 3.74471968 0.28486428
-0.00012662 -0.00054255 0.00024157
-0.00840973 0.01722928 -0.01243994
-4.53078709 10.48792053 -1.84507781
-0.00061028 -0.00081210 0.00015051
-0.01437482 0.03004874 -0.01306146
-6.98171386 10.72951244 -0.52088346
0.00083479 0.00027688 0.00003322
-0.00203652 0.01794268 -0.01074400
7.45849931 14.41624233 5.01814833
0.00033429 -0.00002488 0.00051868
0.01025048 -0.04312751 0.00263064
9.23314550 11.99961321 4.32231264
-0.00083596 0.00019308 0.00128397
-0.00737072 0.00408044 0.00229866
20.22062770 -13.05500755 -8.79045371
-0.00012227 0.00061000 -0.00032329
-0.01033057 -0.01555980 0.00726819
23.19853240 -12.61192118 -9.34143610
-0.00081553 -0.00042826 -0.00122906
-0.04700485 0.01099339 -0.00050726
19.68103972 -4.96559391 -2.55274893
-0.00061207 -0.00010432 0.00051724
0.00407893 0.00009972 0.01359235
18.23224324 -6.91869941 -1.10346852
0.00076079 -0.00014417 0.00087358
0.01064711 -0.00335104 0.01126141
13.96304899 9.47481956 9.21801895
-0.00019580 -0.00054519 0.00056422
-0.00829545 0.00507476 -0.00574482
15.37595726 7.60909732 10.72836995
0.00091406 -0.00032315 0.00063795
0.00175048 0.00122089 -0.01964028
3.03157853 -14.97456175 17.40302633
0.00016109 -0.00085312 0.00001523
-0.00965514 -0.03716703 0.00888004
3.14025866 -12.32334401 17.26516167
-0.00000376 0.00031928 -0.00042077
0.01208797 0.01098443 -0.01269799
-2.68288482 -3.73339896 -12.52441572
-0.00036807 -0.00030120 0.00007880
-0.00118945 -0.01184756 0.00521419
-0.76539426 -1.91501935 -13.83434659
-0.00057559 -0.00052201 -0.00108264
-0.01961470 0.00131614 0.00840400
15.81796040 -7.44994362 -14.99495484
-0.00063328 -0.00021489 0.00045218
0.00573968 -0.00982350 0.00600939
16.84627871 -8.23899326 -12.28353225
0.00001284 0.00074223 -0.00074324
0.01059425 -0.00350230 0.00160495
8.22095523 -3.35640093 5.84848746
0.00132078 0.00058284 -0.00007193
-0.00456839 -0.00293549 -0.00911242
10.84036749 -4.61440453 5.20983668
0.00098195 -0.00028228 0.00050471
-0.01837252 0.01883324 0.01843978
-20.90011488 0.30473526 25.24551735
0.00100393 -0.00069213 -0.00060929
0.02564432 0.01573891 -0.01735122
-19.58786726 2.71761306 26.10300889
-0.00060271 0.00001572 0.00027615
0.00403523 0.01344548 0.00311305
25.14251732 -2.62705645 -7.58029545
-0.00075594 0.00084280 -0.00028209
-0.00549648 0.01325329 0.01605435
23.59172060 -0.84873403 -9.14178143
0.00059884 0.00038250 0.00011939
0.00536587 0.00771382 0.01579281
12.02284980 -10.55075264 -9.59524657
0.00059624 -0.00126482 -0.00056472
0.00826193 0.00321221 0.01421565
12.93826789 -9.26948689 -12.19171492
-0.00000215 0.00093081 -0.00034426
-0.00460766 -0.00111925 0.01180924
-7.44410606 -10.77285143 17.35143501
-0.00108615 0.00008755 -0.00054550
0.02392545 0.00236297 0.00870490
-10.11827566 -10.19489144 17.69564143
0.00041787 0.00106712 -0.00020155
0.00095523 -0.00858522 -0.01672689
8.14025333 1.25538489 -29.37387841
0.00048479 -0.00067775 -0.00048783
0.01496971 0.00905117 -0.00819097
5.40235019 0.83038721 -28.39957984
0.00007143 0.00024623 -0.00020971
0.01959812 0.00889100 0.00605348
13.95791363 19.30260563 13.65632138
-0.00058802 -0.00039292 -0.00048979
0.02329050 0.01684673 0.01836332
13.39876620 17.75978249 11.42372062
0.00111795 0.00006564 0.00033277
0.01383871 -0.01929869 -0.02915261
27.87199815 7.81557250 -11.53086762
-0.00007698 0.00011377 -0.00013373
-0.02313126 -0.00436919 -0.00407649
26.15115017 7.65759904 -9.24606773
0.00041043 0.00012866 -0.00019971
-0.00159578 0.00049949 0.01754332
-7.82083461 4.72816122 6.16840695
0.00010052 0.00001177 0.00012329
-0.00277112 -0.00295853 0.00321382
-10.27559462 9.11431882 3.07662560
0.00029661 -0.00011115 0.00025118
0.00919689 -0.00191906 0.00643952
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.07591641
0.29307394
390.50632548
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0599563953
ExchangeOperator: pair fraction: ispin=0: 0.1497674419
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.3813793624 (a.u.)
total exchange computation time: 2.9505951405 s
-154.1334138740
-931.36961184
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0599563953
ExchangeOperator: pair fraction: ispin=0: 0.1497674419
ExchangeOperator: bisection time: 1.422 s
total exchange = -52.3808909529 (a.u.)
total exchange computation time: 2.9504168034 s
-154.1386491475
Anderson extrapolation: theta=1.3548578125 (1.3548578125)
-931.36984801
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0599563953
ExchangeOperator: pair fraction: ispin=0: 0.1497674419
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.3801224022 (a.u.)
total exchange computation time: 2.9512410164 s
-154.1463433273
Anderson extrapolation: theta=0.0551990301 (0.0551990301)
-931.36999220
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0599563953
ExchangeOperator: pair fraction: ispin=0: 0.1497674419
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.3799947134 (a.u.)
total exchange computation time: 2.9553639889 s
-154.1472965289
Anderson extrapolation: theta=2.0305601655 (2.0000000000)
-931.36999860
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0599563953
ExchangeOperator: pair fraction: ispin=0: 0.1497674419
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3797124083 (a.u.)
total exchange computation time: 2.9506819248 s
-154.1493141453
Anderson extrapolation: theta=0.2529449352 (0.2529449352)
-931.37000621
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0599563953
ExchangeOperator: pair fraction: ispin=0: 0.1497674419
ExchangeOperator: bisection time: 1.427 s
total exchange = -52.3796336602 (a.u.)
total exchange computation time: 2.9514009953 s
-154.1498082116
Anderson extrapolation: theta=1.7537751326 (1.7537751326)
-931.37000792
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0599563953
ExchangeOperator: pair fraction: ispin=0: 0.1497674419
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3795160079 (a.u.)
total exchange computation time: 2.9533038139 s
-154.1504796738
Anderson extrapolation: theta=0.3019528260 (0.3019528260)
-931.37001007
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0599563953
ExchangeOperator: pair fraction: ispin=0: 0.1497674419
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3795020803 (a.u.)
total exchange computation time: 2.9508428574 s
-154.1504918034
Anderson extrapolation: theta=1.2122630269 (1.2122630269)
-931.37001064
65.649426 -17.425854 -166.980563
560.992249 1074.417760 -407.189795
626.641675 1056.991905 -574.170357
1356.312381
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0599563953
ExchangeOperator: pair fraction: ispin=0: 0.1497674419
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.3795019426 (a.u.)
total exchange computation time: 2.9507157803 s
678.88773100
-1084.18892954
89.85616298
-388.73530727
-174.81016635
78.49001694
551.60419304
0.00000000
-931.37001113
4.55151153 -31.00590801 -3.48336812
-0.00001327 -0.00031689 -0.00003448
0.00319244 -0.00303091 -0.01049575
-11.66448672 2.13858105 -9.26633444
0.00037831 0.00010755 0.00021276
-0.01896497 -0.00646461 -0.00241418
-36.19235158 1.44079886 3.15748694
0.00002258 0.00012097 0.00020049
-0.01356370 -0.07833032 0.03307529
-7.40927440 -3.46344729 2.63763970
0.00020523 0.00005324 0.00005557
0.01697270 -0.00025173 0.01298647
2.24322278 0.02484199 9.07605153
-0.00007674 -0.00014762 0.00024480
0.01553537 -0.00513823 -0.03593366
-31.09434540 1.53506108 2.57111430
0.00006264 0.00027889 -0.00013854
0.04261596 0.02329249 0.00152313
16.83812967 13.16533970 -18.32287811
-0.00001984 -0.00004699 -0.00034259
-0.01678786 -0.04153480 0.00353360
-3.45065753 5.07302583 5.48781638
-0.00002042 -0.00013597 -0.00023826
-0.00836054 0.00236323 0.02035893
5.68969642 17.05373539 -7.03146791
-0.00027324 -0.00010445 -0.00028068
-0.02242943 -0.02892223 -0.04263838
7.23347171 5.76902630 -20.84168488
0.00002157 0.00014455 0.00029462
0.02228751 0.02002590 -0.00666114
18.60289675 19.56979886 -5.15967985
0.00007025 -0.00004744 -0.00004450
0.02897987 0.02683616 -0.01945001
1.96367271 14.07153791 -21.24041927
0.00011735 0.00038745 -0.00004578
0.01533548 0.00453812 0.01057962
10.53400137 -5.28422398 0.42822452
0.00013219 0.00008207 -0.00010087
-0.01086062 -0.00884817 -0.00158050
-17.82679106 -4.31956565 5.34586470
0.00064019 -0.00040061 -0.00001678
0.00475046 0.00015725 0.00827326
-14.29816457 -1.34504477 20.70053102
-0.00005492 0.00007559 0.00010589
-0.00426608 0.03193293 -0.03718869
1.60438474 3.73622013 -4.04877258
0.00002317 -0.00013887 -0.00012806
-0.00794411 0.00542629 0.02601540
21.24120699 -10.59371232 -4.48218925
0.00000307 0.00012517 0.00010720
-0.01300297 -0.00420049 0.05702184
3.06658387 -10.49945401 7.70422303
0.00001052 -0.00025642 -0.00025814
0.03460609 -0.00440559 -0.01113601
-1.96272506 -1.76893310 -19.76533501
-0.00016042 -0.00003384 -0.00047473
0.00105953 -0.02757668 -0.00942544
-0.60964596 3.73087417 -10.51712857
-0.00040457 0.00031307 -0.00036422
0.01638522 0.00999105 -0.04985014
-4.95222343 14.73106281 14.42079404
0.00009147 0.00008989 -0.00025400
-0.00123730 0.01274949 0.00314183
-5.30745462 2.77623497 -7.15049625
0.00018458 0.00007435 0.00030116
-0.00523581 -0.00266952 0.01178632
-9.23813363 0.91166737 -4.01611197
0.00013291 0.00026631 -0.00000549
0.03170021 -0.00992611 -0.04391446
2.86484215 27.49369603 5.80505093
-0.00009062 -0.00006693 -0.00023157
-0.00886382 -0.02526341 0.00846279
9.81391584 -10.84227818 -1.46704527
-0.00044267 0.00002539 0.00008240
0.02958310 0.01750269 -0.01979800
-6.77292880 1.06067652 9.28677678
0.00004179 -0.00005047 -0.00005929
0.00444699 -0.04386980 -0.02218765
20.17211317 10.77848535 6.90182025
-0.00000854 -0.00012524 0.00005485
0.06761136 -0.00803802 0.01931613
-3.09223333 1.04431214 -23.91979688
-0.00010066 -0.00003046 -0.00026758
0.06036328 0.01642290 -0.03562373
-13.55154586 8.70471014 8.72831641
0.00025899 -0.00020350 0.00020635
0.00570136 0.00272784 0.02421566
-13.63341231 5.98657735 -3.50129620
-0.00018623 -0.00015201 -0.00030361
0.00374329 -0.02435348 0.01704229
-2.48999220 -15.45806338 20.53145962
-0.00028437 -0.00011952 0.00000325
-0.03701638 -0.00612923 0.00258896
-5.95617051 7.88906100 -7.88752358
0.00019911 0.00045708 0.00006797
0.00063657 0.00523040 -0.00535516
-19.59342091 30.28850185 0.88813217
0.00015209 -0.00026133 -0.00010857
-0.00026842 0.01056070 0.00327015
9.86094880 3.81522495 7.94296903
0.00014066 -0.00007168 0.00000843
0.00787532 -0.03152588 -0.01062830
7.26977511 16.16996367 -11.57339687
-0.00000835 0.00024963 0.00013060
-0.01090655 -0.02816007 0.00454662
13.52352231 4.84087781 -1.26657282
-0.00030591 -0.00039257 -0.00004459
0.05682373 -0.04876982 0.01004830
-6.04124898 11.67113300 -1.82827497
0.00017406 0.00022507 0.00055776
0.02985320 -0.04487502 0.02211188
7.72272182 12.52501193 5.27501807
-0.00011918 -0.00009861 -0.00009161
-0.01003897 0.04877087 -0.00468151
21.41200789 -11.89145416 -9.44314618
-0.00056951 0.00014382 0.00028883
0.05085834 0.01200335 -0.01768816
19.72416424 -5.83343730 -0.88335009
-0.00026185 0.00020562 0.00033644
-0.00949524 0.00625143 -0.02368035
15.00563199 8.02214134 8.92270291
0.00044587 0.00001963 0.00029839
0.01062291 -0.01044952 0.03348551
3.83372455 -13.77118195 16.36236865
-0.00005016 0.00005416 -0.00005762
-0.00219872 0.01695189 -0.00061529
-2.59241395 -2.27595279 -13.57346194
0.00011815 0.00026122 0.00019043
0.01194659 0.00672015 -0.01024195
15.50702564 -7.42037008 -13.16865930
0.00000089 -0.00010773 -0.00003340
-0.02400523 0.01334138 -0.00733857
9.82072588 -3.80283326 6.57248963
0.00004109 -0.00015464 -0.00041506
0.03181882 -0.01477459 -0.00915474
-19.40704634 1.41992149 24.83061247
-0.00016769 -0.00010012 -0.00002758
-0.03055185 -0.03105793 0.01012922
24.08909569 -1.06246905 -7.35455401
-0.00025097 0.00013932 0.00003075
0.00488980 -0.01645476 -0.02981893
11.64273366 -10.35123100 -11.35624810
0.00006143 0.00035473 0.00000543
0.00355931 0.01332023 -0.02107832
-8.93077042 -10.67559681 16.32968158
-0.00018089 0.00017535 -0.00031536
-0.04453374 0.00831793 -0.00152121
7.06093780 1.59073189 -27.93168165
0.00024370 -0.00004267 -0.00000467
-0.03690880 -0.01871308 -0.00080201
12.61733860 18.55085052 12.78583831
-0.00008561 -0.00028569 -0.00021915
-0.03826415 -0.00246583 0.00803862
26.03409131 7.55026064 -11.06496209
0.00012117 -0.00001337 0.00009192
0.03264454 0.00141631 -0.01276114
5.07682715 -29.87809460 -4.86695562
-0.00029990 0.00025264 0.00027021
-0.00330331 0.00106125 0.00773808
3.90710326 -29.97408675 -2.12791407
-0.00052025 -0.00009710 0.00038170
0.00255979 -0.00142252 0.00407764
-10.00312247 2.48216086 -8.69894637
-0.00081873 0.00048670 -0.00012250
0.01387214 0.00293131 0.00202279
-11.80797045 2.55627635 -11.04382035
0.00006420 0.00011148 0.00033094
0.00235089 0.00458361 -0.00305158
-36.68252061 3.13227523 3.01835870
0.00030851 -0.00049344 0.00018334
-0.01786318 0.04518133 -0.01482630
-37.71591862 0.47337242 3.79981352
-0.00023995 0.00074823 -0.00078330
0.02738176 0.02439647 -0.01902965
-8.75022463 -3.95746284 1.51901786
-0.00090163 0.00046579 0.00046649
-0.01349866 -0.00784202 -0.00880747
-6.41946082 -4.99195060 2.86421346
-0.00031172 -0.00031022 0.00018693
-0.00340667 0.00157639 -0.00102587
2.95906304 -0.08304981 7.32365869
0.00049398 0.00001367 -0.00051963
-0.01011066 -0.00013084 0.03126879
1.60495327 1.73038227 9.23849763
-0.00021336 -0.00086385 -0.00026207
-0.00653589 -0.00273342 0.00241686
-29.93141997 0.15173948 2.86617246
-0.00083194 0.00043068 0.00047618
-0.00710727 -0.00829841 -0.00272769
-32.76541291 0.98013935 2.77303778
-0.00046672 -0.00034285 0.00018639
-0.03326364 -0.01402300 0.00519474
15.69915826 11.57079239 -18.50232310
-0.00016639 -0.00071447 -0.00021969
0.02933063 0.04557825 0.00703967
18.41366154 12.49242194 -17.51585976
-0.00072327 0.00070122 -0.00098958
-0.01888437 0.00346597 -0.00305869
-2.89005467 6.68255360 6.14353975
0.00020494 -0.00013906 -0.00002989
-0.00179029 0.00515535 0.00821265
-2.81597241 5.12490989 3.84121673
0.00028737 -0.00036260 0.00066012
0.01120925 -0.00448190 -0.03247366
6.23918820 16.41369562 -8.83360102
0.00090353 -0.00013054 0.00062969
-0.00453152 0.01496952 0.03318631
7.00758341 18.10158890 -6.50273494
0.00026877 -0.00000728 0.00143152
0.02625807 0.01725237 0.01031007
7.83868675 5.43058941 -22.54281244
0.00023929 0.00077011 -0.00078364
-0.01635917 -0.01604336 -0.02263196
8.63193844 6.98082826 -20.71280714
-0.00018360 0.00044524 0.00033614
-0.00652174 0.00818153 0.02966367
19.27333578 21.17976688 -4.36433800
-0.00085840 -0.00064094 -0.00064464
-0.01884298 -0.02131672 0.00563694
19.49514637 19.76820573 -6.78658243
0.00041961 0.00017756 -0.00023728
-0.00873028 -0.01260006 0.01439055
1.36139878 12.38876137 -20.91347373
-0.00054826 -0.00007661 -0.00123369
0.00263352 -0.00528212 -0.00153775
0.72496781 14.85977900 -22.29027482
-0.00011816 -0.00020319 -0.00011091
-0.02047299 0.00497165 -0.00125495
9.91284845 -6.99654903 0.11432362
-0.00056771 0.00014668 0.00114323
0.00743542 0.00765331 -0.00392593
9.39243609 -4.14378320 -0.49650391
0.00015441 -0.00079978 0.00158204
0.00375935 0.00099980 0.00247276
-18.25196249 -5.51939002 6.64213795
-0.00023796 -0.00101945 -0.00023948
0.00170657 -0.00104748 0.01179440
-18.75614966 -5.01885310 3.96932408
-0.00014063 0.00025537 0.00015861
-0.00631879 -0.00220972 -0.01979343
-14.45093548 -0.03846983 19.24106774
-0.00031482 -0.00024102 0.00026293
0.00238340 -0.03411956 0.02128879
-14.49344321 -0.24263290 22.13620052
-0.00063958 0.00036215 -0.00010755
0.00097594 -0.00043602 0.01115374
1.04218162 2.66928478 -2.62954384
-0.00028881 -0.00031709 -0.00043116
0.00731059 0.00776182 -0.01650850
1.94808598 2.64063951 -5.42609423
-0.00046801 0.00125211 -0.00101065
-0.00001225 -0.01595022 -0.00791752
21.30044143 -10.47421039 -6.24175802
-0.00050545 0.00062328 0.00078559
0.01373073 0.00774943 -0.03518528
22.70545522 -10.01358650 -3.55554457
-0.00056039 -0.00050161 -0.00153638
0.00025877 0.00286276 -0.01827251
4.76007267 -10.37756426 6.78957693
0.00057941 0.00018750 -0.00082622
-0.03266195 -0.00505610 0.01608830
3.40353050 -11.63975558 9.13376606
-0.00006305 0.00055115 0.00034502
-0.00323662 0.00808692 -0.00932520
-2.04069393 -3.41668893 -20.74053082
0.00030853 -0.00016322 0.00042801
-0.00014674 0.02013354 0.01136193
-3.11875403 -2.06142464 -18.38224571
0.00054633 -0.00027797 0.00099845
0.00189781 0.00295744 -0.00052603
0.87928082 4.80804977 -10.49102418
0.00049889 -0.00034726 -0.00081286
-0.00922506 -0.00212586 0.01311484
-1.17505609 3.24247926 -8.92982248
0.00068537 -0.00038589 0.00151878
-0.00406503 -0.00087787 0.03861566
-4.02850301 15.74565413 15.64295551
-0.00028825 0.00102405 0.00083957
-0.00398519 -0.00690459 -0.00555825
-6.70847790 15.14851072 14.77174210
-0.00040394 0.00033890 -0.00074282
0.00638062 -0.00595572 -0.00107970
-6.64670924 2.08728719 -6.01924713
0.00036685 0.00008589 0.00075755
0.01027387 -0.00211787 -0.00992832
-4.92659830 1.54491346 -8.43607189
-0.00055984 0.00024056 -0.00083446
-0.01031364 0.00069601 -0.00144005
-9.92748774 -0.71456184 -3.80367427
-0.00026837 0.00021500 0.00041658
-0.01239850 -0.01123628 0.01139215
-9.69163433 2.16515576 -2.83504794
-0.00022869 -0.00073421 -0.00044890
-0.01088953 0.01826658 0.02201406
3.37950154 28.94070896 4.90613013
0.00051030 -0.00006041 0.00051116
0.00701543 0.02344133 -0.01241419
3.10569795 27.74126369 7.57638452
-0.00003608 0.00104221 0.00106275
0.00284143 0.00937283 0.00688733
8.07706995 -11.05548225 -1.23585557
0.00013911 -0.00042662 -0.00118817
-0.03339685 -0.00169886 0.00336418
10.70648857 -11.43894633 0.01989360
-0.00010832 -0.00118009 -0.00027443
-0.00298663 -0.00541395 0.00591208
-5.41314238 -0.16933485 8.68772622
0.00027907 0.00050611 0.00029378
-0.01565890 0.02811059 0.01467909
-8.27766685 -0.02135746 9.02956796
-0.00079121 0.00034611 0.00016337
0.01209413 0.01588649 0.00791936
20.24738800 10.81463065 8.78279636
-0.00101642 -0.00062576 -0.00077561
-0.01027278 -0.00168943 -0.01781459
22.16271811 10.75557104 6.67435355
-0.00079663 -0.00022738 0.00009969
-0.04896627 0.00724275 0.00037962
-2.94976438 -0.13265971 -22.62683601
-0.00038883 -0.00020120 0.00050566
0.00459862 -0.02778183 0.04324388
-4.75332851 1.46111168 -24.04741382
0.00121277 0.00009386 0.00038667
-0.06405839 0.01566325 -0.00633270
-12.36632678 9.98531498 9.56285436
0.00021214 -0.00025542 -0.00008215
-0.01200128 -0.01883400 -0.00260806
-13.54764027 9.34612958 7.05812993
-0.00062987 -0.00052097 0.00007534
-0.00688905 0.00569742 -0.01787397
-14.81793271 4.90955487 -4.37995849
-0.00033929 0.00034087 0.00001617
0.00320527 -0.00504966 -0.00737861
-13.62839698 7.55906967 -4.30739509
0.00015506 -0.00093814 -0.00067487
-0.00325946 0.02747850 -0.01235529
-4.34251936 -15.79212697 20.45200327
-0.00045020 -0.00067869 0.00042296
0.02571606 0.00248753 0.00370079
-1.83848844 -16.74829474 19.41234716
-0.00074318 0.00030648 -0.00018681
0.00382180 0.00381176 -0.00104422
-5.50398601 6.17247678 -7.49782766
-0.00084812 -0.00019155 0.00039982
-0.00144964 -0.01269048 0.00127821
-7.38607003 8.31112341 -6.81624864
0.00016844 -0.00014202 0.00060929
0.00302222 0.00294935 -0.00431383
-20.85860409 28.98993168 1.01146715
0.00083584 0.00031330 0.00042281
0.00286047 -0.00165164 -0.00789127
-18.02303391 29.56250505 0.26125533
0.00003054 0.00032652 -0.00055136
-0.00811908 -0.00443208 0.00938204
9.18057297 2.75137391 6.57946855
-0.00076533 -0.00071590 -0.00070996
0.00352308 0.01196248 0.00956765
9.20404782 5.50197175 7.83327999
0.00017675 0.00107795 0.00072223
-0.00511062 0.01489107 0.00355682
7.68941725 17.73201316 -12.31527317
-0.00000766 0.00009456 -0.00005815
0.01285985 0.01812235 -0.01029985
8.41064190 14.93299262 -12.31105527
0.00015427 -0.00005866 -0.00038711
-0.00265848 0.00519008 0.00603233
12.21083162 5.95934195 -1.18041881
0.00060761 0.00008859 -0.00031719
-0.04179713 0.03435543 0.00777619
13.61948179 3.73710935 0.28810656
-0.00016187 -0.00046987 0.00018792
-0.00884359 0.01834801 -0.01382100
-4.54038185 10.47665976 -1.84322036
-0.00066709 -0.00068830 0.00009619
-0.01342929 0.03055605 -0.01353129
-6.96925443 10.73421545 -0.52071442
0.00081959 0.00034632 -0.00000283
-0.00540282 0.01604735 -0.00690192
7.46382772 14.41454753 5.02600910
0.00037540 -0.00019946 0.00052897
0.00987452 -0.04233003 0.00240857
9.22038022 12.00263447 4.34164266
-0.00085055 0.00020438 0.00128313
0.00022899 0.00145016 -0.00271254
20.21847710 -13.04633430 -8.79508027
-0.00017383 0.00053707 -0.00028853
-0.01490739 -0.02014216 0.00974679
23.18485905 -12.61800818 -9.35988758
-0.00100594 -0.00038345 -0.00122984
-0.04620222 0.01093903 0.00012834
19.67198369 -4.96715571 -2.54457378
-0.00059525 -0.00010210 0.00056966
0.00415589 0.00098623 0.01206638
18.24398138 -6.92096468 -1.09001969
0.00079630 -0.00016332 0.00091841
0.00673273 -0.00602379 0.01068218
13.95985784 9.46679723 9.22630616
-0.00022990 -0.00052384 0.00054128
-0.00839918 0.00537628 -0.00548365
15.38972181 7.60428749 10.73733729
0.00091962 -0.00031609 0.00055265
0.00097233 0.00223699 -0.02211333
3.03369904 -14.98849743 17.40352687
0.00012614 -0.00099492 0.00004567
-0.00745255 -0.03224839 0.00602302
3.14057264 -12.31821825 17.25846095
0.00004522 0.00036166 -0.00047181
0.01188866 0.00976034 -0.01228219
-2.68844238 -3.73828003 -12.52307401
-0.00037152 -0.00034310 0.00009539
-0.00049848 -0.00866458 0.00291012
-0.77462918 -1.92280913 -13.85032863
-0.00064739 -0.00051575 -0.00104809
-0.01553090 0.00174652 0.00850841
15.80863713 -7.45346800 -14.98798799
-0.00060854 -0.00025456 0.00046858
0.00636791 -0.00959292 0.00201893
16.84679600 -8.22796717 -12.29463171
0.00006509 0.00072204 -0.00073021
0.01498189 -0.00637725 0.00477726
8.24062687 -3.34774825 5.84712925
0.00128728 0.00057479 -0.00011748
-0.01182652 -0.00100857 -0.01318509
10.85453373 -4.61806159 5.21797237
0.00090607 -0.00020533 0.00057789
-0.01877313 0.01883415 0.01738513
-20.88427007 0.29483565 25.23584627
0.00110145 -0.00063161 -0.00067774
0.02209105 0.01388248 -0.01615471
-19.59678430 2.71826089 26.10724649
-0.00058617 0.00006655 0.00028515
0.00406241 0.01143628 0.00129247
25.13100986 -2.61400836 -7.58403489
-0.00077248 0.00088817 -0.00021638
-0.00260205 0.00895692 0.01611052
23.60086758 -0.84276014 -9.13950660
0.00061843 0.00041529 0.00017967
0.00422292 0.00833777 0.01371528
12.03204663 -10.56962656 -9.60328170
0.00063129 -0.00125119 -0.00050322
0.00889367 0.00346097 0.01588554
12.93809441 -9.25555901 -12.19651701
-0.00002339 0.00092247 -0.00029274
-0.00578879 -0.00296582 0.01341276
-7.45966518 -10.77146577 17.34351920
-0.00097541 0.00009595 -0.00050344
0.03028123 0.00174640 0.01188807
-10.11197832 -10.17914778 17.69210562
0.00041918 0.00103208 -0.00026968
-0.00031312 -0.00856527 -0.01662492
8.14798387 1.24549603 -29.38144692
0.00054054 -0.00063857 -0.00051351
0.01232107 0.01012831 -0.00437737
5.40402216 0.83435308 -28.40254000
0.00015195 0.00028261 -0.00018434
0.01981876 0.00891735 0.00636345
13.94980708 19.29722806 13.64953718
-0.00048619 -0.00031845 -0.00040787
0.02655400 0.01960785 0.02173916
13.41595955 17.76017570 11.42781879
0.00117314 -0.00001382 0.00021308
0.01317694 -0.01959651 -0.02943337
27.87013457 7.81714523 -11.53299846
-0.00016986 0.00009610 -0.00015076
-0.02233374 -0.00428082 -0.00426316
26.15725767 7.65954423 -9.24852573
0.00040351 0.00013092 -0.00012400
-0.00179139 0.00060703 0.01951675
-7.81933422 4.72832977 6.17026488
0.00009952 0.00001072 0.00012443
-0.00284362 -0.00285984 0.00318199
-10.27112950 9.11264829 3.08040451
0.00029875 -0.00011158 0.00025266
0.00925010 -0.00180763 0.00630471
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.07595120
0.29405994
391.82012407
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0599563953
ExchangeOperator: pair fraction: ispin=0: 0.1497674419
ExchangeOperator: bisection time: 1.511 s
total exchange = -52.3896420184 (a.u.)
total exchange computation time: 2.9506931305 s
-154.1640786596
-931.37022145
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0599563953
ExchangeOperator: pair fraction: ispin=0: 0.1497674419
ExchangeOperator: bisection time: 1.514 s
total exchange = -52.3890664068 (a.u.)
total exchange computation time: 2.9503021240 s
-154.1701289402
Anderson extrapolation: theta=1.3410477915 (1.3410477915)
-931.37045891
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0599563953
ExchangeOperator: pair fraction: ispin=0: 0.1497674419
ExchangeOperator: bisection time: 1.515 s
total exchange = -52.3881962067 (a.u.)
total exchange computation time: 2.9520471096 s
-154.1788178845
Anderson extrapolation: theta=0.0500304380 (0.0500304380)
-931.37060071
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0599563953
ExchangeOperator: pair fraction: ispin=0: 0.1497674419
ExchangeOperator: bisection time: 1.516 s
total exchange = -52.3880746679 (a.u.)
total exchange computation time: 2.9505181313 s
-154.1797625080
Anderson extrapolation: theta=1.8640190027 (1.8640190027)
-931.37060603
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0599563953
ExchangeOperator: pair fraction: ispin=0: 0.1497674419
ExchangeOperator: bisection time: 1.516 s
total exchange = -52.3878231402 (a.u.)
total exchange computation time: 2.9518339634 s
-154.1816483509
Anderson extrapolation: theta=0.2146567235 (0.2146567235)
-931.37061153
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0599563953
ExchangeOperator: pair fraction: ispin=0: 0.1497674419
ExchangeOperator: bisection time: 1.515 s
total exchange = -52.3877607518 (a.u.)
total exchange computation time: 2.9505319595 s
-154.1820659625
Anderson extrapolation: theta=1.9171999796 (1.9171999796)
-931.37061261
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0599563953
ExchangeOperator: pair fraction: ispin=0: 0.1497674419
ExchangeOperator: bisection time: 1.517 s
total exchange = -52.3876590075 (a.u.)
total exchange computation time: 2.9517550468 s
-154.1827008354
Anderson extrapolation: theta=0.2891278234 (0.2891278234)
-931.37061410
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0599563953
ExchangeOperator: pair fraction: ispin=0: 0.1497674419
ExchangeOperator: bisection time: 1.514 s
total exchange = -52.3876486319 (a.u.)
total exchange computation time: 2.9524478912 s
-154.1827177167
Anderson extrapolation: theta=1.3313886356 (1.3313886356)
-931.37061449
65.636163 -17.441613 -166.938004
560.926328 1074.421751 -407.224866
626.562491 1056.980138 -574.162870
1356.263459
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0599563953
ExchangeOperator: pair fraction: ispin=0: 0.1497674419
ExchangeOperator: bisection time: 1.513 s
total exchange = -52.3876498178 (a.u.)
total exchange computation time: 2.9615979195 s
679.00650183
-1084.45496315
89.85126284
-388.55468164
-174.83108492
78.63764962
551.60419304
0.00000000
-931.37061485
4.55132474 -31.01067302 -3.48392579
-0.00001205 -0.00031762 -0.00003903
0.00155228 0.00019283 -0.00720595
-11.65888518 2.14016934 -9.26315239
0.00036621 0.00010365 0.00021077
-0.02810359 -0.00868288 -0.00529880
-36.19206526 1.44231133 3.16062189
0.00001634 0.00007990 0.00021739
-0.01067414 -0.08137622 0.03263318
-7.40613053 -3.46264966 2.63852332
0.00021318 0.00005289 0.00006171
0.01393772 -0.00110621 0.01090344
2.24213157 0.02260794 9.07958485
-0.00006778 -0.00015149 0.00022499
0.01933327 -0.00993632 -0.04107473
-31.09324143 1.53933427 2.56904201
0.00008192 0.00029080 -0.00013762
0.03236317 0.02303765 0.00208596
16.83776736 13.16447459 -18.32800333
-0.00003019 -0.00006821 -0.00034148
-0.02345436 -0.04098604 0.00076907
-3.45099600 5.07099533 5.48432098
-0.00002521 -0.00013448 -0.00022615
-0.01028848 0.00345300 0.02675406
5.68551123 17.05205714 -7.03584260
-0.00028288 -0.00011765 -0.00030119
-0.01503762 -0.02241784 -0.03711056
7.23388120 5.77127181 -20.83729126
0.00003358 0.00015459 0.00028956
0.02441403 0.01901398 -0.01300430
18.60406221 19.56919085 -5.16042232
0.00008484 -0.00003483 -0.00005568
0.02779144 0.02218664 -0.02405544
1.96549219 14.07736723 -21.24106515
0.00012468 0.00038879 -0.00004026
0.01314093 0.00067279 0.01088059
10.53594236 -5.28302700 0.42670536
0.00012799 0.00007615 -0.00010046
-0.00548749 -0.01419347 0.00316264
-17.81716986 -4.32557417 5.34564487
0.00064221 -0.00040129 -0.00001198
0.00309537 -0.00281278 0.01039688
-14.29900487 -1.34378775 20.70197589
-0.00005715 0.00009192 0.00008727
-0.00438538 0.03156337 -0.03521588
1.60470157 3.73415808 -4.05059319
0.00001909 -0.00013550 -0.00011444
-0.00791737 0.00765724 0.02696608
21.24120293 -10.59185093 -4.48036129
-0.00000583 0.00012203 0.00013622
-0.02163936 -0.00800444 0.05580679
3.06687516 -10.50331729 7.70030796
0.00002899 -0.00025841 -0.00026442
0.03723617 -0.00332212 -0.01329082
-1.96512723 -1.76954704 -19.77249230
-0.00016058 -0.00004775 -0.00047809
-0.00169444 -0.02651490 -0.00363832
-0.61565129 3.73560870 -10.52278412
-0.00039709 0.00031743 -0.00038614
0.01270554 0.00698544 -0.03539459
-4.95085617 14.73246028 14.41699623
0.00009102 0.00009771 -0.00025097
-0.00049516 0.01767550 0.00861966
-5.30470611 2.77733990 -7.14593340
0.00018204 0.00007231 0.00030659
-0.00464051 -0.00524950 0.00934450
-9.23601770 0.91562369 -4.01636374
0.00014930 0.00025917 -0.00002909
0.03202158 -0.01782925 -0.04785623
2.86344866 27.49259464 5.80160995
-0.00009484 -0.00007955 -0.00022405
-0.00755545 -0.02379862 0.02078326
9.80738989 -10.84182988 -1.46588562
-0.00042560 0.00003450 0.00007245
0.03681805 0.01793627 -0.01891005
-6.77228481 1.05975019 9.28580182
0.00004324 -0.00007276 -0.00007046
0.00120643 -0.04277532 -0.02125383
20.17224591 10.77657575 6.90271752
0.00002523 -0.00012943 0.00006342
0.06371402 -0.00824840 0.01400975
-3.09351034 1.04391857 -23.92394805
-0.00006628 -0.00002425 -0.00028422
0.07330153 0.00772552 -0.02908267
-13.54763897 8.70166818 8.73150502
0.00026169 -0.00020233 0.00021852
0.00476787 0.00182589 0.02313860
-13.63619136 5.98420327 -3.50578465
-0.00018402 -0.00016510 -0.00029406
0.00485211 -0.02653540 0.02011624
-2.49440049 -15.45987986 20.53151831
-0.00030400 -0.00012231 0.00000496
-0.03932710 -0.00472153 0.00406816
-5.95318134 7.89593731 -7.88652470
0.00019918 0.00045880 0.00006586
-0.00039074 0.00146111 -0.00284865
-19.59114060 30.28462262 0.88651618
0.00015285 -0.00025440 -0.00010693
0.00322666 0.01637916 0.00313717
9.86308903 3.81402815 7.94305441
0.00014339 -0.00008727 0.00000160
0.00277011 -0.02909109 -0.01592067
7.26960773 16.17359945 -11.57142027
-0.00001329 0.00023444 0.00013247
-0.00826820 -0.03089187 0.00269050
13.51915284 4.83480117 -1.26720289
-0.00027609 -0.00041821 -0.00003931
0.05913389 -0.05095094 0.01048470
-6.03852297 11.67433591 -1.81982324
0.00018986 0.00020255 0.00056805
0.03160855 -0.04268007 0.01790384
7.72089540 12.52372087 5.27362589
-0.00012630 -0.00007323 -0.00009262
-0.01766357 0.04993019 0.00075244
21.40366139 -11.88925055 -9.43888191
-0.00054275 0.00015109 0.00027900
0.05320237 0.01626610 -0.02053524
19.72019990 -5.83032890 -0.87839478
-0.00026568 0.00020922 0.00032488
-0.00542587 0.00774939 -0.02128891
15.01236095 8.02239550 8.92730799
0.00045145 0.00001408 0.00031602
0.01107704 -0.01111990 0.03507278
3.83296369 -13.77030419 16.36150191
-0.00005183 0.00006168 -0.00005722
-0.00428692 0.01230278 0.00218104
-2.59059561 -2.27200864 -13.57064506
0.00012292 0.00026364 0.00018583
0.00658585 0.00270572 -0.00763375
15.50694641 -7.42193459 -13.16918857
-0.00001263 -0.00010025 -0.00003688
-0.02856222 0.01576265 -0.00618948
9.82146502 -3.80520991 6.56622848
0.00005926 -0.00016268 -0.00041831
0.03884034 -0.01649425 -0.00350057
-19.40967949 1.41829987 24.83023779
-0.00018226 -0.00011486 -0.00002221
-0.02610892 -0.02627480 0.01077662
24.08535002 -1.06044270 -7.35420783
-0.00024902 0.00013191 0.00001600
0.00268121 -0.01235652 -0.02752258
11.64366883 -10.34585863 -11.35624792
0.00006337 0.00036181 -0.00000601
0.00399289 0.01420165 -0.02339958
-8.93365559 -10.67293445 16.32494528
-0.00020474 0.00017973 -0.00031685
-0.04821741 0.00872002 -0.00426342
7.06445095 1.59001958 -27.93175484
0.00022549 -0.00005252 -0.00000612
-0.03392482 -0.01955515 -0.00481142
12.61590692 18.54655572 12.78258212
-0.00010546 -0.00028759 -0.00021593
-0.03895499 -0.00493606 0.00448933
26.03603471 7.55006552 -11.06363257
0.00013760 -0.00001270 0.00008510
0.03126202 0.00121035 -0.01375433
5.07222744 -29.87427254 -4.86266535
-0.00031322 0.00025621 0.00030117
-0.00321643 0.00068875 0.00741667
3.89937797 -29.97558681 -2.12206365
-0.00050669 -0.00010883 0.00039187
0.00407959 -0.00431971 0.00090310
-10.01497830 2.48955122 -8.70072194
-0.00074293 0.00050274 -0.00010722
0.02323154 0.00491827 0.00545935
-11.80693543 2.55808894 -11.03894970
0.00007332 0.00013045 0.00031694
0.00211173 0.00470210 -0.00380203
-36.67844030 3.12625807 3.02065452
0.00023375 -0.00029811 0.00012128
-0.01873566 0.05043431 -0.01555235
-37.71867884 0.48534352 3.78748095
-0.00013259 0.00084359 -0.00085831
0.02517360 0.02228189 -0.01768923
-8.76416276 -3.95071622 1.52574526
-0.00095020 0.00043496 0.00043535
-0.01027350 -0.00725203 -0.00643200
-6.42424098 -4.99655560 2.86698592
-0.00032628 -0.00030346 0.00018200
-0.00372199 0.00173398 -0.00138554
2.96616288 -0.08284883 7.31682248
0.00044884 0.00001324 -0.00038238
-0.01198640 -0.00007617 0.03591311
1.60155265 1.71734080 9.23464069
-0.00024366 -0.00086495 -0.00025118
-0.00829985 0.00219450 0.00291447
-29.94411692 0.15794542 2.87323164
-0.00085332 0.00039070 0.00046616
-0.00335841 -0.01127474 -0.00217773
-32.77343295 0.97456682 2.77599284
-0.00058917 -0.00039381 0.00020556
-0.02668041 -0.01091803 0.00418703
15.69756123 11.56147207 -18.50540275
-0.00004443 -0.00052463 -0.00019074
0.03037072 0.04734604 0.00713015
18.40223385 12.50304644 -17.53079714
-0.00078914 0.00071047 -0.00099675
-0.01336211 0.00106425 -0.00045483
-2.88703543 6.68062570 6.14334300
0.00019665 -0.00012022 0.00000285
-0.00226802 0.00406815 0.00781369
-2.81131839 5.11933349 3.85012348
0.00033809 -0.00038095 0.00051528
0.01362043 -0.00449994 -0.03842929
6.25260230 16.41219628 -8.82313868
0.00088490 -0.00007007 0.00076123
-0.00458859 0.01463142 0.03120054
7.01241953 18.10200841 -6.48094628
0.00036062 0.00005092 0.00146751
0.01870578 0.01123513 0.00730969
7.84177484 5.44164949 -22.55526063
0.00016890 0.00070766 -0.00086338
-0.01809814 -0.01452880 -0.01639803
8.62898457 6.98775753 -20.70685606
-0.00021059 0.00047732 0.00045692
-0.00669136 0.00752536 0.02945898
19.25988244 21.16949952 -4.37383483
-0.00093080 -0.00071795 -0.00061600
-0.01659969 -0.01637667 0.00838378
19.50117299 19.77048301 -6.78970066
0.00038191 0.00012532 -0.00017499
-0.00972331 -0.01297264 0.01610314
1.35325562 12.38745029 -20.93202625
-0.00053345 -0.00009258 -0.00123981
0.00461295 -0.00253504 -0.00145434
0.72256809 14.85688346 -22.29197699
-0.00020133 -0.00018050 -0.00011685
-0.02024135 0.00613552 -0.00164902
9.90456059 -6.99411429 0.13135170
-0.00053699 0.00017689 0.00112693
0.00760425 0.00713174 -0.00405341
9.39486749 -4.15574929 -0.47269757
0.00015854 -0.00078424 0.00158242
-0.00173954 0.00660847 -0.00228719
-18.25547955 -5.53471381 6.63890718
-0.00022865 -0.00101861 -0.00019578
0.00284825 0.00145923 0.00959907
-18.75845279 -5.01509031 3.97109672
-0.00016575 0.00024729 0.00007780
-0.00597755 -0.00174554 -0.01976540
-14.45558468 -0.04313062 19.24566400
-0.00030509 -0.00037809 0.00034716
0.00237790 -0.03297700 0.01994523
-14.50300701 -0.23721405 22.13492910
-0.00063532 0.00035913 -0.00006332
0.00110891 -0.00104133 0.01049552
1.03807350 2.66476630 -2.63651706
-0.00025916 -0.00028667 -0.00049886
0.00720086 0.00713027 -0.01663401
1.94106551 2.65893235 -5.44149666
-0.00046763 0.00118390 -0.00104469
0.00019431 -0.01743516 -0.00874521
21.29328048 -10.46462368 -6.23105242
-0.00045057 0.00065512 0.00063098
0.01313356 0.00783551 -0.04049555
22.69705729 -10.02102292 -3.57915017
-0.00054054 -0.00048229 -0.00159751
0.00945792 0.00659442 -0.01165375
4.76776300 -10.37490668 6.77767664
0.00043972 0.00016527 -0.00075576
-0.03571685 -0.00582624 0.01839995
3.40248563 -11.63124058 9.13865557
-0.00007509 0.00058381 0.00030656
-0.00265711 0.00790280 -0.00950238
-2.03607052 -3.41852030 -20.73376252
0.00030710 -0.00008447 0.00047178
-0.00055278 0.01841568 0.01006244
-3.11050090 -2.06550364 -18.36728507
0.00056055 -0.00026415 0.00098738
0.00506106 0.00380961 -0.00489132
0.88648147 4.80277569 -10.50281525
0.00045810 -0.00035828 -0.00075951
-0.01074060 -0.00326524 0.01300293
-1.16490006 3.23666395 -8.90585755
0.00067906 -0.00038119 0.00164752
0.00097289 0.00318187 0.02440826
-4.03294892 15.76080336 15.65537875
-0.00031171 0.00098757 0.00080668
-0.00749623 -0.01095246 -0.01054218
-6.71434152 15.15341175 14.76056669
-0.00037226 0.00031300 -0.00074833
0.00912763 -0.00672488 -0.00161459
-6.64089160 2.08851070 -6.00818815
0.00040943 0.00007723 0.00071547
0.01056769 -0.00212254 -0.01067063
-4.93531192 1.54854314 -8.44863291
-0.00060398 0.00024909 -0.00083417
-0.01129379 0.00348000 0.00158021
-9.93189324 -0.71168121 -3.79707642
-0.00031640 0.00017344 0.00046140
-0.01111140 -0.00910724 0.01054796
-9.69539832 2.15470232 -2.84110685
-0.00027690 -0.00064863 -0.00034941
-0.01270877 0.02362586 0.02668578
3.38737105 28.94052113 4.91341718
0.00053976 0.00003717 0.00045779
0.00740241 0.02432577 -0.01371320
3.10524379 27.75718408 7.59253675
-0.00002815 0.00107552 0.00106867
0.00104369 0.00693128 -0.00398833
8.07813320 -11.06193361 -1.25357503
-0.00000873 -0.00043576 -0.00117263
-0.03897021 -0.00277494 0.00424263
10.70477222 -11.45681354 0.01595838
-0.00012362 -0.00120072 -0.00025316
-0.00450170 -0.00468655 0.00449825
-5.40943620 -0.16088181 8.69258280
0.00021557 0.00061722 0.00035201
-0.01542182 0.02628068 0.01382054
-8.28916438 -0.01567897 9.03226118
-0.00073578 0.00041253 0.00019568
0.01504039 0.01662635 0.00789667
20.23182685 10.80519253 8.77061632
-0.00105723 -0.00063231 -0.00083707
-0.00970102 -0.00151638 -0.01227238
22.14926814 10.75238224 6.67586050
-0.00099040 -0.00019785 0.00010082
-0.04588187 0.00721365 0.00017469
-2.95545589 -0.13652897 -22.61792605
-0.00037035 -0.00030474 0.00067140
0.00444842 -0.02290174 0.03788869
-4.73709996 1.46299962 -24.04180777
0.00092492 0.00016586 0.00035891
-0.07684429 0.01957736 -0.00725654
-12.36351237 9.98090654 9.56154219
0.00016477 -0.00033021 -0.00009232
-0.01119073 -0.01777363 -0.00236997
-13.55729945 9.33848956 7.05871225
-0.00065758 -0.00049769 0.00000370
-0.00667325 0.00569829 -0.01719186
-14.82292385 4.91451324 -4.37994207
-0.00032937 0.00031623 -0.00001597
0.00165306 -0.00701175 -0.00835545
-13.62617095 7.54583954 -4.31789668
0.00014250 -0.00081729 -0.00072917
-0.00288806 0.03168025 -0.01422938
-4.34848430 -15.80223103 20.45846115
-0.00034321 -0.00066750 0.00043842
0.02665638 0.00298540 0.00386370
-1.84951906 -16.74358068 19.40951301
-0.00072483 0.00031832 -0.00019430
0.00516298 0.00198020 -0.00262191
-5.51675218 6.16921463 -7.49179125
-0.00085350 -0.00023760 0.00040227
-0.00118613 -0.00985171 -0.00007559
-7.38345077 8.30908346 -6.80724149
0.00018263 -0.00012888 0.00058913
0.00392392 0.00348321 -0.00555469
-20.84597890 28.99458061 1.01756753
0.00083806 0.00029620 0.00039138
-0.00177196 -0.00671869 -0.00749735
-18.02282456 29.56726711 0.25327249
-0.00000067 0.00030703 -0.00051361
-0.00715867 -0.00511173 0.00909394
9.16920102 2.74100203 6.56911230
-0.00074531 -0.00065675 -0.00065961
0.00627709 0.01698944 0.01507883
9.20654241 5.51859728 7.84422241
0.00016108 0.00112368 0.00073681
-0.00255754 0.00749724 0.00357848
7.68969635 17.73398685 -12.31646099
0.00004463 0.00016879 -0.00010014
0.01273802 0.01821387 -0.01025739
8.41287442 14.93227170 -12.31667705
0.00013872 -0.00003242 -0.00035912
-0.00495121 0.00765779 0.00766994
12.21866494 5.96172351 -1.18493834
0.00043304 0.00023295 -0.00028440
-0.04365515 0.03630944 0.00827448
13.61678278 3.73062350 0.29050181
-0.00019869 -0.00039338 0.00012970
-0.00918085 0.01909432 -0.01467551
-4.55079964 10.46727165 -1.84219220
-0.00071895 -0.00056345 0.00004006
-0.01195943 0.03055494 -0.01394170
-6.95712611 10.73990194 -0.52096838
0.00079021 0.00040730 -0.00002236
-0.00897842 0.01380355 -0.00265951
7.46976130 14.41025849 5.03401748
0.00041462 -0.00036859 0.00053816
0.00932501 -0.04045974 0.00208814
9.20762898 12.00574461 4.36080644
-0.00083297 0.00020449 0.00126144
0.00837671 -0.00139452 -0.00790106
20.21541288 -13.03889548 -8.79910949
-0.00024293 0.00044677 -0.00024444
-0.01892013 -0.02406138 0.01183589
23.16835415 -12.62342476 -9.37833120
-0.00119089 -0.00033968 -0.00122803
-0.04433058 0.01048785 0.00075365
19.66318236 -4.96865706 -2.53565914
-0.00057827 -0.00009604 0.00061516
0.00415533 0.00198415 0.01020795
18.25613214 -6.92359912 -1.07591620
0.00081555 -0.00019369 0.00096075
0.00269021 -0.00883848 0.01004440
13.95615194 9.45910439 9.23425731
-0.00026399 -0.00050186 0.00051935
-0.00828861 0.00538213 -0.00524850
15.40354595 7.59961475 10.74494940
0.00092218 -0.00030511 0.00045849
0.00027734 0.00313689 -0.02397900
3.03536281 -15.00440950 17.40439653
0.00010080 -0.00111507 0.00006356
-0.00495337 -0.02656327 0.00273264
3.14161523 -12.31249432 17.25100750
0.00009321 0.00039901 -0.00052087
0.01160097 0.00852353 -0.01173325
-2.69403050 -3.74369211 -12.52155396
-0.00037210 -0.00037154 0.00010228
0.00021518 -0.00525366 0.00046374
-0.78481594 -1.93049187 -13.86578923
-0.00070149 -0.00050767 -0.00101349
-0.01095331 0.00221000 0.00842770
15.79970412 -7.45758029 -14.98089741
-0.00058136 -0.00029322 0.00046834
0.00693676 -0.00933573 -0.00213706
16.84823147 -8.21733193 -12.30543840
0.00013447 0.00069075 -0.00070474
0.01897999 -0.00894302 0.00769012
8.25957371 -3.33915737 5.84496297
0.00122462 0.00057477 -0.00017942
-0.01884704 0.00100333 -0.01713519
10.86754944 -4.62056438 5.22717352
0.00082959 -0.00012913 0.00064566
-0.01866233 0.01846438 0.01578748
-20.86707138 0.28578685 25.22518513
0.00118308 -0.00057987 -0.00074083
0.01786545 0.01144561 -0.01472660
-19.60545237 2.71960961 26.11156330
-0.00056950 0.00010871 0.00028640
0.00409961 0.00919982 -0.00067681
25.11934292 -2.60041134 -7.58678698
-0.00077660 0.00091503 -0.00015076
0.00058591 0.00419104 0.01601541
23.61027337 -0.83627526 -9.13639122
0.00063320 0.00045068 0.00023059
0.00301122 0.00898328 0.01120860
12.04178851 -10.58828838 -9.61034327
0.00066855 -0.00123643 -0.00043655
0.00934640 0.00376637 0.01675328
12.93756616 -9.24181290 -12.20049709
-0.00004900 0.00090693 -0.00023503
-0.00674566 -0.00463890 0.01483546
-7.47336848 -10.76997307 17.33633195
-0.00084055 0.00010191 -0.00044933
0.03573617 0.00117575 0.01459836
-10.10570017 -10.16392906 17.68755093
0.00041489 0.00099741 -0.00033672
-0.00178819 -0.00840538 -0.01618872
8.15646951 1.23622790 -29.38928370
0.00058525 -0.00059487 -0.00052343
0.00956752 0.01125980 -0.00047863
5.40690875 0.83886547 -28.40511016
0.00023219 0.00031855 -0.00015812
0.01945785 0.00867395 0.00647273
13.94332791 19.29305219 13.64408529
-0.00037349 -0.00023418 -0.00031392
0.02861477 0.02164300 0.02424773
13.43396047 17.75936791 11.43011311
0.00122420 -0.00009288 0.00009499
0.01181763 -0.01910319 -0.02837438
27.86690224 7.81845561 -11.53539057
-0.00025844 0.00007893 -0.00016868
-0.02102740 -0.00412553 -0.00450793
26.16325538 7.66152662 -9.24978764
0.00039576 0.00013362 -0.00004151
-0.00200227 0.00071504 0.02086064
-7.81784909 4.72848297 6.17213989
0.00009849 0.00000972 0.00012556
-0.00292011 -0.00277530 0.00312975
-10.26663217 9.11097147 3.08420537
0.00030090 -0.00011199 0.00025411
0.00926107 -0.00170144 0.00616176
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.07597647
0.29463839
392.59088010
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0599563953
ExchangeOperator: pair fraction: ispin=0: 0.1497674419
ExchangeOperator: bisection time: 1.515 s
total exchange = -52.3971084242 (a.u.)
total exchange computation time: 2.9906477928 s
-154.1899496742
-931.37067606
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0599563953
ExchangeOperator: pair fraction: ispin=0: 0.1497674419
ExchangeOperator: bisection time: 1.515 s
total exchange = -52.3964245200 (a.u.)
total exchange computation time: 2.9928691387 s
-154.1968643502
Anderson extrapolation: theta=1.3394911697 (1.3394911697)
-931.37092238
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0599563953
ExchangeOperator: pair fraction: ispin=0: 0.1497674419
ExchangeOperator: bisection time: 1.513 s
total exchange = -52.3954049654 (a.u.)
total exchange computation time: 2.9913821220 s
-154.2067218997
Anderson extrapolation: theta=0.0498176232 (0.0498176232)
-931.37106888
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0599563953
ExchangeOperator: pair fraction: ispin=0: 0.1497674419
ExchangeOperator: bisection time: 1.513 s
total exchange = -52.3952725233 (a.u.)
total exchange computation time: 2.9941599369 s
-154.2077409341
Anderson extrapolation: theta=1.8573598887 (1.8573598887)
-931.37107424
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0599563953
ExchangeOperator: pair fraction: ispin=0: 0.1497674419
ExchangeOperator: bisection time: 1.515 s
total exchange = -52.3950008515 (a.u.)
total exchange computation time: 2.9911229610 s
-154.2097657323
Anderson extrapolation: theta=0.2141101650 (0.2141101650)
-931.37107964
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0599563953
ExchangeOperator: pair fraction: ispin=0: 0.1497674419
ExchangeOperator: bisection time: 1.515 s
total exchange = -52.3949342735 (a.u.)
total exchange computation time: 2.9909660816 s
-154.2102152441
Anderson extrapolation: theta=1.9107801295 (1.9107801295)
-931.37108066
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0599563953
ExchangeOperator: pair fraction: ispin=0: 0.1497674419
ExchangeOperator: bisection time: 1.513 s
total exchange = -52.3948261021 (a.u.)
total exchange computation time: 2.9917080402 s
-154.2109037027
Anderson extrapolation: theta=0.2864970421 (0.2864970421)
-931.37108201
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0599563953
ExchangeOperator: pair fraction: ispin=0: 0.1497674419
ExchangeOperator: bisection time: 1.514 s
total exchange = -52.3948154529 (a.u.)
total exchange computation time: 2.9927439690 s
-154.2109281105
Anderson extrapolation: theta=1.3152920148 (1.3152920148)
-931.37108235
65.613640 -17.449724 -166.888920
560.856397 1074.430112 -407.258671
626.470037 1056.980388 -574.147591
1356.214476
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0599563953
ExchangeOperator: pair fraction: ispin=0: 0.1497674419
ExchangeOperator: bisection time: 1.513 s
total exchange = -52.3948176760 (a.u.)
total exchange computation time: 2.9923651218 s
679.11023907
-1084.68876501
89.84747148
-388.39583008
-174.84938043
78.76754866
551.60419304
0.00000000
-931.37108265
4.55114993 -31.01543655 -3.48453905
-0.00001167 -0.00031675 -0.00004191
-0.00007133 0.00320079 -0.00399115
-11.65350045 2.14169065 -9.26001121
0.00034954 0.00009863 0.00020732
-0.03670182 -0.01086166 -0.00811781
-36.19186128 1.44319600 3.16400860
0.00001164 0.00003799 0.00023392
-0.00759790 -0.08162073 0.03167031
-7.40287914 -3.46186057 2.63949106
0.00021945 0.00005210 0.00006672
0.01047788 -0.00196225 0.00856374
2.24118951 0.02029724 9.08280129
-0.00005696 -0.00015779 0.00020285
0.02271425 -0.01454113 -0.04504425
-31.09188779 1.54378518 2.56698581
0.00009575 0.00030249 -0.00013637
0.02141948 0.02240180 0.00277778
16.83722410 13.16329330 -18.33312262
-0.00004396 -0.00008887 -0.00034185
-0.03011345 -0.03936018 -0.00217781
-3.45141385 5.06899147 5.48103197
-0.00003086 -0.00013239 -0.00021112
-0.01167227 0.00465352 0.03169071
5.68121003 17.05020593 -7.04050358
-0.00028866 -0.00012738 -0.00031860
-0.00743862 -0.01540635 -0.03059979
7.23447903 5.77366401 -20.83299797
0.00004663 0.00016410 0.00028130
0.02634722 0.01798340 -0.01914595
18.60544207 19.56875400 -5.16135037
0.00009868 -0.00002484 -0.00006918
0.02602197 0.01667165 -0.02840762
1.96741304 14.08320175 -21.24162709
0.00013075 0.00038821 -0.00003471
0.01047824 -0.00293703 0.01071561
10.53784101 -5.28193952 0.42521059
0.00012666 0.00006745 -0.00009760
0.00033881 -0.01961768 0.00796667
-17.80752479 -4.33160438 5.34550525
0.00064327 -0.00040357 -0.00000623
0.00103109 -0.00604296 0.01197510
-14.29987901 -1.34228724 20.70314908
-0.00005942 0.00010794 0.00006988
-0.00446501 0.03076023 -0.03241880
1.60495733 3.73215511 -4.05220576
0.00001512 -0.00013106 -0.00010062
-0.00749802 0.00961436 0.02675919
21.24103194 -10.59005129 -4.47810279
-0.00001934 0.00011692 0.00016406
-0.03089459 -0.01188379 0.05248564
3.06745372 -10.50720620 7.69629036
0.00004859 -0.00025982 -0.00027175
0.03897354 -0.00216415 -0.01519529
-1.96754247 -1.77036553 -19.77967765
-0.00016209 -0.00006098 -0.00047845
-0.00417885 -0.02495328 0.00221256
-0.62155859 3.74039713 -10.52871272
-0.00039143 0.00032020 -0.00040063
0.00931468 0.00378352 -0.02096193
-4.94949273 14.73399410 14.41326491
0.00009092 0.00010793 -0.00024529
0.00007916 0.02207864 0.01347952
-5.30199339 2.77840432 -7.14129846
0.00017984 0.00006901 0.00031073
-0.00392189 -0.00759061 0.00674594
-9.23365474 0.91944248 -4.01698470
0.00016571 0.00024811 -0.00005445
0.03179880 -0.02516289 -0.05076699
2.86199688 27.49130966 5.79832931
-0.00009833 -0.00009113 -0.00021062
-0.00602560 -0.02126524 0.03144780
9.80114798 -10.84124321 -1.46487185
-0.00040523 0.00004377 0.00006306
0.04235856 0.01810723 -0.01759846
-6.77163151 1.05849386 9.28466289
0.00004302 -0.00009423 -0.00008106
-0.00207210 -0.04073909 -0.01995506
20.17287019 10.77460251 6.90372286
0.00005674 -0.00013370 0.00006913
0.05878525 -0.00837508 0.00820940
-3.09422185 1.04358460 -23.92832358
-0.00002615 -0.00002250 -0.00029736
0.08276431 -0.00093076 -0.02199878
-13.54369529 8.69864031 8.73487214
0.00026383 -0.00020164 0.00022991
0.00356076 0.00086371 0.02112365
-13.63893298 5.98162448 -3.51011790
-0.00018126 -0.00017898 -0.00028309
0.00587968 -0.02747249 0.02251311
-2.49911218 -15.46173277 20.53160838
-0.00032461 -0.00012437 0.00000743
-0.04081518 -0.00326191 0.00553263
-5.95019519 7.90282489 -7.88554778
0.00019875 0.00045850 0.00006503
-0.00126188 -0.00260374 -0.00036851
-19.58883540 30.28086974 0.88492439
0.00015538 -0.00024447 -0.00010534
0.00659556 0.02223748 0.00301906
9.86525062 3.81260693 7.94301698
0.00014361 -0.00010145 -0.00000772
-0.00191185 -0.02604264 -0.02032435
7.26937656 16.17699690 -11.56942292
-0.00001688 0.00021816 0.00013330
-0.00569549 -0.03240381 0.00055636
13.51523957 4.82833145 -1.26775206
-0.00024571 -0.00044437 -0.00003389
0.05899242 -0.05075195 0.01056945
-6.03555311 11.67720956 -1.81123339
0.00020648 0.00018136 0.00057609
0.03302937 -0.03971847 0.01334331
7.71893272 12.52281501 5.27223952
-0.00013736 -0.00004751 -0.00009082
-0.02534593 0.05009421 0.00623846
21.39572534 -11.88692145 -9.43477606
-0.00051527 0.00016043 0.00026786
0.05365060 0.02004133 -0.02280400
19.71619370 -5.82716072 -0.87360371
-0.00026741 0.00021357 0.00031463
-0.00129874 0.00918598 -0.01858600
15.01917536 8.02256388 8.93218364
0.00045718 0.00000830 0.00033432
0.01122428 -0.01137415 0.03606608
3.83216975 -13.76933151 16.36065200
-0.00005458 0.00006667 -0.00005536
-0.00642464 0.00711597 0.00507043
-2.58872648 -2.26804361 -13.56788707
0.00012481 0.00026397 0.00018263
0.00078309 -0.00143781 -0.00481964
15.50664684 -7.42337751 -13.16976560
-0.00002831 -0.00009162 -0.00003965
-0.03241532 0.01777393 -0.00459356
9.82250380 -3.80771380 6.55994031
0.00008074 -0.00017150 -0.00041860
0.04468505 -0.01779347 0.00235568
-19.41251406 1.41647555 24.82994624
-0.00019438 -0.00012696 -0.00001653
-0.02102053 -0.02074540 0.01128950
24.08162503 -1.05851167 -7.35407396
-0.00024826 0.00012670 0.00000257
0.00027483 -0.00789663 -0.02472644
11.64463481 -10.34037669 -11.35642825
0.00006553 0.00036926 -0.00001836
0.00439984 0.01477828 -0.02463964
-8.93691274 -10.67020482 16.32017609
-0.00023013 0.00018427 -0.00031966
-0.05051958 0.00891273 -0.00665616
7.06770239 1.58915641 -27.93186515
0.00020896 -0.00006272 -0.00000957
-0.03035585 -0.02012743 -0.00860334
12.61417471 18.54222284 12.77936056
-0.00012515 -0.00029073 -0.00021458
-0.03759454 -0.00728160 0.00074081
26.03821929 7.54987974 -11.06240916
0.00015319 -0.00001214 0.00007797
0.02937615 0.00095096 -0.01397843
5.06743061 -29.87040827 -4.85792054
-0.00032607 0.00025839 0.00033058
-0.00307719 0.00037945 0.00697787
3.89190271 -29.97735161 -2.11615789
-0.00048708 -0.00013212 0.00038948
0.00551826 -0.00708184 -0.00207579
-10.02541036 2.49724301 -8.70216292
-0.00063000 0.00052687 -0.00007821
0.03204689 0.00689452 0.00873801
-11.80577099 2.56018970 -11.03431205
0.00008143 0.00014983 0.00030008
0.00186002 0.00478725 -0.00445266
-36.67550824 3.12333184 3.02199720
0.00015691 -0.00008580 0.00005649
-0.01887629 0.05349491 -0.01616449
-37.71989627 0.49868019 3.77406427
-0.00003609 0.00092907 -0.00092709
0.02206389 0.01956001 -0.01597792
-8.77873051 -3.94441405 1.53207846
-0.00098487 0.00040672 0.00041438
-0.00669859 -0.00657018 -0.00383333
-6.42924925 -5.00105433 2.86967346
-0.00034198 -0.00029623 0.00017568
-0.00396026 0.00180432 -0.00170753
2.97252811 -0.08265251 7.31218726
0.00039689 0.00001288 -0.00022848
-0.01343961 -0.00010350 0.03942133
1.59764336 1.70443383 9.23096235
-0.00028118 -0.00084612 -0.00023834
-0.01006471 0.00702273 0.00336906
-29.95701969 0.16346037 2.88015735
-0.00085954 0.00033866 0.00045845
0.00031453 -0.01419672 -0.00159632
-32.78308814 0.96832518 2.77920451
-0.00068321 -0.00043139 0.00022035
-0.01935207 -0.00747975 0.00305620
15.69782550 11.55505341 -18.50804542
0.00008044 -0.00032943 -0.00016168
0.03075022 0.04820704 0.00709585
18.38998724 12.51373618 -17.54576239
-0.00083102 0.00070950 -0.00099267
-0.00713722 -0.00154250 0.00245420
-2.88415518 6.67894712 6.14362512
0.00018638 -0.00010606 0.00003367
-0.00275746 0.00285931 0.00727552
-2.80582964 5.11348131 3.85667504
0.00039758 -0.00039937 0.00034936
0.01549690 -0.00451558 -0.04278956
6.26573519 16.41159364 -8.81076418
0.00086640 -0.00001152 0.00088350
-0.00446781 0.01402768 0.02865368
7.01840205 18.10311647 -6.45870963
0.00042079 0.00008403 0.00149043
0.01074802 0.00497386 0.00391072
7.84375377 5.45181916 -22.56871379
0.00009178 0.00065156 -0.00091757
-0.01965251 -0.01292965 -0.01013134
8.62562062 6.99514800 -20.69909954
-0.00023822 0.00050656 0.00057645
-0.00683178 0.00678447 0.02905177
19.24541177 21.15822850 -4.38281785
-0.00099352 -0.00077319 -0.00057552
-0.01410141 -0.01066738 0.01143045
19.50660371 19.77196525 -6.79183199
0.00034083 0.00007181 -0.00010682
-0.01038406 -0.01322096 0.01726210
1.34539516 12.38598385 -20.95066790
-0.00051050 -0.00009725 -0.00124545
0.00662195 0.00024888 -0.00130758
0.71892785 14.85436394 -22.29378022
-0.00028267 -0.00015361 -0.00012360
-0.01957542 0.00702694 -0.00165781
9.89673876 -6.99124247 0.14813137
-0.00050570 0.00020457 0.00111009
0.00771302 0.00641909 -0.00418974
9.39719228 -4.16731038 -0.44903139
0.00013938 -0.00074516 0.00156322
-0.00763872 0.01252028 -0.00711013
-18.25882204 -5.54994818 6.63626469
-0.00021460 -0.00100744 -0.00016126
0.00402891 0.00400538 0.00729874
-18.76112227 -5.01143449 3.97165802
-0.00018867 0.00024155 -0.00000157
-0.00524023 -0.00106515 -0.01908798
-14.46008814 -0.04981244 19.25148262
-0.00029552 -0.00050933 0.00042479
0.00230764 -0.03126726 0.01805266
-14.51250285 -0.23185902 22.13430091
-0.00063043 0.00035334 -0.00002226
0.00128507 -0.00179291 0.00960446
1.03440670 2.66068482 -2.64450972
-0.00023041 -0.00025947 -0.00056607
0.00687505 0.00617988 -0.01626619
1.93405695 2.67615665 -5.45743505
-0.00046677 0.00111085 -0.00108077
0.00022778 -0.01832635 -0.00891319
21.28692443 -10.45455676 -6.22282864
-0.00039851 0.00068703 0.00045834
0.01234949 0.00778273 -0.04401182
22.68923900 -10.02805520 -3.60346998
-0.00048150 -0.00044730 -0.00163095
0.01944363 0.01053400 -0.00471547
4.77326438 -10.37260616 6.76690402
0.00028933 0.00014010 -0.00067682
-0.03790378 -0.00649364 0.02024557
3.40127791 -11.62224124 9.14296271
-0.00008469 0.00061539 0.00026788
-0.00204488 0.00755583 -0.00942971
-2.03148099 -3.41922303 -20.72637754
0.00030406 -0.00001375 0.00050973
-0.00093235 0.01620045 0.00851800
-3.10193760 -2.06934916 -18.35262419
0.00058707 -0.00024688 0.00095884
0.00792244 0.00464539 -0.00908346
0.89302388 4.79730150 -10.51380941
0.00041166 -0.00037348 -0.00070673
-0.01199507 -0.00417842 0.01283114
-1.15468441 3.23104364 -8.88039673
0.00069217 -0.00035997 0.00171836
0.00544453 0.00720275 0.01026741
-4.03785425 15.77528135 15.66715590
-0.00034845 0.00093545 0.00075452
-0.01048919 -0.01456066 -0.01499098
-6.71964574 15.15790064 14.74929233
-0.00033007 0.00028413 -0.00075583
0.01152714 -0.00740761 -0.00206121
-6.63442631 2.08960414 -5.99778313
0.00045270 0.00006837 0.00067085
0.01061103 -0.00221397 -0.01117037
-4.94471770 1.55238610 -8.46109708
-0.00065184 0.00026871 -0.00082174
-0.01213307 0.00612348 0.00450715
-9.93697971 -0.70935872 -3.78983213
-0.00035871 0.00014136 0.00050255
-0.00959999 -0.00659390 0.00959129
-9.69994119 2.14569683 -2.84553029
-0.00033180 -0.00054307 -0.00023276
-0.01416701 0.02804906 0.03041824
3.39569423 28.94182412 4.91986381
0.00057000 0.00013622 0.00040041
0.00740353 0.02415652 -0.01437252
3.10485360 27.77352926 7.60844456
-0.00002724 0.00109882 0.00103220
-0.00060256 0.00447345 -0.01386475
8.07680811 -11.06855504 -1.27103447
-0.00017576 -0.00044893 -0.00115418
-0.04279337 -0.00366955 0.00478919
10.70277999 -11.47496797 0.01229883
-0.00014522 -0.00121821 -0.00023787
-0.00607208 -0.00387186 0.00298684
-5.40667517 -0.15081811 8.69828638
0.00015420 0.00071978 0.00040618
-0.01462267 0.02392250 0.01269845
-8.29974014 -0.00898151 9.03543836
-0.00066938 0.00048110 0.00022768
0.01745966 0.01693933 0.00776901
20.21567116 10.79566149 8.75768415
-0.00109582 -0.00063823 -0.00087463
-0.00918766 -0.00138219 -0.00611390
22.13300624 10.74963553 6.67737816
-0.00116939 -0.00016854 0.00010084
-0.04173821 0.00713297 -0.00016324
-2.96087478 -0.14180179 -22.60669405
-0.00035280 -0.00038654 0.00081320
0.00414250 -0.01714354 0.03152381
-4.72558089 1.46608737 -24.03664644
0.00059227 0.00025195 0.00032828
-0.08599153 0.02256788 -0.00773606
-12.36138380 9.97540883 9.56008477
0.00012117 -0.00040007 -0.00010127
-0.01014950 -0.01642813 -0.00201106
-13.56736761 9.33119876 7.05824094
-0.00068431 -0.00047489 -0.00006357
-0.00641290 0.00546197 -0.01573772
-14.82781367 4.91904188 -4.38043772
-0.00032561 0.00028377 -0.00005198
0.00018322 -0.00887835 -0.00926750
-13.62412193 7.53455097 -4.32927034
0.00013146 -0.00068206 -0.00078979
-0.00251858 0.03451741 -0.01544271
-4.35281556 -15.81215212 20.46515581
-0.00023393 -0.00065456 0.00045447
0.02683340 0.00335281 0.00399405
-1.86023327 -16.73874526 19.40651817
-0.00070111 0.00032281 -0.00020813
0.00644811 0.00021906 -0.00414626
-5.52959104 6.16534871 -7.48575948
-0.00085786 -0.00027152 0.00039908
-0.00094953 -0.00675303 -0.00148493
-7.38059102 8.30725699 -6.79857477
0.00020027 -0.00011347 0.00056411
0.00471032 0.00406102 -0.00669259
-20.83346231 28.99881777 1.02320842
0.00082126 0.00025837 0.00036172
-0.00645101 -0.01179864 -0.00702141
-18.02305393 29.57171589 0.24584699
-0.00002759 0.00028471 -0.00047723
-0.00602262 -0.00581344 0.00871347
9.15821376 2.73167136 6.55968018
-0.00071475 -0.00057854 -0.00058844
0.00868274 0.02129388 0.01976051
9.20888026 5.53568229 7.85538414
0.00015572 0.00113946 0.00075139
-0.00006798 0.00022358 0.00355882
7.69075611 17.73707679 -12.31827744
0.00009595 0.00024155 -0.00014112
0.01238424 0.01740569 -0.00980258
8.41480351 14.93202010 -12.32182877
0.00011442 0.00000326 -0.00032482
-0.00694628 0.00980728 0.00911972
12.22382280 5.96633033 -1.18895076
0.00025572 0.00038121 -0.00024996
-0.04314516 0.03626449 0.00858362
13.61352111 3.72530787 0.29199765
-0.00023668 -0.00031461 0.00006909
-0.00941697 0.01946353 -0.01499243
-4.56195038 10.45975613 -1.84201847
-0.00076378 -0.00043968 -0.00001762
-0.00998692 0.03003393 -0.01429527
-6.94554805 10.74643440 -0.52138533
0.00074595 0.00045854 -0.00002395
-0.01268801 0.01127942 0.00188085
7.47626637 14.40348982 5.04215383
0.00045127 -0.00052784 0.00054585
0.00861230 -0.03749484 0.00167931
9.19539111 12.00876928 4.37948600
-0.00078157 0.00019274 0.00121860
0.01678331 -0.00435822 -0.01307261
20.21118911 -13.03293130 -8.80241333
-0.00032676 0.00034232 -0.00019286
-0.02211509 -0.02706740 0.01340985
23.14913239 -12.62819859 -9.39672862
-0.00136597 -0.00029861 -0.00122377
-0.04137418 0.00961651 0.00133268
19.65463569 -4.97003681 -2.52611889
-0.00056146 -0.00008570 0.00065245
0.00407043 0.00307463 0.00804596
18.26844778 -6.92677524 -1.06119712
0.00081831 -0.00023564 0.00100041
-0.00133836 -0.01169739 0.00936804
13.95193806 9.45174141 9.24188679
-0.00029718 -0.00048045 0.00049833
-0.00795843 0.00509973 -0.00504511
15.41738709 7.59513426 10.75109192
0.00092208 -0.00029071 0.00035796
-0.00032412 0.00390902 -0.02523151
3.03672301 -15.02194952 17.40543367
0.00008593 -0.00121095 0.00006756
-0.00232396 -0.02037023 -0.00077631
3.14336881 -12.30624801 17.24283496
0.00013983 0.00043134 -0.00056742
0.01122347 0.00730405 -0.01105637
-2.69960543 -3.74942617 -12.52000548
-0.00036970 -0.00038583 0.00009910
0.00095907 -0.00174128 -0.00202350
-0.79567398 -1.93803917 -13.88073333
-0.00073597 -0.00049763 -0.00097961
-0.00592193 0.00270388 0.00815842
15.79119625 -7.46226473 -14.97393780
-0.00055201 -0.00033081 0.00045103
0.00743346 -0.00906168 -0.00633613
16.85083015 -8.20724476 -12.31577379
0.00021892 0.00064986 -0.00066820
0.02235742 -0.01107030 0.01019478
8.27736549 -3.33050501 5.84174654
0.00113459 0.00058289 -0.00025687
-0.02522397 0.00296736 -0.02077628
10.87942141 -4.62193556 5.23734223
0.00075466 -0.00005522 0.00070580
-0.01801642 0.01771406 0.01365041
-20.84877779 0.27743950 25.21362146
0.00124614 -0.00053928 -0.00079765
0.01300474 0.00842385 -0.01308822
-19.61386919 2.72152216 26.11583864
-0.00055268 0.00014142 0.00027947
0.00413428 0.00681175 -0.00271644
25.10771190 -2.58655746 -7.58855755
-0.00076722 0.00092165 -0.00008581
0.00400617 -0.00095177 0.01577755
23.61986370 -0.82923983 -9.13258891
0.00064295 0.00048871 0.00027050
0.00175791 0.00963657 0.00832943
12.05210320 -10.60671936 -9.61637810
0.00070724 -0.00122022 -0.00036805
0.00959254 0.00416820 0.01677636
12.93662450 -9.22835108 -12.20356795
-0.00007803 0.00088497 -0.00017193
-0.00746473 -0.00611293 0.01605492
-7.48488165 -10.76840833 17.33003939
-0.00068589 0.00010571 -0.00038555
0.03996995 0.00068438 0.01662312
-10.09953160 -10.14922547 17.68200409
0.00040421 0.00096368 -0.00040131
-0.00343931 -0.00810541 -0.01542750
8.16554152 1.22764983 -29.39714982
0.00061872 -0.00054653 -0.00051754
0.00681148 0.01240289 0.00336338
5.41098784 0.84390945 -28.40728364
0.00030977 0.00035295 -0.00013186
0.01852012 0.00816759 0.00638070
13.93860244 19.29020273 13.64011944
-0.00025519 -0.00014333 -0.00021180
0.02929211 0.02282597 0.02574442
13.45268565 17.75738936 11.43066847
0.00126834 -0.00016844 -0.00001628
0.00978917 -0.01788459 -0.02609423
27.86238123 7.81951315 -11.53805895
-0.00034067 0.00006253 -0.00018772
-0.01922265 -0.00390261 -0.00481240
26.16913038 7.66355284 -9.24977107
0.00038711 0.00013675 0.00004506
-0.00223134 0.00081878 0.02151532
-7.81637964 4.72862126 6.17403170
0.00009743 0.00000874 0.00012667
-0.00300110 -0.00270619 0.00305785
-10.26210260 9.10928872 3.08802768
0.00030304 -0.00011237 0.00025552
0.00923280 -0.00160075 0.00600770
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.07599638
0.29508627
393.18765835
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0599563953
ExchangeOperator: pair fraction: ispin=0: 0.1497674419
ExchangeOperator: bisection time: 1.514 s
total exchange = -52.4033062526 (a.u.)
total exchange computation time: 2.9904310703 s
-154.2110513251
-931.37135712
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0599563953
ExchangeOperator: pair fraction: ispin=0: 0.1497674419
ExchangeOperator: bisection time: 1.513 s
total exchange = -52.4025268141 (a.u.)
total exchange computation time: 2.9905419350 s
-154.2187134370
Anderson extrapolation: theta=1.3381251015 (1.3381251015)
-931.37161346
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0599563953
ExchangeOperator: pair fraction: ispin=0: 0.1497674419
ExchangeOperator: bisection time: 1.515 s
total exchange = -52.4013787316 (a.u.)
total exchange computation time: 2.9931690693 s
-154.2295576761
Anderson extrapolation: theta=0.0496780919 (0.0496780919)
-931.37176541
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0599563953
ExchangeOperator: pair fraction: ispin=0: 0.1497674419
ExchangeOperator: bisection time: 1.515 s
total exchange = -52.4012389386 (a.u.)
total exchange computation time: 2.9907381535 s
-154.2306244718
Anderson extrapolation: theta=1.8612620493 (1.8612620493)
-931.37177093
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0599563953
ExchangeOperator: pair fraction: ispin=0: 0.1497674419
ExchangeOperator: bisection time: 1.515 s
total exchange = -52.4009530721 (a.u.)
total exchange computation time: 2.9908010960 s
-154.2327412574
Anderson extrapolation: theta=0.2158674675 (0.2158674675)
-931.37177648
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0599563953
ExchangeOperator: pair fraction: ispin=0: 0.1497674419
ExchangeOperator: bisection time: 1.514 s
total exchange = -52.4008832662 (a.u.)
total exchange computation time: 2.9903810024 s
-154.2332115998
Anderson extrapolation: theta=1.9119421671 (1.9119421671)
-931.37177753
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0599563953
ExchangeOperator: pair fraction: ispin=0: 0.1497674419
ExchangeOperator: bisection time: 1.512 s
total exchange = -52.4007697136 (a.u.)
total exchange computation time: 2.9900658131 s
-154.2339340686
Anderson extrapolation: theta=0.2866374350 (0.2866374350)
-931.37177891
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0599563953
ExchangeOperator: pair fraction: ispin=0: 0.1497674419
ExchangeOperator: bisection time: 1.514 s
total exchange = -52.4007583850 (a.u.)
total exchange computation time: 2.9950590134 s
-154.2339618068
Anderson extrapolation: theta=1.3073791050 (1.3073791050)
-931.37177926
65.583204 -17.450259 -166.833948
560.782822 1074.443082 -407.291723
626.366026 1056.992823 -574.125671
1356.166845
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0599563953
ExchangeOperator: pair fraction: ispin=0: 0.1497674419
ExchangeOperator: bisection time: 1.512 s
total exchange = -52.4007604987 (a.u.)
total exchange computation time: 2.9907667637 s
679.19499984
-1084.88120077
89.84479114
-388.26521427
-174.86439501
78.87442955
551.60419304
0.00000000
-931.37177957
4.55097457 -31.02017539 -3.48518310
-0.00001211 -0.00031440 -0.00004318
-0.00162879 0.00592123 -0.00094878
-11.64839886 2.14312816 -9.25693266
0.00032874 0.00009253 0.00020249
-0.04420423 -0.01286703 -0.01067898
-36.19171592 1.44345099 3.16763963
0.00000857 -0.00000327 0.00024983
-0.00436992 -0.07882835 0.03016795
-7.39954692 -3.46108661 2.64052487
0.00022388 0.00005089 0.00007048
0.00672926 -0.00276884 0.00608414
2.24042268 0.01787435 9.08567023
-0.00004455 -0.00016634 0.00017896
0.02556976 -0.01873873 -0.04784863
-31.09036891 1.54840892 2.56495105
0.00010392 0.00031375 -0.00013473
0.01035103 0.02138149 0.00357936
16.83644853 13.16180834 -18.33825870
-0.00006113 -0.00010844 -0.00034376
-0.03666176 -0.03671845 -0.00525662
-3.45192175 5.06702351 5.47798746
-0.00003704 -0.00012968 -0.00019401
-0.01236875 0.00590890 0.03481528
5.67685144 17.04823588 -7.04540064
-0.00029059 -0.00013345 -0.00033245
-0.00008258 -0.00821606 -0.02326302
7.23528013 5.77619495 -20.82885239
0.00006061 0.00017309 0.00026997
0.02800362 0.01695534 -0.02489384
18.60702269 19.56844576 -5.16249759
0.00011147 -0.00001789 -0.00008482
0.02370180 0.01035335 -0.03244369
1.96941474 14.08901360 -21.24210636
0.00013535 0.00038586 -0.00002936
0.00739326 -0.00619256 0.01006849
10.53974228 -5.28100338 0.42377729
0.00012840 0.00005601 -0.00009231
0.00639315 -0.02488511 0.01263186
-17.79787177 -4.33768122 5.34545802
0.00064318 -0.00040754 0.00000018
-0.00139647 -0.00939326 0.01295990
-14.30078759 -1.34054942 20.70407217
-0.00006173 0.00012343 0.00005413
-0.00449622 0.02946253 -0.02879906
1.60515524 3.73022631 -4.05361190
0.00001147 -0.00012568 -0.00008722
-0.00669183 0.01129079 0.02535028
21.24062260 -10.58834333 -4.47543939
-0.00003767 0.00010985 0.00018968
-0.04037297 -0.01562853 0.04714219
3.06833294 -10.51111181 7.69215554
0.00006886 -0.00026062 -0.00027999
0.03982528 -0.00095286 -0.01684726
-1.96998995 -1.77137653 -19.78684593
-0.00016479 -0.00007328 -0.00047583
-0.00631488 -0.02286954 0.00798827
-0.62739404 3.74521474 -10.53480305
-0.00038739 0.00032133 -0.00040787
0.00638879 0.00061167 -0.00719351
-4.94812867 14.73569826 14.40963759
0.00009107 0.00012027 -0.00023728
0.00050400 0.02587835 0.01764755
-5.29931094 2.77941019 -7.13661147
0.00017803 0.00006459 0.00031351
-0.00310850 -0.00961550 0.00407392
-9.23104645 0.92306713 -4.01799732
0.00018184 0.00023355 -0.00008097
0.03093778 -0.03147343 -0.05233820
2.86049862 27.48986062 5.79529127
-0.00010098 -0.00010115 -0.00019219
-0.00426619 -0.01768966 0.04024774
9.79523285 -10.84051684 -1.46399386
-0.00038256 0.00005304 0.00005443
0.04583396 0.01795921 -0.01594082
-6.77099420 1.05692325 9.28337001
0.00004110 -0.00011441 -0.00009090
-0.00537903 -0.03774442 -0.01829318
20.17394798 10.77256466 6.90479154
0.00008540 -0.00013802 0.00007178
0.05270061 -0.00840446 0.00206698
-3.09429487 1.04324344 -23.93286883
0.00001766 -0.00002501 -0.00030682
0.08761593 -0.00881845 -0.01479514
-13.53972415 8.69561911 8.73840222
0.00026528 -0.00020146 0.00024003
0.00207367 -0.00018015 0.01824037
-13.64162924 5.97883374 -3.51427747
-0.00017801 -0.00019300 -0.00027112
0.00678116 -0.02704395 0.02406660
-2.50413875 -15.46361085 20.53174113
-0.00034576 -0.00012567 0.00001063
-0.04143418 -0.00181071 0.00691195
-5.94721877 7.90969238 -7.88457371
0.00019792 0.00045607 0.00006546
-0.00198424 -0.00684154 0.00203135
-19.58647932 30.27728842 0.88335589
0.00015955 -0.00023158 -0.00010381
0.00964539 0.02790881 0.00293715
9.86739747 3.81098479 7.94282275
0.00014156 -0.00011395 -0.00001907
-0.00607065 -0.02259442 -0.02382105
7.26910145 16.18014437 -11.56742127
-0.00001917 0.00020143 0.00013298
-0.00324108 -0.03267599 -0.00178861
13.51178141 4.82147020 -1.26821970
-0.00021603 -0.00046979 -0.00002853
0.05645413 -0.04812270 0.01028310
-6.03232844 11.67977680 -1.80254059
0.00022373 0.00016188 0.00058172
0.03403567 -0.03605870 0.00856555
7.71677450 12.52229561 5.27090128
-0.00015229 -0.00002201 -0.00008625
-0.03270381 0.04907861 0.01153009
21.38820318 -11.88443774 -9.43084614
-0.00048812 0.00017153 0.00025573
0.05195449 0.02314647 -0.02435469
19.71217748 -5.82392168 -0.86895603
-0.00026704 0.00021863 0.00030583
0.00273846 0.01046868 -0.01561812
15.02607636 8.02264451 8.93733754
0.00046291 0.00000249 0.00035297
0.01105639 -0.01121975 0.03644989
3.83132626 -13.76830394 16.35984120
-0.00005841 0.00006892 -0.00005203
-0.00846545 0.00161323 0.00786273
-2.58685130 -2.26408967 -13.56516627
0.00012365 0.00026217 0.00018090
-0.00529820 -0.00552915 -0.00189489
15.50609719 -7.42468330 -13.17037807
-0.00004573 -0.00008210 -0.00004149
-0.03532132 0.01926494 -0.00255924
9.82388732 -3.81035497 6.55367033
0.00010481 -0.00018084 -0.00041589
0.04890713 -0.01850481 0.00821251
-19.41551080 1.41449119 24.82974179
-0.00020373 -0.00013603 -0.00001064
-0.01533820 -0.01455728 0.01161672
24.07790216 -1.05664157 -7.35413086
-0.00024878 0.00012385 -0.00000932
-0.00227427 -0.00318548 -0.02150317
11.64563473 -10.33478074 -11.35679868
0.00006789 0.00037692 -0.00003107
0.00478458 0.01499098 -0.02477990
-8.94055963 -10.66740643 16.31535555
-0.00025629 0.00018884 -0.00032356
-0.05119080 0.00886585 -0.00850491
7.07071964 1.58813796 -27.93204183
0.00019439 -0.00007314 -0.00001488
-0.02628626 -0.02039768 -0.01204855
12.61215247 18.53783378 12.77614471
-0.00014360 -0.00029500 -0.00021515
-0.03415911 -0.00932210 -0.00294490
26.04063050 7.54970129 -11.06129359
0.00016769 -0.00001173 0.00007093
0.02699146 0.00064516 -0.01339924
5.06244519 -29.86652074 -4.85274808
-0.00033827 0.00025944 0.00035797
-0.00289083 0.00013091 0.00643216
3.88476564 -29.97955042 -2.11037935
-0.00046185 -0.00016626 0.00037550
0.00682914 -0.00963026 -0.00476552
-10.03387838 2.50535734 -8.70306838
-0.00048332 0.00055879 -0.00003656
0.03975759 0.00872998 0.01165452
-11.80449256 2.56258386 -11.02994730
0.00008851 0.00016949 0.00028078
0.00160665 0.00483774 -0.00499323
-36.67373303 3.12368411 3.02234922
0.00008110 0.00013405 -0.00001050
-0.01823485 0.05412294 -0.01662829
-37.71976148 0.51321562 3.75966837
0.00004584 0.00100224 -0.00098817
0.01803916 0.01625875 -0.01392308
-8.79370879 -3.93851455 1.53817673
-0.00100451 0.00038136 0.00040423
-0.00291806 -0.00584397 -0.00113807
-6.43450024 -5.00544247 2.87225636
-0.00035848 -0.00028889 0.00016813
-0.00411962 0.00178967 -0.00198793
2.97806968 -0.08246254 7.30996801
0.00033994 0.00001228 -0.00006249
-0.01444099 -0.00019043 0.04183385
1.59311724 1.69195726 9.22749050
-0.00032573 -0.00080823 -0.00022376
-0.01174242 0.01152201 0.00377013
-29.96990319 0.16810526 2.88698524
-0.00085120 0.00027510 0.00045311
0.00376793 -0.01691563 -0.00102085
-32.79392935 0.96162513 2.78260348
-0.00074668 -0.00045456 0.00023039
-0.01171678 -0.00386393 0.00185729
15.69997434 11.55158918 -18.51025322
0.00020555 -0.00013252 -0.00013300
0.03049206 0.04818098 0.00694414
18.37730322 12.52433138 -17.56057723
-0.00084628 0.00069757 -0.00097619
-0.00033083 -0.00429496 0.00561412
-2.88144393 6.67744378 6.14435313
0.00017414 -0.00009699 0.00006205
-0.00323812 0.00158040 0.00661612
-2.79939114 5.10735239 3.86060419
0.00046331 -0.00041784 0.00016955
0.01667938 -0.00452475 -0.04522584
6.27859426 16.41185071 -8.79663360
0.00084882 0.00004400 0.00099418
-0.00413621 0.01314677 0.02552258
7.02504328 18.10452936 -6.43623332
0.00044850 0.00009177 0.00149903
0.00281521 -0.00118571 0.00029584
7.84452827 5.46119643 -22.58278786
0.00000882 0.00060207 -0.00094652
-0.02095750 -0.01129799 -0.00403986
8.62183798 7.00295426 -20.68956256
-0.00026634 0.00053264 0.00069394
-0.00693112 0.00598307 0.02845886
19.23007688 21.14630372 -4.39110034
-0.00104562 -0.00080371 -0.00052206
-0.01140286 -0.00427206 0.01473880
19.51139803 19.77263723 -6.79290539
0.00029776 0.00001756 -0.00003508
-0.01069942 -0.01333538 0.01785503
1.33794054 12.38453266 -20.96938968
-0.00047939 -0.00009070 -0.00125033
0.00861018 0.00296085 -0.00108223
0.71408791 14.85227508 -22.29568506
-0.00036041 -0.00012363 -0.00012961
-0.01847827 0.00765024 -0.00128328
9.88938963 -6.98797725 0.16465426
-0.00047410 0.00022896 0.00109268
0.00775455 0.00551987 -0.00433052
9.39904892 -4.17810414 -0.42580097
0.00009578 -0.00068179 0.00152460
-0.01370226 0.01850158 -0.01179639
-18.26191763 -5.56493707 6.63406951
-0.00019572 -0.00098598 -0.00013615
0.00521461 0.00650148 0.00499019
-18.76411290 -5.00784396 3.97104949
-0.00020780 0.00023896 -0.00007695
-0.00412479 -0.00020230 -0.01780984
-14.46445017 -0.05841052 19.25840763
-0.00028638 -0.00063240 0.00049349
0.00216455 -0.02897462 0.01557945
-14.52191994 -0.22661387 22.13426134
-0.00062473 0.00034425 0.00001478
0.00150329 -0.00265858 0.00852611
1.03116125 2.65698207 -2.65349927
-0.00020342 -0.00023680 -0.00063080
0.00633627 0.00491780 -0.01541877
1.92706236 2.69225780 -5.47391970
-0.00046612 0.00103536 -0.00111608
0.00009291 -0.01862784 -0.00837037
21.28132524 -10.44401287 -6.21730217
-0.00034996 0.00071836 0.00027547
0.01141307 0.00755314 -0.04550481
22.68261234 -10.03444189 -3.62807879
-0.00038091 -0.00039614 -0.00163607
0.02979458 0.01451023 0.00221201
4.77644278 -10.37070361 6.75737217
0.00013172 0.00011244 -0.00059127
-0.03924597 -0.00704930 0.02162771
3.39994487 -11.61277883 9.14669194
-0.00009174 0.00064524 0.00023000
-0.00140460 0.00705570 -0.00911137
-2.02694860 -3.41893290 -20.71847053
0.00029954 0.00004693 0.00054091
-0.00128054 0.01350483 0.00674099
-3.09288876 -2.07290998 -18.33852001
0.00062451 -0.00022628 0.00091377
0.01040194 0.00543776 -0.01297662
0.89883116 4.79157123 -10.52401720
0.00036065 -0.00039195 -0.00065480
-0.01297344 -0.00486047 0.01259086
-1.14413509 3.22586475 -8.85430666
0.00072201 -0.00032286 0.00173292
0.00916418 0.01096274 -0.00314024
-4.04340242 15.78886698 15.67801431
-0.00039629 0.00086962 0.00068543
-0.01292909 -0.01766637 -0.01882881
-6.72424351 15.16193555 14.73789165
-0.00027889 0.00025267 -0.00076499
0.01352265 -0.00799149 -0.00241953
-6.62731071 2.09056188 -5.98806270
0.00049564 0.00005896 0.00062469
0.01040838 -0.00239164 -0.01142525
-4.95486707 1.55660434 -8.47328503
-0.00070279 0.00029868 -0.00079771
-0.01280688 0.00854872 0.00725517
-9.94265453 -0.70744035 -3.78200003
-0.00039450 0.00012004 0.00053958
-0.00792191 -0.00384236 0.00853746
-9.70535229 2.13841035 -2.84808951
-0.00039163 -0.00042196 -0.00010340
-0.01512194 0.03123105 0.03290167
3.40447114 28.94460758 4.92542960
0.00059941 0.00023237 0.00034163
0.00699003 0.02290977 -0.01440070
3.10442647 27.79014860 7.62350264
-0.00003271 0.00111215 0.00095786
-0.00207278 0.00205518 -0.02252139
8.07286038 -11.07540137 -1.28820040
-0.00035420 -0.00046523 -0.00113414
-0.04455153 -0.00431095 0.00502094
10.70041562 -11.49335970 0.00882233
-0.00017325 -0.00123223 -0.00022882
-0.00765000 -0.00299155 0.00144130
-5.40481030 -0.13928830 8.70476820
0.00009726 0.00081164 0.00045525
-0.01324578 0.02104383 0.01132149
-8.30924586 -0.00124590 9.03909167
-0.00059425 0.00055007 0.00025895
0.01932077 0.01682102 0.00753821
20.19895240 10.78604573 8.74437729
-0.00113246 -0.00064370 -0.00088609
-0.00875169 -0.00129521 0.00050601
22.11418636 10.74732598 6.67888582
-0.00132903 -0.00013966 0.00009920
-0.03640631 0.00700411 -0.00064035
-2.96603980 -0.14812528 -22.59353007
-0.00033670 -0.00044386 0.00092778
0.00373715 -0.01091214 0.02456578
-4.71933192 1.47055823 -24.03195923
0.00023184 0.00034770 0.00029664
-0.09043930 0.02430166 -0.00775576
-12.35987725 9.96890429 9.55850411
0.00008228 -0.00046388 -0.00010852
-0.00888732 -0.01480609 -0.00153588
-13.57782879 9.32424271 7.05680513
-0.00070986 -0.00045349 -0.00012346
-0.00609341 0.00501827 -0.01357767
-14.83269227 4.92302641 -4.38150133
-0.00032756 0.00024401 -0.00009149
-0.00113807 -0.01058691 -0.01007506
-13.62222726 7.52537784 -4.34159042
0.00012187 -0.00053838 -0.00085378
-0.00217320 0.03581264 -0.01588075
-4.35550232 -15.82186772 20.47209526
-0.00012549 -0.00064039 0.00047100
0.02624843 0.00357961 0.00409785
-1.87055230 -16.73389642 19.40326923
-0.00067232 0.00032040 -0.00022794
0.00764221 -0.00139826 -0.00555396
-5.54248809 6.16106892 -7.47981872
-0.00086125 -0.00029251 0.00039010
-0.00070744 -0.00351839 -0.00291544
-7.37744260 8.30567940 -6.79031821
0.00022084 -0.00009561 0.00053470
0.00535537 0.00468330 -0.00770172
-20.82134108 29.00233184 1.02841900
0.00078569 0.00020021 0.00033411
-0.01095924 -0.01667355 -0.00649294
-18.02365240 29.57580838 0.23895550
-0.00004957 0.00025949 -0.00044259
-0.00473456 -0.00652987 0.00824698
9.14775864 2.72364571 6.55145910
-0.00067511 -0.00048426 -0.00049985
0.01071801 0.02486023 0.02360261
9.21121394 5.55278101 7.86676398
0.00016021 0.00112625 0.00076577
0.00226763 -0.00669011 0.00348458
7.69257486 17.74123347 -12.32069465
0.00014537 0.00030929 -0.00017944
0.01180801 0.01574989 -0.00895232
8.41630688 14.93236954 -12.32642158
0.00008266 0.00004696 -0.00028505
-0.00859950 0.01158429 0.01034535
12.22633645 5.97315967 -1.19243712
0.00008517 0.00052512 -0.00021461
-0.04034065 0.03418234 0.00872002
13.60968230 3.72118508 0.29257466
-0.00027543 -0.00023511 0.00000830
-0.00955062 0.01945564 -0.01476715
-4.57371318 10.45408129 -1.84272085
-0.00079958 -0.00031911 -0.00007664
-0.00753680 0.02898325 -0.01459382
-6.93474759 10.75365813 -0.52168701
0.00068646 0.00049908 -0.00000666
-0.01643357 0.00856589 0.00658470
7.48329926 14.39442324 5.05039310
0.00048469 -0.00067268 0.00055172
0.00774831 -0.03340406 0.00119078
9.18418183 12.01152685 4.39736438
-0.00069609 0.00016890 0.00115515
0.02505937 -0.00730996 -0.01798451
20.20561000 -13.02862597 -8.80489534
-0.00042153 0.00022788 -0.00013611
-0.02427499 -0.02894882 0.01436919
23.12737496 -12.63238305 -9.41504438
-0.00152673 -0.00026201 -0.00121731
-0.03731842 0.00829763 0.00182893
19.64633849 -4.97122813 -2.51608553
-0.00054519 -0.00007077 0.00068037
0.00389610 0.00423391 0.00561950
18.28068139 -6.93066824 -1.04590391
0.00080497 -0.00028912 0.00103726
-0.00519281 -0.01448219 0.00867278
13.94723644 9.44469096 9.24920708
-0.00032858 -0.00046074 0.00047806
-0.00741123 0.00454810 -0.00487609
15.43120836 7.59089335 10.75568811
0.00091974 -0.00027345 0.00025357
-0.00082365 0.00454313 -0.02586897
3.03794079 -15.04073796 17.40642323
0.00008177 -0.00128100 0.00005718
0.00028509 -0.01392008 -0.00430422
3.14581022 -12.29955406 17.23398483
0.00018474 0.00045878 -0.00061097
0.01075721 0.00612710 -0.01026040
-2.70512158 -3.75526695 -12.51858102
-0.00036425 -0.00038585 0.00008587
0.00171175 0.00172829 -0.00445147
-0.80689496 -1.94542075 -13.89517742
-0.00074927 -0.00048559 -0.00094719
-0.00059163 0.00319023 0.00771090
15.78314394 -7.46750453 -14.96736650
-0.00052080 -0.00036726 0.00041677
0.00784374 -0.00878018 -0.01043407
16.85479904 -8.19783605 -12.32548438
0.00031545 0.00060141 -0.00062254
0.02489313 -0.01264633 0.01215673
8.29361139 -3.32167079 5.83725681
0.00102067 0.00059861 -0.00034816
-0.03053933 0.00473095 -0.02391109
10.89018922 -4.62222111 5.24834751
0.00068350 0.00001483 0.00075612
-0.01681836 0.01657883 0.01098342
-20.82968718 0.26960842 25.20125565
0.00128819 -0.00051219 -0.00084741
0.00757733 0.00483867 -0.01127205
-19.62203263 2.72385216 26.11994749
-0.00053575 0.00016421 0.00026423
0.00415301 0.00434715 -0.00474615
25.09632640 -2.57276192 -7.58936117
-0.00074356 0.00090675 -0.00002209
0.00757472 -0.00634184 0.01541139
23.62956177 -0.82161381 -9.12827611
0.00064756 0.00052941 0.00029805
0.00049982 0.01028294 0.00515462
12.06300579 -10.62489489 -9.62138477
0.00074648 -0.00120210 -0.00030117
0.00961267 0.00469954 0.01595985
12.93522535 -9.21526390 -12.20565487
-0.00010949 0.00085743 -0.00010429
-0.00793649 -0.00736572 0.01705116
-7.49394521 -10.76680164 17.32476559
-0.00051698 0.00010773 -0.00031526
0.04271381 0.00030332 0.01778252
-10.09357382 -10.13501863 17.67551176
0.00038650 0.00093146 -0.00046215
-0.00523140 -0.00766882 -0.01435694
8.17503097 1.21983190 -29.40480981
0.00064109 -0.00049358 -0.00049631
0.00413948 0.01351677 0.00702616
5.41620195 0.84945399 -28.40906607
0.00038236 0.00038477 -0.00010639
0.01701371 0.00740639 0.00608639
13.93567217 19.28875219 13.63773138
-0.00013713 -0.00004954 -0.00010578
0.02849952 0.02308621 0.02615287
13.47201077 17.75431473 11.42962461
0.00130298 -0.00023776 -0.00011614
0.00716561 -0.01604874 -0.02278396
27.85668213 7.82033151 -11.54102227
-0.00041453 0.00004718 -0.00020814
-0.01693235 -0.00361180 -0.00517930
26.17486863 7.66562923 -9.24843591
0.00037749 0.00014029 0.00013283
-0.00247863 0.00091384 0.02145145
-7.81492631 4.72874503 6.17593993
0.00009634 0.00000778 0.00012775
-0.00308549 -0.00265241 0.00296635
-10.25754089 9.10760040 3.09187091
0.00030518 -0.00011273 0.00025689
0.00916154 -0.00150758 0.00584240
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.07601914
0.29576043
394.08594409
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0599563953
ExchangeOperator: pair fraction: ispin=0: 0.1497674419
ExchangeOperator: bisection time: 1.605 s
total exchange = -52.4080343014 (a.u.)
total exchange computation time: 2.9915080070 s
-154.2263944825
-931.37258839
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0599563953
ExchangeOperator: pair fraction: ispin=0: 0.1497674419
ExchangeOperator: bisection time: 1.608 s
total exchange = -52.4071720397 (a.u.)
total exchange computation time: 2.9925730228 s
-154.2346701021
Anderson extrapolation: theta=1.3378087030 (1.3378087030)
-931.37285273
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0599563953
ExchangeOperator: pair fraction: ispin=0: 0.1497674419
ExchangeOperator: bisection time: 1.603 s
total exchange = -52.4059105864 (a.u.)
total exchange computation time: 2.9920871258 s
-154.2463384528
Anderson extrapolation: theta=0.0496027068 (0.0496027068)
-931.37300907
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0599563953
ExchangeOperator: pair fraction: ispin=0: 0.1497674419
ExchangeOperator: bisection time: 1.604 s
total exchange = -52.4057630621 (a.u.)
total exchange computation time: 2.9935789108 s
-154.2474530095
Anderson extrapolation: theta=1.8656939829 (1.8656939829)
-931.37301471
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0599563953
ExchangeOperator: pair fraction: ispin=0: 0.1497674419
ExchangeOperator: bisection time: 1.605 s
total exchange = -52.4054613845 (a.u.)
total exchange computation time: 2.9909868240 s
-154.2496665953
Anderson extrapolation: theta=0.2170225007 (0.2170225007)
-931.37302037
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0599563953
ExchangeOperator: pair fraction: ispin=0: 0.1497674419
ExchangeOperator: bisection time: 1.606 s
total exchange = -52.4053874911 (a.u.)
total exchange computation time: 2.9913558960 s
-154.2501606007
Anderson extrapolation: theta=1.9128838068 (1.9128838068)
-931.37302145
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0599563953
ExchangeOperator: pair fraction: ispin=0: 0.1497674419
ExchangeOperator: bisection time: 1.606 s
total exchange = -52.4052665583 (a.u.)
total exchange computation time: 2.9914181232 s
-154.2509235111
Anderson extrapolation: theta=0.2867938370 (0.2867938370)
-931.37302286
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0599563953
ExchangeOperator: pair fraction: ispin=0: 0.1497674419
ExchangeOperator: bisection time: 1.606 s
total exchange = -52.4052537159 (a.u.)
total exchange computation time: 2.9933419228 s
-154.2509570995
Anderson extrapolation: theta=1.3026161534 (1.3026161534)
-931.37302323
21.169882 26.933552 -166.773806
560.706122 1074.460728 -407.324493
581.876004 1101.394280 -574.098299
1371.582262
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0599563953
ExchangeOperator: pair fraction: ispin=0: 0.1497674419
ExchangeOperator: bisection time: 1.604 s
total exchange = -52.4052545003 (a.u.)
total exchange computation time: 2.9939010143 s
679.25720801
-1085.02440090
89.84328827
-388.16831952
-174.87554490
78.95388662
551.60419304
0.00000000
-931.37302354
4.55078665 -31.02486855 -3.48583447
-0.00001332 -0.00031074 -0.00004295
-0.00307709 0.00829835 0.00183909
-11.64363830 2.14446641 -9.25393649
0.00030450 0.00008547 0.00019646
-0.05005604 -0.01455235 -0.01278510
-36.19160427 1.44309785 3.17150340
0.00000719 -0.00004232 0.00026482
-0.00098226 -0.07302143 0.02813899
-7.39616278 -3.46033402 2.64160561
0.00022634 0.00004928 0.00007297
0.00283413 -0.00348490 0.00357672
2.23985312 0.01530690 9.08817003
-0.00003082 -0.00017690 0.00015393
0.02781693 -0.02231807 -0.04949281
-31.08877017 1.55319761 2.56294389
0.00010650 0.00032438 -0.00013266
-0.00031367 0.01996118 0.00447904
16.83539013 13.16004012 -18.34343534
-0.00008159 -0.00012640 -0.00034726
-0.04291059 -0.03313643 -0.00837867
-3.45252507 5.06510114 5.47521153
-0.00004338 -0.00012632 -0.00017583
-0.01228311 0.00715868 0.03591253
5.67249221 17.04620244 -7.05047716
-0.00028890 -0.00013585 -0.00034236
0.00665687 -0.00111292 -0.01526937
7.23629726 5.77885669 -20.82489885
0.00007535 0.00018155 0.00025583
0.02932812 0.01594557 -0.03010398
18.60878616 19.56821740 -5.16389509
0.00012294 -0.00001436 -0.00010245
0.02089902 0.00336954 -0.03608521
1.97147346 14.09477768 -21.24250795
0.00013827 0.00038195 -0.00002447
0.00395597 -0.00902011 0.00895328
10.54169287 -5.28025922 0.42244144
0.00013322 0.00004197 -0.00008471
0.01236711 -0.02970072 0.01692104
-17.78822951 -4.34383052 5.34551077
0.00064176 -0.00041323 0.00000695
-0.00411827 -0.01272605 0.01334010
-14.30173086 -1.33858430 20.70477308
-0.00006403 0.00013811 0.00004046
-0.00446844 0.02761816 -0.02437634
1.60530153 3.72838461 -4.05482246
0.00000833 -0.00011951 -0.00007485
-0.00552398 0.01270619 0.02276115
21.23990180 -10.58675594 -4.47241230
-0.00006079 0.00010095 0.00021212
-0.04951123 -0.01897949 0.04011155
3.06951941 -10.51502476 7.68789074
0.00008933 -0.00026079 -0.00028901
0.03980160 0.00028463 -0.01823625
-1.97248614 -1.77256396 -19.79395258
-0.00016848 -0.00008437 -0.00047029
-0.00805221 -0.02027111 0.01356595
-0.63318020 3.75003707 -10.54094887
-0.00038471 0.00032088 -0.00040831
0.00400206 -0.00237615 0.00546964
-4.94676073 14.73760206 14.40614641
0.00009140 0.00013438 -0.00022732
0.00081017 0.02902752 0.02108064
-5.29665246 2.78034188 -7.13189306
0.00017666 0.00005922 0.00031492
-0.00222573 -0.01126564 0.00140568
-9.22819950 0.92644898 -4.01941371
0.00019735 0.00021610 -0.00010789
0.02937606 -0.03639671 -0.05234955
2.85896744 27.48827511 5.79256374
-0.00010267 -0.00010909 -0.00016972
-0.00228624 -0.01316849 0.04712769
9.78967132 -10.83965192 -1.46323884
-0.00035867 0.00006215 0.00004672
0.04703864 0.01745800 -0.01404142
-6.77039838 1.05506145 9.28193601
0.00003748 -0.00013281 -0.00009979
-0.00869720 -0.03380863 -0.01628483
20.17543234 10.77046197 6.90587617
0.00011062 -0.00014232 0.00007123
0.04535234 -0.00833009 -0.00419681
-3.09369195 1.04283426 -23.93752822
0.00006263 -0.00003123 -0.00031264
0.08724040 -0.01536504 -0.00781366
-13.53573700 8.69259651 8.74207302
0.00026589 -0.00020185 0.00024848
0.00030852 -0.00133159 0.01460527
-13.64427318 5.97583437 -3.51825137
-0.00017433 -0.00020645 -0.00025858
0.00751140 -0.02524110 0.02466649
-2.50948496 -15.46550289 20.53192720
-0.00036700 -0.00012625 0.00001450
-0.04115556 -0.00042845 0.00813531
-5.94425767 7.91650710 -7.88358397
0.00019675 0.00045145 0.00006709
-0.00256353 -0.01113005 0.00429780
-19.58404883 30.27392241 0.88181005
0.00016516 -0.00021588 -0.00010231
0.01216672 0.03314237 0.00291755
9.86949748 3.80918834 7.94244475
0.00013752 -0.00012463 -0.00003200
-0.00963783 -0.01893154 -0.02642471
7.26880134 16.18303976 -11.56543343
-0.00002025 0.00018486 0.00013143
-0.00096015 -0.03176373 -0.00425970
13.50875877 4.81423769 -1.26860801
-0.00018819 -0.00049328 -0.00002342
0.05180167 -0.04323165 0.00960566
-6.02884120 11.68206585 -1.79378172
0.00024137 0.00014442 0.00058489
0.03454068 -0.03181182 0.00375082
7.71436398 12.52215483 5.26965199
-0.00017080 0.00000262 -0.00007908
-0.03927585 0.04668771 0.01634622
21.38108183 -11.88177547 -9.42710411
-0.00046242 0.00018403 0.00024302
0.04796461 0.02546665 -0.02509281
19.70818239 -5.82060187 -0.86442883
-0.00026466 0.00022428 0.00029861
0.00651906 0.01149527 -0.01244994
15.03306266 8.02263859 8.94277263
0.00046847 -0.00000314 0.00037165
0.01057627 -0.01067949 0.03622065
3.83041745 -13.76726392 16.35909106
-0.00006323 0.00006831 -0.00004734
-0.01028925 -0.00399476 0.01039735
-2.58501699 -2.26017839 -13.56246008
0.00011933 0.00025833 0.00018068
-0.01148751 -0.00941472 0.00102490
15.50527504 -7.42584046 -13.17101028
-0.00006435 -0.00007196 -0.00004218
-0.03708091 0.02015603 -0.00014209
9.82564814 -3.81313890 6.54746370
0.00013053 -0.00019034 -0.00041021
0.05110817 -0.01846620 0.01387075
-19.41862586 1.41239453 24.82962696
-0.00021003 -0.00014179 -0.00000464
-0.00916482 -0.00784191 0.01172642
24.07416175 -1.05479604 -7.35435365
-0.00025062 0.00012345 -0.00001947
-0.00488649 0.00162422 -0.01796500
11.64667156 -10.32906914 -11.35736027
0.00007045 0.00038458 -0.00004358
0.00514566 0.01479818 -0.02386118
-8.94460145 -10.66453965 16.31046939
-0.00028234 0.00019332 -0.00032823
-0.05008912 0.00856177 -0.00966662
7.07353410 1.58696216 -27.93231147
0.00018202 -0.00008362 -0.00002184
-0.02180583 -0.02034761 -0.01504204
12.60986671 18.53337280 12.77290615
-0.00015979 -0.00030021 -0.00021753
-0.02879156 -0.01091570 -0.00633136
26.04324993 7.54952782 -11.06028140
0.00018083 -0.00001149 0.00006439
0.02412846 0.00029797 -0.01202218
5.05728261 -29.86262519 -4.84718142
-0.00034961 0.00025958 0.00038294
-0.00266333 -0.00006039 0.00579182
3.87804710 -29.98233944 -2.10489286
-0.00043161 -0.00021025 0.00035127
0.00797518 -0.01190282 -0.00709357
-10.03990982 2.51400669 -8.70325958
-0.00030853 0.00059762 0.00001586
0.04580306 0.01027987 0.01400425
-11.80311566 2.56527451 -11.02588855
0.00009458 0.00018929 0.00025952
0.00136233 0.00485285 -0.00541499
-36.67307536 3.12735337 3.02168215
0.00000947 0.00035145 -0.00007903
-0.01682770 0.05229629 -0.01691916
-37.71852114 0.52874749 3.74441917
0.00010947 0.00106084 -0.00104024
0.01310712 0.01242545 -0.01156549
-8.80886591 -3.93297320 1.54420525
-0.00100858 0.00035897 0.00040504
0.00092791 -0.00511508 0.00153791
-6.44000369 -5.00972094 2.87471742
-0.00037548 -0.00028177 0.00015953
-0.00420003 0.00169490 -0.00222377
2.98272622 -0.08228424 7.31031260
0.00027981 0.00001121 0.00011115
-0.01499350 -0.00033262 0.04316478
1.58787148 1.68018682 9.22424970
-0.00037679 -0.00075309 -0.00020766
-0.01325263 0.01547225 0.00410706
-29.98255576 0.17171345 2.89375056
-0.00082949 0.00020117 0.00045001
0.00686148 -0.01927448 -0.00049443
-32.80548862 0.95468827 2.78611627
-0.00077911 -0.00046289 0.00023550
-0.00415815 -0.00021404 0.00064192
15.70399191 11.55107777 -18.51203543
0.00032831 0.00006246 -0.00010517
0.02959955 0.04726154 0.00667976
18.36459893 12.53466335 -17.57504800
-0.00083293 0.00067428 -0.00094646
0.00686596 -0.00710727 0.00893643
-2.87893113 6.67603729 6.14548662
0.00015998 -0.00009319 0.00008753
-0.00369078 0.00028227 0.00585712
-2.79193042 5.10094617 3.86176163
0.00053222 -0.00043631 -0.00001588
0.01705413 -0.00451816 -0.04554454
6.29119984 16.41291349 -8.78093885
0.00083310 0.00009533 0.00109083
-0.00356132 0.01198097 0.02179102
7.03185704 18.10586959 -6.41373887
0.00044455 0.00007510 0.00149276
-0.00474869 -0.00697222 -0.00336335
7.84401836 5.46988128 -22.59710952
-0.00007887 0.00055923 -0.00095127
-0.02196844 -0.00967395 0.00171615
8.61763055 7.01112720 -20.67828144
-0.00029475 0.00055537 0.00080866
-0.00697875 0.00514446 0.02769817
19.21404316 21.13411712 -4.39847955
-0.00108645 -0.00080700 -0.00045468
-0.00858213 0.00266222 0.01824056
19.51553662 19.77249193 -6.79288452
0.00025413 -0.00003687 0.00003791
-0.01066070 -0.01330816 0.01787680
1.33101360 12.38326293 -20.98817779
-0.00044028 -0.00007340 -0.00125411
0.01053095 0.00550503 -0.00076982
0.70811550 14.85065507 -22.29766854
-0.00043284 -0.00009161 -0.00013335
-0.01697498 0.00802403 -0.00054817
9.88251575 -6.98437374 0.18091176
-0.00044248 0.00024931 0.00107470
0.00772279 0.00444443 -0.00447144
9.40006580 -4.18776402 -0.40329351
0.00002772 -0.00059445 0.00146758
-0.01961599 0.02425125 -0.01611117
-18.26469362 -5.57952751 6.63218017
-0.00017205 -0.00095458 -0.00012032
0.00637227 0.00886714 0.00275911
-18.76735632 -5.00426582 3.96934946
-0.00022168 0.00024017 -0.00014604
-0.00266995 0.00079827 -0.01600700
-14.46867955 -0.06878434 19.26628744
-0.00027800 -0.00074488 0.00055084
0.00193958 -0.02608509 0.01249288
-14.53124489 -0.22153166 22.13474430
-0.00061807 0.00033146 0.00004713
0.00176024 -0.00360060 0.00730974
1.02830412 2.65358072 -2.66343378
-0.00017905 -0.00021989 -0.00069114
0.00559344 0.00335971 -0.01411857
1.92007346 2.70721732 -5.49091734
-0.00046632 0.00095976 -0.00114770
-0.00019422 -0.01837779 -0.00711189
21.27642551 -10.43300608 -6.21456452
-0.00030548 0.00074833 0.00009078
0.01036256 0.00711725 -0.04490101
22.67781167 -10.03993930 -3.65255203
-0.00023850 -0.00032912 -0.00161373
0.03991450 0.01829409 0.00872089
4.77721595 -10.36923309 6.74916580
-0.00002967 0.00008274 -0.00050104
-0.03975674 -0.00748485 0.02254328
3.39852575 -11.60288401 9.14986277
-0.00009613 0.00067276 0.00019391
-0.00074286 0.00641652 -0.00855825
-2.02249469 -3.41781511 -20.71015038
0.00029367 0.00009568 0.00056438
-0.00159336 0.01036033 0.00475179
-3.08320243 -2.07613754 -18.32521112
0.00067118 -0.00020258 0.00085362
0.01244621 0.00616541 -0.01646709
0.90384334 4.78554308 -10.53345335
0.00030622 -0.00041273 -0.00060400
-0.01367007 -0.00531174 0.01227575
-1.13302413 3.22135774 -8.82840904
0.00076536 -0.00027123 0.00169510
0.01205433 0.01431178 -0.01537221
-4.04974296 15.80136990 15.68771878
-0.00045295 0.00079220 0.00060200
-0.01480531 -0.02023065 -0.02200946
-6.72801252 15.16548069 14.72634269
-0.00022048 0.00021905 -0.00077543
0.01507169 -0.00846717 -0.00269165
-6.61955722 2.09137306 -5.97904248
0.00053726 0.00004866 0.00057798
0.00996874 -0.00265345 -0.01143747
-4.96580132 1.56134651 -8.48502833
-0.00075612 0.00033799 -0.00076297
-0.01329934 0.01069356 0.00975130
-9.94881486 -0.70575747 -3.77364470
-0.00042322 0.00011016 0.00057215
-0.00613576 -0.00099536 0.00740394
-9.71169017 2.13303791 -2.84863232
-0.00045409 -0.00029085 0.00003306
-0.01545160 0.03295128 0.03389920
3.41367645 28.94879509 4.93011282
0.00062628 0.00032133 0.00028392
0.00616213 0.02063740 -0.01385023
3.10387232 27.80689389 7.63718048
-0.00004380 0.00111579 0.00085087
-0.00335777 -0.00027755 -0.02985450
8.06618225 -11.08251189 -1.30505861
-0.00053527 -0.00048352 -0.00111370
-0.04408559 -0.00464333 0.00498236
10.69758241 -11.51193477 0.00543417
-0.00020765 -0.00124256 -0.00022605
-0.00919012 -0.00206813 -0.00008225
-5.40375722 -0.12646880 8.71194388
0.00004716 0.00089071 0.00049820
-0.01128186 0.01766068 0.00970310
-8.31756749 0.00752061 9.04320697
-0.00051269 0.00061767 0.00028908
0.02059948 0.01627173 0.00720768
20.18169728 10.77635059 8.73110143
-0.00116752 -0.00064892 -0.00086999
-0.00840680 -0.00126195 0.00737372
22.09313528 10.74544569 6.68035423
-0.00146419 -0.00011140 0.00009532
-0.02975531 0.00683210 -0.00126218
-2.97097577 -0.15511753 -22.57886054
-0.00032235 -0.00047550 0.00101351
0.00328654 -0.00457508 0.01739936
-4.71862563 1.47651845 -24.02774734
-0.00013601 0.00044754 0.00026575
-0.08962731 0.02457047 -0.00736245
-12.35891537 9.96149235 9.55682931
0.00004897 -0.00052052 -0.00011359
-0.00741684 -0.01292008 -0.00095003
-13.58866341 9.31759421 7.05453720
-0.00073396 -0.00043423 -0.00017329
-0.00570327 0.00440823 -0.01081388
-14.83764061 4.92636211 -4.38318242
-0.00033448 0.00019771 -0.00013401
-0.00224463 -0.01207717 -0.01073844
-13.62046578 7.51839953 -4.35488377
0.00011361 -0.00039270 -0.00091785
-0.00187274 0.03549697 -0.01548164
-4.35658040 -15.83136395 20.47928584
-0.00002099 -0.00062561 0.00048791
0.02490856 0.00365595 0.00418101
-1.88040296 -16.72913327 19.39967991
-0.00063892 0.00031182 -0.00025314
0.00871095 -0.00280086 -0.00678223
-5.55542850 6.15657350 -7.47405663
-0.00086358 -0.00030024 0.00037529
-0.00043332 -0.00026647 -0.00433317
-7.37396597 8.30438883 -6.78253367
0.00024370 -0.00007511 0.00050148
0.00583802 0.00534908 -0.00856015
-20.80989149 29.00482406 1.03323165
0.00073254 0.00012304 0.00030869
-0.01505790 -0.02110182 -0.00594991
-18.02454103 29.57950069 0.23256944
-0.00006603 0.00023134 -0.00041000
-0.00332393 -0.00725210 0.00770424
9.13796039 2.71714366 6.54468454
-0.00062794 -0.00037689 -0.00039726
0.01237355 0.02769742 0.02661921
9.21368660 5.56946971 7.87835738
0.00017380 0.00108589 0.00077973
0.00438420 -0.01306745 0.00334841
7.69511728 17.74635540 -12.32366052
0.00019203 0.00036873 -0.00021355
0.01103066 0.01334594 -0.00774645
8.41728323 14.93342894 -12.33038036
0.00004491 0.00009708 -0.00024080
-0.00987917 0.01294832 0.01131906
12.22637778 5.98208392 -1.19538907
-0.00006982 0.00065668 -0.00017900
-0.03552627 0.03021991 0.00870995
13.60525818 3.71825466 0.29224665
-0.00031452 -0.00015639 -0.00005047
-0.00958329 0.01907536 -0.01400204
-4.58593788 10.45018271 -1.84431762
-0.00082446 -0.00020393 -0.00013677
-0.00464090 0.02739920 -0.01483933
-6.92495428 10.76140684 -0.52158513
0.00061184 0.00052838 0.00002984
-0.02009270 0.00577845 0.01128317
7.49080702 14.38330945 5.05870535
0.00051430 -0.00079845 0.00055544
0.00674895 -0.02816109 0.00063100
9.17450833 12.01383643 4.41414056
-0.00057803 0.00013336 0.00107273
0.03273130 -0.01008756 -0.02236146
20.19854316 -13.02609481 -8.80649671
-0.00052271 0.00010835 -0.00007682
-0.02525102 -0.02956350 0.01465623
23.10333043 -12.63605899 -9.43324804
-0.00166868 -0.00023177 -0.00120907
-0.03216588 0.00650620 0.00220519
19.63828006 -4.97215997 -2.50570777
-0.00052981 -0.00005102 0.00069794
0.00362921 0.00543295 0.00297994
18.29259675 -6.93544881 -1.03007918
0.00077658 -0.00035355 0.00107128
-0.00870221 -0.01705721 0.00797662
13.94208061 9.43791926 9.25622853
-0.00035732 -0.00044377 0.00045841
-0.00665809 0.00375726 -0.00474061
15.44497916 7.58693086 10.75869888
0.00091558 -0.00025389 0.00014782
-0.00121237 0.00503014 -0.02589170
3.03917603 -15.06037950 17.40714900
0.00008796 -0.00132464 0.00003270
0.00274766 -0.00744059 -0.00767936
3.14891090 -12.29248461 17.22450587
0.00022756 0.00048154 -0.00065105
0.01020598 0.00501205 -0.00935761
-2.71053282 -3.76100180 -12.51742936
-0.00035573 -0.00037206 0.00006303
0.00245695 0.00502649 -0.00672870
-0.81815219 -1.95260682 -13.90914895
-0.00074051 -0.00047161 -0.00091691
0.00488019 0.00365034 0.00710873
15.77557234 -7.47328243 -14.96143467
-0.00048811 -0.00040256 0.00036630
0.00815437 -0.00849863 -0.01427105
16.86029353 -8.18920239 -12.33444993
0.00042024 0.00054782 -0.00057018
0.02640278 -0.01358780 0.01347154
8.30798564 -3.31254662 5.83130166
0.00088800 0.00062081 -0.00045084
-0.03440519 0.00613309 -0.02635096
10.89992630 -4.62149061 5.26002593
0.00061837 0.00007947 0.00079451
-0.01505972 0.01506214 0.00780498
-20.81013219 0.26207389 25.18819903
0.00130712 -0.00050078 -0.00088949
0.00169125 0.00074632 -0.00932215
-19.62994155 2.72644859 26.12376547
-0.00051880 0.00017693 0.00024086
0.00414238 0.00187576 -0.00669280
25.08540512 -2.55935504 -7.58922028
-0.00070525 0.00086967 0.00003991
0.01117947 -0.01180867 0.01493829
23.63929047 -0.81335759 -9.12364741
0.00064710 0.00057269 0.00031221
-0.00072646 0.01090226 0.00177856
12.07449749 -10.64278241 -9.62541332
0.00078531 -0.00118150 -0.00023924
0.00939908 0.00538365 0.01435854
12.93333980 -9.20262814 -12.20669678
-0.00014236 0.00082527 -0.00003308
-0.00815475 -0.00837843 0.01780816
-7.50039101 -10.76517636 17.32058162
-0.00034026 0.00010847 -0.00024225
0.04378966 0.00005768 0.01795772
-10.08793666 -10.12128178 17.66813955
0.00036126 0.00090128 -0.00051804
-0.00712450 -0.00710378 -0.01300155
8.18477412 1.21284235 -29.41203919
0.00065285 -0.00043622 -0.00046069
0.00162112 0.01456511 0.01041110
5.42245877 0.85545244 -28.41047548
0.00044767 0.00041297 -0.00008254
0.01495420 0.00640184 0.00559178
13.93448852 19.28871652 13.63694612
-0.00002525 0.00004342 -0.00000030
0.02626497 0.02242088 0.02547739
13.49177504 17.75025654 11.42718441
0.00132591 -0.00029860 -0.00020085
0.00406065 -0.01373398 -0.01868614
27.84994531 7.82092852 -11.54430300
-0.00047809 0.00003315 -0.00023018
-0.01417807 -0.00325361 -0.00561062
26.18045497 7.66776163 -9.24578607
0.00036682 0.00014420 0.00021889
-0.00274064 0.00099728 0.02067576
-7.81348954 4.72885455 6.17786408
0.00009522 0.00000683 0.00012879
-0.00317264 -0.00261397 0.00285658
-10.25294727 9.10590683 3.09573448
0.00030729 -0.00011307 0.00025823
0.00904551 -0.00142409 0.00566609
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.07605210
0.29697144
395.69955816
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0599563953
ExchangeOperator: pair fraction: ispin=0: 0.1497674419
ExchangeOperator: bisection time: 1.604 s
total exchange = -52.4110893797 (a.u.)
total exchange computation time: 2.9918370247 s
-154.2356437499
-931.37453432
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0599563953
ExchangeOperator: pair fraction: ispin=0: 0.1497674419
ExchangeOperator: bisection time: 1.605 s
total exchange = -52.4101683465 (a.u.)
total exchange computation time: 2.9927837849 s
-154.2443147167
Anderson extrapolation: theta=1.3384339532 (1.3384339532)
-931.37480186
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0599563953
ExchangeOperator: pair fraction: ispin=0: 0.1497674419
ExchangeOperator: bisection time: 1.606 s
total exchange = -52.4088257736 (a.u.)
total exchange computation time: 2.9918661118 s
-154.2565246431
Anderson extrapolation: theta=0.0496393190 (0.0496393190)
-931.37495995
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0599563953
ExchangeOperator: pair fraction: ispin=0: 0.1497674419
ExchangeOperator: bisection time: 1.605 s
total exchange = -52.4086727100 (a.u.)
total exchange computation time: 2.9917099476 s
-154.2576734967
Anderson extrapolation: theta=1.8725967535 (1.8725967535)
-931.37496562
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0599563953
ExchangeOperator: pair fraction: ispin=0: 0.1497674419
ExchangeOperator: bisection time: 1.603 s
total exchange = -52.4083592150 (a.u.)
total exchange computation time: 2.9929299355 s
-154.2599606709
Anderson extrapolation: theta=0.2179073407 (0.2179073407)
-931.37497132
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0599563953
ExchangeOperator: pair fraction: ispin=0: 0.1497674419
ExchangeOperator: bisection time: 1.604 s
total exchange = -52.4082823573 (a.u.)
total exchange computation time: 2.9925048351 s
-154.2604719081
Anderson extrapolation: theta=1.9128594853 (1.9128594853)
-931.37497242
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0599563953
ExchangeOperator: pair fraction: ispin=0: 0.1497674419
ExchangeOperator: bisection time: 1.606 s
total exchange = -52.4081561667 (a.u.)
total exchange computation time: 2.9925210476 s
-154.2612628567
Anderson extrapolation: theta=0.2868102701 (0.2868102701)
-931.37497385
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0599563953
ExchangeOperator: pair fraction: ispin=0: 0.1497674419
ExchangeOperator: bisection time: 1.604 s
total exchange = -52.4081422739 (a.u.)
total exchange computation time: 2.9950780869 s
-154.2612994824
Anderson extrapolation: theta=1.3002542285 (1.3002542285)
-931.37497422
21.129365 26.947707 -166.709343
560.626951 1074.482934 -407.357404
581.756316 1101.430641 -574.066747
1371.547483
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0599563953
ExchangeOperator: pair fraction: ispin=0: 0.1497674419
ExchangeOperator: bisection time: 1.604 s
total exchange = -52.4081421288 (a.u.)
total exchange computation time: 2.9910271168 s
679.29445856
-1085.11299770
89.84300000
-388.10886452
-174.88242875
79.00290653
551.60419304
0.00000000
-931.37497455
4.55057498 -31.02949768 -3.48647165
-0.00001524 -0.00030596 -0.00004137
-0.00438157 0.01029324 0.00430730
-11.63926390 2.14569239 -9.25103896
0.00027780 0.00007768 0.00018950
-0.05377722 -0.01577363 -0.01426397
-36.19150020 1.44218137 3.17558426
0.00000761 -0.00007768 0.00027865
0.00260137 -0.06447220 0.02562738
-7.39275678 -3.45960831 2.64271395
0.00022679 0.00004733 0.00007418
-0.00107511 -0.00408034 0.00113893
2.23949816 0.01256727 9.09028800
-0.00001612 -0.00018909 0.00012834
0.02935110 -0.02508313 -0.04998799
-31.08717385 1.55814029 2.56097129
0.00010382 0.00033417 -0.00013010
-0.01013399 0.01811050 0.00547336
16.83400068 13.15801626 -18.34867662
-0.00010512 -0.00014230 -0.00035235
-0.04857935 -0.02869053 -0.01141754
-3.45322315 5.06323399 5.47271265
-0.00004947 -0.00012233 -0.00015761
-0.01138294 0.00834134 0.03493279
5.66818434 17.04416041 -7.05567147
-0.00028398 -0.00013467 -0.00034803
0.01250444 0.00570972 -0.00678110
7.23754066 5.78164145 -20.82117756
0.00009068 0.00018950 0.00023917
0.03028822 0.01495984 -0.03467740
18.61071085 19.56801503 -5.16557098
0.00013287 -0.00001454 -0.00012181
0.01771115 -0.00406589 -0.03922644
1.97356271 14.10047218 -21.24284048
0.00013935 0.00037671 -0.00002026
0.00025261 -0.01137265 0.00740968
10.54373887 -5.27974420 0.42123612
0.00014100 0.00002566 -0.00007506
0.01788885 -0.03372942 0.02058200
-17.77861903 -4.35007800 5.34566643
0.00063889 -0.00042059 0.00001376
-0.00704900 -0.01591290 0.01313648
-14.30270860 -1.33640612 20.70528594
-0.00006631 0.00015169 0.00002926
-0.00436975 0.02518271 -0.01918088
1.60540519 3.72664094 -4.05585743
0.00000587 -0.00011267 -0.00006409
-0.00403645 0.01389997 0.01907734
21.23879903 -10.58531497 -4.46907576
-0.00008833 0.00009050 0.00023065
-0.05759857 -0.02164648 0.03193610
3.07101293 -10.51893552 7.68348526
0.00010957 -0.00026033 -0.00029867
0.03890426 0.00151744 -0.01933848
-1.97504446 -1.77390778 -19.80095458
-0.00017296 -0.00009401 -0.00046196
-0.00936378 -0.01719011 0.01883294
-0.63893548 3.75484108 -10.54705249
-0.00038313 0.00031896 -0.00040259
0.00215592 -0.00508705 0.01677996
-4.94538654 14.73972980 14.40281786
0.00009188 0.00014995 -0.00021579
0.00103291 0.03149929 0.02375842
-5.29401116 2.78118666 -7.12716380
0.00017575 0.00005310 0.00031498
-0.00129474 -0.01250011 -0.00119058
-9.22512591 0.92955004 -4.02123396
0.00021187 0.00019653 -0.00013439
0.02708867 -0.03970342 -0.05069524
2.85741863 27.48658801 5.79019978
-0.00010328 -0.00011449 -0.00014419
-0.00011205 -0.00785757 0.05215266
9.78447268 -10.83865232 -1.46259214
-0.00033476 0.00007091 0.00004002
0.04595508 0.01659341 -0.01201656
-6.76986966 1.05293882 9.28037638
0.00003216 -0.00014896 -0.00010756
-0.01200236 -0.02896800 -0.01395599
20.17726657 10.76829502 6.90692841
0.00013171 -0.00014656 0.00006750
0.03664601 -0.00815164 -0.01030359
-3.09241600 1.04230654 -23.94224789
0.00010607 -0.00004039 -0.00031497
0.08167750 -0.02023760 -0.00128043
-13.53174748 8.68956364 8.74585649
0.00026553 -0.00020286 0.00025490
-0.00172350 -0.00261656 0.01036589
-13.64685917 5.97264028 -3.52203498
-0.00017034 -0.00021864 -0.00024600
0.00802631 -0.02216639 0.02426821
-2.51514868 -15.46739824 20.53217604
-0.00038786 -0.00012614 0.00001894
-0.03996172 0.00083083 0.00913649
-5.94131634 7.92323595 -7.88256108
0.00019532 0.00044464 0.00006983
-0.00300335 -0.01535624 0.00638282
-19.58152447 30.27081208 0.88028672
0.00017188 -0.00019767 -0.00010079
0.01395351 0.03768011 0.00298946
9.87152314 3.80724585 7.94186289
0.00013181 -0.00013341 -0.00004603
-0.01257472 -0.01519509 -0.02816610
7.26849382 16.18569009 -11.56347844
-0.00002022 0.00016903 0.00012859
0.00109282 -0.02977684 -0.00676360
13.50613577 4.80667167 -1.26892221
-0.00016317 -0.00051377 -0.00001876
0.04547666 -0.03642257 0.00851879
-6.02508749 11.68410949 -1.78499391
0.00025911 0.00012927 0.00058563
0.03444658 -0.02711645 -0.00088992
7.71165045 12.52237424 5.26852880
-0.00019236 0.00002562 -0.00006963
-0.04456403 0.04273116 0.02039922
21.37433052 -11.87891672 -9.42355566
-0.00043938 0.00019752 0.00023014
0.04165530 0.02696917 -0.02497585
19.70423759 -5.81719338 -0.85999768
-0.00026045 0.00023036 0.00029306
0.00987475 0.01215888 -0.00915592
15.04013055 8.02255027 8.94848715
0.00047371 -0.00000840 0.00039007
0.00979504 -0.00978676 0.03537545
3.82942927 -13.76625472 16.35842113
-0.00006892 0.00006483 -0.00004143
-0.01180725 -0.00952391 0.01255153
-2.58327131 -2.25633974 -13.55974598
0.00011186 0.00025258 0.00018192
-0.01757206 -0.01295186 0.00382827
15.50416683 -7.42684213 -13.17164359
-0.00008354 -0.00006153 -0.00004156
-0.03755686 0.02040406 0.00255198
9.82780324 -3.81606528 6.54136407
0.00015678 -0.00019960 -0.00040171
0.05098604 -0.01754311 0.01916085
-19.42181163 1.41023736 24.82960259
-0.00021307 -0.00014401 0.00000136
-0.00265320 -0.00077271 0.01161016
24.07038364 -1.05293798 -7.35471503
-0.00025379 0.00012550 -0.00002776
-0.00745567 0.00634519 -0.01424753
11.64774809 -10.32324338 -11.35810594
0.00007318 0.00039203 -0.00005536
0.00547255 0.01417455 -0.02197388
-8.94902969 -10.66160681 16.30550867
-0.00030735 0.00019758 -0.00033330
-0.04719629 0.00799646 -0.01006869
7.07618034 1.58562937 -27.93269714
0.00017204 -0.00009399 -0.00003021
-0.01700020 -0.01996949 -0.01750627
12.60735883 18.52882762 12.76961874
-0.00017279 -0.00030609 -0.00022154
-0.02177310 -0.01197442 -0.00923776
26.04605551 7.54935665 -11.05936195
0.00019239 -0.00001143 0.00005875
0.02081949 -0.00008696 -0.00989066
5.05195680 -29.85873334 -4.84125981
-0.00035996 0.00025905 0.00040513
-0.00240117 -0.00019881 0.00507058
3.87181733 -29.98585794 -2.09984111
-0.00039708 -0.00026287 0.00031838
0.00892865 -0.01385305 -0.00900705
-10.04313415 2.52328606 -8.70259251
-0.00011343 0.00064192 0.00007636
0.04969760 0.01140193 0.01560899
-11.80165527 2.56826256 -11.02216168
0.00009968 0.00020908 0.00023679
0.00113640 0.00483215 -0.00571092
-36.67344900 3.13422767 3.01997817
-0.00005502 0.00055678 -0.00014838
-0.01473705 0.04821395 -0.01702475
-37.71647752 0.54504087 3.72846117
0.00015118 0.00110284 -0.00108218
0.00731255 0.00813509 -0.00896316
-8.82396616 -3.92774533 1.55032803
-0.00099706 0.00033950 0.00041655
0.00471041 -0.00441756 0.00409459
-6.44576455 -5.01389553 2.87704219
-0.00039264 -0.00027519 0.00015005
-0.00420359 0.00152736 -0.00241333
2.98646387 -0.08212633 7.31330260
0.00021834 0.00000946 0.00028805
-0.01509314 -0.00052286 0.04342743
1.58181351 1.66936462 9.22126061
-0.00043351 -0.00068336 -0.00019034
-0.01451155 0.01866012 0.00437058
-29.99478782 0.17414038 2.90048557
-0.00079613 0.00011865 0.00044887
0.00946851 -0.02111969 -0.00006302
-32.81730274 0.94773830 2.78966841
-0.00078145 -0.00045649 0.00023569
0.00301570 0.00334774 -0.00054543
15.70982354 11.55346284 -18.51340827
0.00044609 0.00025178 -0.00007864
0.02805674 0.04541635 0.00630510
18.35231543 12.54455975 -17.58897109
-0.00078992 0.00063960 -0.00090309
0.01418611 -0.00986701 0.01229580
-2.87664452 6.67464810 6.14697907
0.00014407 -0.00009463 0.00010976
-0.00409766 -0.00098640 0.00502254
-2.78342452 5.09426304 3.86012781
0.00060091 -0.00045470 -0.00019824
0.01657161 -0.00448171 -0.04372074
6.30358715 16.41471054 -8.76390860
0.00082028 0.00014131 0.00117101
-0.00271471 0.01052942 0.01745780
7.03837978 18.10678251 -6.39145055
0.00041096 0.00003595 0.00147175
-0.01169381 -0.01219297 -0.00691841
7.84216210 5.47797325 -22.61132600
-0.00017004 0.00052294 -0.00093342
-0.02265945 -0.00808732 0.00702219
8.61299542 7.01961543 -20.66530280
-0.00032324 0.00057464 0.00091997
-0.00696639 0.00428944 0.02678771
19.19748346 21.12209368 -4.40474086
-0.00111571 -0.00078131 -0.00037282
-0.00574183 0.00991334 0.02183205
19.51902186 19.77153103 -6.79176805
0.00021138 -0.00009089 0.00010983
-0.01026291 -0.01313307 0.01732953
1.32473206 12.38233059 -21.00701308
-0.00039355 -0.00004622 -0.00125644
0.01234281 0.00780034 -0.00036818
0.70110276 14.84952682 -22.29968562
-0.00049839 -0.00005851 -0.00013344
-0.01511100 0.00817863 0.00050603
9.87611517 -6.98049784 0.19689521
-0.00041115 0.00026495 0.00105615
0.00761339 0.00320954 -0.00460842
9.39988050 -4.19593762 -0.38177343
-0.00006343 -0.00048481 0.00139421
-0.02500384 0.02941914 -0.01980432
-18.26707909 -5.59357452 6.63045992
-0.00014377 -0.00091393 -0.00011330
0.00747122 0.01103341 0.00067832
-18.77076338 -5.00063876 3.96666842
-0.00022904 0.00024566 -0.00020688
-0.00093182 0.00188533 -0.01377568
-14.47279006 -0.08075682 19.27493289
-0.00027072 -0.00084432 0.00059427
0.00162357 -0.02259306 0.00876677
-14.54046197 -0.21667011 22.13567525
-0.00061028 0.00031475 0.00007433
0.00205053 -0.00457758 0.00600619
1.02578979 2.65038527 -2.67423356
-0.00015810 -0.00020990 -0.00074533
0.00466240 0.00153205 -0.01240750
1.91307265 2.72105054 -5.50835084
-0.00046796 0.00088617 -0.00117282
-0.00060772 -0.01764438 -0.00518073
21.27216086 -10.42156309 -6.21457869
-0.00026544 0.00077606 -0.00008734
0.00923573 0.00645858 -0.04229326
22.67545721 -10.04431553 -3.67649080
-0.00005674 -0.00024760 -0.00156657
0.04905849 0.02161171 0.01436410
4.77555258 -10.36822128 6.74234102
-0.00019145 0.00005153 -0.00040804
-0.03943628 -0.00779234 0.02298181
3.39706110 -11.59259594 9.15250910
-0.00009778 0.00069743 0.00016051
-0.00006791 0.00565646 -0.00778800
-2.01813843 -3.41606237 -20.70153901
0.00028660 0.00013078 0.00057936
-0.00186776 0.00681698 0.00257962
-3.07275331 -2.07898724 -18.31291143
0.00072526 -0.00017606 0.00078020
0.01402439 0.00681201 -0.01947397
0.90801773 4.77918940 -10.54213716
0.00024952 -0.00043489 -0.00055465
-0.01408282 -0.00553552 0.01188156
-1.12117440 3.21772783 -8.80345353
0.00081882 -0.00020693 0.00161022
0.01411838 0.01716482 -0.02618054
-4.05699086 15.81263296 15.69607437
-0.00051613 0.00070545 0.00050697
-0.01612411 -0.02223381 -0.02450827
-6.73085785 15.16850691 14.71462876
-0.00015671 0.00018371 -0.00078681
0.01614453 -0.00882857 -0.00288150
-6.61119278 2.09202161 -5.97072322
0.00057664 0.00003712 0.00053171
0.00930505 -0.00299551 -0.01121316
-4.97755063 1.56674403 -8.49617402
-0.00081108 0.00038539 -0.00071866
-0.01360315 0.01251138 0.01193593
-9.95535122 -0.70413559 -3.76483561
-0.00044454 0.00011184 0.00059996
-0.00429788 0.00181643 0.00620978
-9.71897501 2.12968492 -2.84709757
-0.00051645 -0.00015589 0.00017032
-0.01507366 0.03311088 0.03328619
3.42325941 28.95424739 4.93394721
0.00064897 0.00039915 0.00022946
0.00494893 0.01745914 -0.01280910
3.10311238 27.82362218 7.64902865
-0.00005977 0.00111013 0.00071666
-0.00445857 -0.00248928 -0.03584311
8.05680229 -11.08990699 -1.32161148
-0.00070995 -0.00050248 -0.00109384
-0.04141986 -0.00463499 0.00473909
10.69418597 -11.53063658 0.00204096
-0.00024819 -0.00124908 -0.00022935
-0.01065190 -0.00112367 -0.00153710
-5.40339556 -0.11256693 8.71971422
0.00000626 0.00095499 0.00053409
-0.00873587 0.01380396 0.00786430
-8.32462666 0.01728434 9.04776400
-0.00042714 0.00068217 0.00031766
0.02127711 0.01529761 0.00678262
20.16392694 10.76657812 8.71827748
-0.00120135 -0.00065412 -0.00082589
-0.00815697 -0.00128574 0.01421625
22.07026061 10.74398411 6.68174528
-0.00156925 -0.00008391 0.00008859
-0.02167339 0.00662399 -0.00203131
-2.97571033 -0.16239017 -22.56312468
-0.00030984 -0.00048164 0.00107019
0.00283735 0.00156644 0.01034556
-4.72341226 1.48398449 -24.02398666
-0.00048998 0.00054542 0.00023712
-0.08364285 0.02334055 -0.00665560
-12.35840804 9.95328859 9.55509629
0.00002206 -0.00056896 -0.00011607
-0.00575548 -0.01078881 -0.00026162
-13.59984757 9.31121587 7.05160653
-0.00075631 -0.00041770 -0.00021085
-0.00523565 0.00368058 -0.00757573
-14.84272652 4.92895764 -4.38552161
-0.00034534 0.00014587 -0.00017887
-0.00307474 -0.01329535 -0.01122070
-13.61881908 7.51359669 -4.36912593
0.00010644 -0.00025151 -0.00097858
-0.00163425 0.03361987 -0.01424562
-4.35613194 -15.84063612 20.48673267
0.00007653 -0.00061085 0.00050514
0.02282834 0.00357238 0.00424940
-1.88971976 -16.72454178 19.39567492
-0.00060146 0.00029808 -0.00028288
0.00962255 -0.00392479 -0.00777261
-5.56839547 6.15206175 -7.46856011
-0.00086468 -0.00029487 0.00035478
-0.00010765 0.00289493 -0.00570612
-7.37013154 8.30342609 -6.77527374
0.00026818 -0.00005181 0.00046510
0.00614231 0.00605596 -0.00925012
-20.79936475 29.00602302 1.03767966
0.00066398 0.00002919 0.00028543
-0.01850546 -0.02483600 -0.00543615
-18.02563338 29.58274854 0.22665554
-0.00007655 0.00020024 -0.00037976
-0.00182621 -0.00796942 0.00709885
9.12892046 2.71233907 6.53954137
-0.00057478 -0.00025937 -0.00028397
0.01364622 0.02982765 0.02883630
9.21642795 5.58535756 7.89015598
0.00019550 0.00102080 0.00079300
0.00623947 -0.01879177 0.00314770
7.69833572 17.75229525 -12.32710113
0.00023516 0.00041710 -0.00024213
0.01008327 0.01033258 -0.00624436
8.41765412 14.93528190 -12.33364544
0.00000274 0.00015187 -0.00019311
-0.01076452 0.01387126 0.01202082
12.22424185 5.99286022 -1.19780721
-0.00020194 0.00076888 -0.00014367
-0.02914605 0.02469877 0.00858436
13.60024673 3.71649329 0.29106050
-0.00035354 -0.00007997 -0.00010504
-0.00951936 0.01833249 -0.01270748
-4.59844701 10.44796332 -1.84682384
-0.00083668 -0.00009630 -0.00019779
-0.00134139 0.02528768 -0.01503379
-6.91639237 10.76950968 -0.52079176
0.00052274 0.00054643 0.00008512
-0.02352120 0.00305361 0.01577705
7.49872839 14.37046977 5.06705627
0.00053960 -0.00090043 0.00055675
0.00563555 -0.02176079 0.00000944
9.16684082 12.01552777 4.42954630
-0.00043092 0.00008720 0.00097409
0.03928110 -0.01251056 -0.02592273
20.18992879 -13.02537548 -8.80719986
-0.00062533 -0.00001100 -0.00001774
-0.02498517 -0.02886009 0.01426469
23.07731458 -12.63933619 -9.45131656
-0.00178740 -0.00020985 -0.00119962
-0.02595057 0.00422603 0.00242396
19.63044405 -4.97275884 -2.49514739
-0.00051572 -0.00002637 0.00070442
0.00326919 0.00663678 0.00019169
18.30397879 -6.94127474 -1.01376560
0.00073491 -0.00042778 0.00110247
-0.01169674 -0.01927714 0.00729358
13.93651673 9.43137782 9.26295945
-0.00038261 -0.00043044 0.00043926
-0.00571828 0.00276637 -0.00463477
15.45867565 7.58327665 10.76012284
0.00091007 -0.00023266 0.00004324
-0.00148121 0.00536235 -0.02530109
3.04057967 -15.08047706 17.40740413
0.00010372 -0.00134214 -0.00000498
0.00496688 -0.00112561 -0.01076535
3.15263707 -12.28510799 17.21445342
0.00026797 0.00049989 -0.00068725
0.00957652 0.00397141 -0.00836330
-2.71579349 -3.76642861 -12.51669009
-0.00034423 -0.00034536 0.00003135
0.00317501 0.00804122 -0.00877934
-0.82911034 -1.95956918 -13.92268481
-0.00070952 -0.00045587 -0.00088934
0.01029026 0.00405686 0.00639023
15.76850049 -7.47958118 -14.95637746
-0.00045439 -0.00043671 0.00030103
0.00835332 -0.00822213 -0.01767994
16.86740614 -8.18140147 -12.34258986
0.00052884 0.00049176 -0.00051390
0.02676116 -0.01385206 0.01407814
8.32025134 -3.30304658 5.82373157
0.00074311 0.00064769 -0.00056175
-0.03651785 0.00702439 -0.02793934
10.90874043 -4.61983701 5.27218269
0.00056157 0.00013717 0.00081893
-0.01274765 0.01317997 0.00414895
-20.79047355 0.25458509 25.17457108
0.00130139 -0.00050691 -0.00092343
-0.00449475 -0.00374913 -0.00729600
-19.63759661 2.72915998 26.12717327
-0.00050198 0.00017966 0.00020984
0.00409016 -0.00053913 -0.00849124
25.07516899 -2.54667187 -7.58816389
-0.00065241 0.00081052 0.00009981
0.01468230 -0.01714248 0.01438568
23.64897465 -0.80443321 -9.11890971
0.00064177 0.00061839 0.00031240
-0.00188124 0.01147104 -0.00168880
12.08656523 -10.66033998 -9.62856189
0.00082281 -0.00115778 -0.00018524
0.00895600 0.00623124 0.01207129
12.93095447 -9.19050586 -12.20664731
-0.00017560 0.00078949 0.00004071
-0.00811615 -0.00913529 0.01831382
-7.50415310 -10.76354754 17.31749820
-0.00016268 0.00010851 -0.00017061
0.04313601 -0.00003638 0.01711044
-10.08273612 -10.10798030 17.65997052
0.00032817 0.00087364 -0.00056788
-0.00907389 -0.00642381 -0.01139563
8.19461661 1.20674544 -29.41863052
0.00065476 -0.00037476 -0.00041196
-0.00069061 0.01551716 0.01344309
5.42963208 0.86184324 -28.41154220
0.00050349 0.00043662 -0.00006110
0.01236831 0.00517038 0.00490227
13.93491456 19.29005494 13.63772228
0.00007483 0.00013191 0.00010037
0.02272824 0.02089484 0.02380148
13.51178818 17.74535664 11.42359900
0.00133546 -0.00034932 -0.00026776
0.00061348 -0.01109281 -0.01406655
27.84233958 7.82132613 -11.54792759
-0.00052951 0.00002073 -0.00025411
-0.01099400 -0.00283043 -0.00610623
26.18587335 7.66995515 -9.24186909
0.00035508 0.00014842 0.00030042
-0.00301008 0.00106755 0.01923028
-7.81206980 4.72895004 6.17980358
0.00009407 0.00000590 0.00012979
-0.00326145 -0.00259050 0.00273026
-10.24832217 9.10420830 3.09961778
0.00030937 -0.00011339 0.00025952
0.00888367 -0.00135264 0.00547923
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.07609721
0.29887734
398.23907506
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0596656977
ExchangeOperator: pair fraction: ispin=0: 0.1490319091
ExchangeOperator: bisection time: 1.695 s
total exchange = -52.4123712233 (a.u.)
total exchange computation time: 2.9969758987 s
-154.2385367288
-931.37713783
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0596656977
ExchangeOperator: pair fraction: ispin=0: 0.1490319091
ExchangeOperator: bisection time: 1.693 s
total exchange = -52.4114202278 (a.u.)
total exchange computation time: 2.9921000004 s
-154.2473483828
Anderson extrapolation: theta=1.3401181017 (1.3401181017)
-931.37740307
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0596656977
ExchangeOperator: pair fraction: ispin=0: 0.1490319091
ExchangeOperator: bisection time: 1.694 s
total exchange = -52.4100350636 (a.u.)
total exchange computation time: 2.9925701618 s
-154.2597703571
Anderson extrapolation: theta=0.0498955575 (0.0498955575)
-931.37755989
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0596656977
ExchangeOperator: pair fraction: ispin=0: 0.1490319091
ExchangeOperator: bisection time: 1.696 s
total exchange = -52.4098790191 (a.u.)
total exchange computation time: 2.9944338799 s
-154.2609382479
Anderson extrapolation: theta=1.8843086248 (1.8843086248)
-931.37756554
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0596656977
ExchangeOperator: pair fraction: ispin=0: 0.1490319091
ExchangeOperator: bisection time: 1.695 s
total exchange = -52.4095584140 (a.u.)
total exchange computation time: 2.9926910400 s
-154.2632727075
Anderson extrapolation: theta=0.2192800584 (0.2192800584)
-931.37757128
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0596656977
ExchangeOperator: pair fraction: ispin=0: 0.1490319091
ExchangeOperator: bisection time: 1.694 s
total exchange = -52.4094800548 (a.u.)
total exchange computation time: 2.9926788807 s
-154.2637931153
Anderson extrapolation: theta=1.9130783852 (1.9130783852)
-931.37757239
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0596656977
ExchangeOperator: pair fraction: ispin=0: 0.1490319091
ExchangeOperator: bisection time: 1.696 s
total exchange = -52.4093516724 (a.u.)
total exchange computation time: 2.9927258492 s
-154.2645946292
Anderson extrapolation: theta=0.2874172407 (0.2874172407)
-931.37757386
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0596656977
ExchangeOperator: pair fraction: ispin=0: 0.1490319091
ExchangeOperator: bisection time: 1.693 s
total exchange = -52.4093376950 (a.u.)
total exchange computation time: 2.9915859699 s
-154.2646284413
Anderson extrapolation: theta=1.3003681802 (1.3003681802)
-931.37757425
21.086823 26.968507 -166.641473
560.546076 1074.509404 -407.390829
581.632899 1101.477910 -574.032301
1371.518683
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0596656977
ExchangeOperator: pair fraction: ispin=0: 0.1490319091
ExchangeOperator: bisection time: 1.695 s
total exchange = -52.4093378431 (a.u.)
total exchange computation time: 2.9927749634 s
679.30578653
-1085.14465182
89.84393170
-388.08843435
-174.88486882
79.02015428
551.60419304
0.00000000
-931.37757460
4.55032952 -31.03404741 -3.48707560
-0.00001778 -0.00030026 -0.00003862
-0.00551522 0.01188202 0.00640608
-11.63530437 2.14679669 -9.24825147
0.00024982 0.00006940 0.00018198
-0.05503747 -0.01640998 -0.01499650
-36.19137606 1.44076750 3.17986282
0.00000993 -0.00010806 0.00029108
0.00641554 -0.05366912 0.02271106
-7.38935907 -3.45891407 2.64383107
0.00022526 0.00004512 0.00007418
-0.00488057 -0.00453671 -0.00114929
2.23936963 0.00963414 9.09202034
-0.00000083 -0.00020245 0.00010280
0.03008192 -0.02686355 -0.04933098
-31.08565571 1.56322269 2.55904092
0.00009638 0.00034289 -0.00012700
-0.01877530 0.01579301 0.00656480
16.83223646 13.15577107 -18.35400598
-0.00013132 -0.00015571 -0.00035895
-0.05330145 -0.02345429 -0.01421212
-3.45400904 5.06143120 5.47048327
-0.00005489 -0.00011777 -0.00014040
-0.00970510 0.00939720 0.03199788
5.66397294 17.04216243 -7.06091811
-0.00027632 -0.00013008 -0.00034925
0.01728121 0.01212128 0.00204620
7.23901771 5.78454161 -20.81772379
0.00010641 0.00019694 0.00022034
0.03087074 0.01399808 -0.03855469
18.61277218 19.56778130 -5.16754949
0.00014109 -0.00001858 -0.00014263
0.01426088 -0.01165905 -0.04173039
1.97565391 14.10607894 -21.24311584
0.00013848 0.00037038 -0.00001694
-0.00362051 -0.01322759 0.00549772
10.54592287 -5.27948939 0.42018959
0.00015140 0.00000757 -0.00006376
0.02255690 -0.03663037 0.02337667
-17.76906293 -4.35644824 5.34592344
0.00063448 -0.00042953 0.00002032
-0.01009018 -0.01884491 0.01239412
-14.30372006 -1.33403366 20.70565083
-0.00006851 0.00016385 0.00002092
-0.00418772 0.02212750 -0.01325864
1.60547772 3.72500451 -4.05674522
0.00000425 -0.00010526 -0.00005547
-0.00228614 0.01492189 0.01444410
21.23725191 -10.58404099 -4.46549284
-0.00011956 0.00007893 0.00024485
-0.06384726 -0.02334021 0.02328369
3.07280659 -10.52283457 7.67893058
0.00012912 -0.00025924 -0.00030882
0.03712396 0.00271237 -0.02011720
-1.97767501 -1.77538421 -19.80781129
-0.00017800 -0.00010195 -0.00045102
-0.01024051 -0.01368560 0.02368599
-0.64467413 3.75960583 -10.55302666
-0.00038237 0.00031573 -0.00039143
0.00080111 -0.00747782 0.02663630
-4.94400439 14.74210054 14.39967260
0.00009245 0.00016661 -0.00020308
0.00120736 0.03328070 0.02567466
-5.29137984 2.78193500 -7.12244373
0.00017534 0.00004647 0.00031373
-0.00033335 -0.01329453 -0.00365552
-9.22184335 0.93234480 -4.02344531
0.00022503 0.00017569 -0.00015961
0.02409907 -0.04132124 -0.04740365
2.85586895 27.48484030 5.78823816
-0.00010274 -0.00011702 -0.00011651
0.00221171 -0.00195656 0.05546439
9.77962857 -10.83752471 -1.46203815
-0.00031195 0.00007913 0.00003437
0.04275102 0.01538185 -0.00998290
-6.76943354 1.05059272 9.27870908
0.00002515 -0.00016239 -0.00011407
-0.01525217 -0.02328418 -0.01134425
20.17938352 10.76606518 6.90790117
0.00014796 -0.00015068 0.00006076
0.02654630 -0.00787911 -0.01591491
-3.09050994 1.04162269 -23.94697743
0.00014548 -0.00005160 -0.00031410
0.07160211 -0.02336070 0.00468587
-13.52777125 8.68651059 8.74971993
0.00026405 -0.00020458 0.00025903
-0.00400005 -0.00405473 0.00569026
-13.64938325 5.96927517 -3.52563137
-0.00016614 -0.00022897 -0.00023387
0.00828548 -0.01802102 0.02289492
-2.52112069 -15.46928718 20.53249536
-0.00040787 -0.00012543 0.00002382
-0.03784958 0.00192367 0.00985758
-5.93839817 7.92984633 -7.88148894
0.00019369 0.00043570 0.00007360
-0.00330570 -0.01942071 0.00824497
-19.57889246 30.26799244 0.87878646
0.00017928 -0.00017736 -0.00009920
0.01482789 0.04128011 0.00318186
9.87345178 3.80518613 7.94106373
0.00012475 -0.00014027 -0.00006076
-0.01486250 -0.01148075 -0.02908193
7.26819473 16.18811071 -11.56157563
-0.00001920 0.00015447 0.00012449
0.00286566 -0.02686265 -0.00920333
13.50386360 4.79882466 -1.26917069
-0.00014171 -0.00053037 -0.00001476
0.03800209 -0.02815647 0.00701072
-6.02106803 11.68594393 -1.77621296
0.00027662 0.00011660 0.00058408
0.03365162 -0.02213325 -0.00512819
7.70859313 12.52292330 5.26756299
-0.00021619 0.00004613 -0.00005836
-0.04809668 0.03705839 0.02343070
21.36790056 -11.87584992 -9.42019989
-0.00042014 0.00021158 0.00021754
0.03314852 0.02770260 -0.02401670
19.70036897 -5.81369108 -0.85563717
-0.00025466 0.00023666 0.00028921
0.01264970 0.01235903 -0.00581737
15.04727401 8.02238645 8.95447458
0.00047848 -0.00001313 0.00040788
0.00873057 -0.00858236 0.03391244
3.82835000 -13.76531899 16.35784803
-0.00007528 0.00005857 -0.00003454
-0.01296217 -0.01482137 0.01424210
-2.58166119 -2.25260101 -13.55700236
0.00010135 0.00024513 0.00018455
-0.02330928 -0.01601834 0.00640242
15.50276888 -7.42768639 -13.17225721
-0.00010263 -0.00005114 -0.00003953
-0.03668945 0.02000880 0.00537067
9.83035168 -3.81912701 6.53541227
0.00018234 -0.00020814 -0.00039063
0.04838905 -0.01566581 0.02395264
-19.42501787 1.40807424 24.82966779
-0.00021272 -0.00014256 0.00000725
0.00398819 0.00642771 0.01128079
24.06654801 -1.05103097 -7.35518632
-0.00025824 0.00012990 -0.00003412
-0.00985615 0.01076295 -0.01050459
11.64886684 -10.31730826 -11.35902114
0.00007606 0.00039905 -0.00006596
0.00574616 0.01311123 -0.01924681
-8.95382203 -10.65861228 16.30047026
-0.00033045 0.00020148 -0.00033839
-0.04262427 0.00718173 -0.00971493
7.07869542 1.58414253 -27.93321788
0.00016460 -0.00010408 -0.00003970
-0.01195476 -0.01926760 -0.01938962
12.60468298 18.52419005 12.76626006
-0.00018186 -0.00031238 -0.00022688
-0.01348547 -0.01246868 -0.01155239
26.04902171 7.54918481 -11.05851880
0.00020215 -0.00001159 0.00005439
0.01711101 -0.00050512 -0.00708229
5.04648383 -29.85485367 -4.83502743
-0.00036918 0.00025805 0.00042424
-0.00211130 -0.00028972 0.00428337
3.86613476 -29.99022544 -2.09534137
-0.00035908 -0.00032273 0.00027859
0.00966974 -0.01544837 -0.01046971
-10.04331272 2.53326421 -8.70096883
0.00009250 0.00068968 0.00014164
0.05110744 0.01197715 0.01634440
-11.80012523 2.57154676 -11.01878480
0.00010392 0.00022870 0.00021312
0.00093672 0.00477527 -0.00587476
-36.67472582 3.14405681 3.01723081
-0.00010984 0.00074160 -0.00021778
-0.01209777 0.04225733 -0.01694564
-37.71398574 0.56183281 3.71195385
0.00016766 0.00112661 -0.00111314
0.00075442 0.00349687 -0.00619490
-8.83877773 -3.92278819 1.55670175
-0.00097045 0.00032276 0.00043809
0.00831758 -0.00377695 0.00645091
-6.45178304 -5.01797652 2.87921907
-0.00040968 -0.00026941 0.00013990
-0.00413500 0.00129919 -0.00255619
2.98927651 -0.08200045 7.31895410
0.00015741 0.00000685 0.00046384
-0.01473369 -0.00075530 0.04262147
1.57486619 1.65968603 9.21853938
-0.00049470 -0.00060253 -0.00017211
-0.01544121 0.02090587 0.00455436
-30.00643959 0.17527297 2.90721673
-0.00075332 0.00002992 0.00044921
0.01148780 -0.02231556 0.00022885
-32.82893204 0.94099349 2.79318712
-0.00075572 -0.00043592 0.00023117
0.00957922 0.00672479 -0.00166949
15.71737465 11.55863131 -18.51439469
0.00055617 0.00043157 -0.00005387
0.02582997 0.04258817 0.00582100
18.34090134 12.55385144 -17.60214062
-0.00071745 0.00059404 -0.00084624
0.02128958 -0.01243806 0.01553126
-2.87460905 6.67319846 6.14877933
0.00012662 -0.00010110 0.00012847
-0.00444359 -0.00218075 0.00413810
-2.77390301 5.08730525 3.85581451
0.00066593 -0.00047284 -0.00036907
0.01525340 -0.00439865 -0.03990172
6.31580810 16.41715290 -8.74580844
0.00081151 0.00018080 0.00123231
-0.00157636 0.00880097 0.01254518
7.04418584 18.10694817 -6.36958624
0.00035059 -0.00002313 0.00143668
-0.01785822 -0.01672737 -0.01024962
7.83891712 5.48556958 -22.62511212
-0.00026336 0.00049302 -0.00089496
-0.02302051 -0.00655926 0.01180404
8.60793335 7.02836654 -20.65068245
-0.00035154 0.00059043 0.00102728
-0.00688889 0.00343547 0.02574443
19.18057187 21.11067779 -4.40966417
-0.00113358 -0.00072596 -0.00027639
-0.00300581 0.01718101 0.02537146
19.52187812 19.76976525 -6.78958952
0.00017100 -0.00014388 0.00017837
-0.00950448 -0.01280549 0.01622144
1.31920697 12.38187629 -21.02587093
-0.00033972 -0.00001030 -0.00125695
0.01401084 0.00978323 0.00011802
0.69316393 14.84889981 -22.30167168
-0.00055570 -0.00002515 -0.00012868
-0.01294719 0.00815227 0.00182275
9.87018118 -6.97642525 0.21259624
-0.00038043 0.00027526 0.00103706
0.00742415 0.00183875 -0.00473757
9.39816280 -4.20230824 -0.36146709
-0.00017470 -0.00035599 0.00130751
-0.02946209 0.03364019 -0.02263970
-18.26900667 -5.60694533 6.62878124
-0.00011117 -0.00086495 -0.00011435
0.00848394 0.01294342 -0.00119280
-18.77422754 -4.99689615 3.96314313
-0.00022886 0.00025565 -0.00025795
0.00102110 0.00300505 -0.01122466
-14.47680106 -0.09411393 19.28411563
-0.00026493 -0.00092829 0.00062115
0.00120849 -0.01850898 0.00439062
-14.54955337 -0.21208910 22.13697429
-0.00060126 0.00029407 0.00009613
0.00236716 -0.00554694 0.00466523
1.02356120 2.64728372 -2.68579375
-0.00014129 -0.00020785 -0.00079181
0.00356638 -0.00052678 -0.01034360
1.90603460 2.73380240 -5.52610184
-0.00047148 0.00081638 -0.00118884
-0.00111472 -0.01651785 -0.00266265
21.26846223 -10.40972428 -6.21718484
-0.00023010 0.00080065 -0.00025122
0.00806597 0.00557633 -0.03792286
22.67610936 -10.04736727 -3.69954925
0.00015871 -0.00015406 -0.00149899
0.05640788 0.02417443 0.01871811
4.77147231 -10.36768704 6.73692470
-0.00035020 0.00001935 -0.00031426
-0.03826896 -0.00796345 0.02292470
3.39559229 -11.58196121 9.15467813
-0.00009668 0.00071878 0.00013066
0.00060960 0.00479692 -0.00682472
-2.01389664 -3.41389185 -20.69276955
0.00027849 0.00015072 0.00058517
-0.00210170 0.00294726 0.00026449
-3.06144470 -2.08141947 -18.30180523
0.00078480 -0.00014710 0.00069560
0.01512336 0.00736558 -0.02193545
0.91132905 4.77249646 -10.55009280
0.00019172 -0.00045751 -0.00050708
-0.01421350 -0.00553785 0.01140592
-1.10845941 3.21514990 -8.78010252
0.00087915 -0.00013205 0.00148428
0.01541097 0.01948779 -0.03546694
-4.06522695 15.82253339 15.70292794
-0.00058360 0.00061168 0.00040315
-0.01690109 -0.02366708 -0.02631391
-6.73271374 15.17099205 14.70273824
-0.00008956 0.00014714 -0.00079882
0.01672266 -0.00907243 -0.00299448
-6.60225807 2.09248658 -5.96309117
0.00061288 0.00002403 0.00048682
0.00843393 -0.00341211 -0.01076235
-4.99013364 1.57290834 -8.50658820
-0.00086689 0.00043949 -0.00066616
-0.01371824 0.01396928 0.01376181
-9.96215098 -0.70240238 -3.75564595
-0.00045834 0.00012470 0.00062281
-0.00245982 0.00448064 0.00497494
-9.72718366 2.12836118 -2.84352284
-0.00057576 -0.00002339 0.00030179
-0.01395931 0.03174942 0.03107210
3.43314566 28.96076969 4.93699659
0.00066604 0.00046250 0.00018002
0.00340480 0.01354736 -0.01139022
3.10207919 27.84019791 7.65868013
-0.00007988 0.00109575 0.00056066
-0.00538250 -0.00455296 -0.04051912
8.04488386 -11.09758614 -1.33787390
-0.00086965 -0.00052069 -0.00107524
-0.03675726 -0.00428247 0.00436774
10.69013672 -11.54940726 -0.00144645
-0.00029447 -0.00125174 -0.00023839
-0.01200095 -0.00017879 -0.00288670
-5.40356929 -0.09781908 8.72796653
-0.00002309 0.00100265 0.00056208
-0.00563378 0.00952383 0.00583540
-8.33038183 0.02798561 9.05273671
-0.00034008 0.00074183 0.00034432
0.02134019 0.01390923 0.00626976
20.14565668 10.75672685 8.70632480
-0.00123435 -0.00065954 -0.00075454
-0.00799674 -0.00136532 0.02070686
22.04605766 10.74292848 6.68301185
-0.00163829 -0.00005732 0.00007846
-0.01211825 0.00638940 -0.00292660
-2.98027100 -0.16956681 -22.54675478
-0.00029909 -0.00046355 0.00109878
0.00242585 0.00728897 0.00364741
-4.73332504 1.49288099 -24.02063388
-0.00081039 0.00063551 0.00021174
-0.07319819 0.02075807 -0.00576350
-12.35825344 9.94442362 9.55334724
0.00000228 -0.00060824 -0.00011555
-0.00392686 -0.00843839 0.00051763
-13.61135260 9.30506310 7.04821156
-0.00077658 -0.00040429 -0.00023452
-0.00468890 0.00288720 -0.00400885
-14.84800087 4.93073835 -4.38854849
-0.00035893 0.00008971 -0.00022526
-0.00357566 -0.01419778 -0.01149006
-13.61727252 7.51085429 -4.38424115
0.00010010 -0.00012084 -0.00103268
-0.00146912 0.03034113 -0.01223498
-4.35428441 -15.84968935 20.49443992
0.00016409 -0.00059677 0.00052262
0.02003193 0.00332051 0.00430880
-1.89844683 -16.72019082 19.39119359
-0.00056066 0.00028043 -0.00031607
0.01034953 -0.00471760 -0.00847483
-5.58136903 6.14772742 -7.46341329
-0.00086433 -0.00027696 0.00032881
0.00028199 0.00587284 -0.00700547
-7.36592068 8.30283449 -6.76858072
0.00029351 -0.00002555 0.00042627
0.00625749 0.00680021 -0.00975828
-20.78997214 29.00569988 1.04179450
0.00058311 -0.00007802 0.00026411
-0.02108103 -0.02764654 -0.00499784
-18.02683765 29.58550798 0.22117670
-0.00008086 0.00016625 -0.00035208
-0.00028401 -0.00866889 0.00644770
9.12071685 2.70936250 6.53616547
-0.00051721 -0.00013454 -0.00016320
0.01453493 0.03127804 0.03028206
9.21955169 5.60009374 7.90214750
0.00022421 0.00093380 0.00080532
0.00781050 -0.02379749 0.00288315
7.70217213 17.75886834 -12.33092444
0.00027415 0.00045225 -0.00026412
0.00900350 0.00687340 -0.00451845
8.41736529 14.93798497 -12.33617381
-0.00004222 0.00020949 -0.00014315
-0.01124344 0.01433505 0.01243720
12.22031966 6.00515022 -1.19969926
-0.00030586 0.00085620 -0.00010903
-0.02172678 0.01804594 0.00837363
13.59465188 3.71585545 0.28909557
-0.00039212 -0.00000730 -0.00015327
-0.00936548 0.01724218 -0.01090273
-4.61103834 10.44729373 -1.85025142
-0.00083471 0.00000167 -0.00025951
0.00230619 0.02266784 -0.01517912
-6.90927199 10.77779966 -0.51903147
0.00042044 0.00055377 0.00015790
-0.02655868 0.00054094 0.01984601
7.50699514 14.35629646 5.07540777
0.00056018 -0.00097396 0.00055541
0.00443803 -0.01423321 -0.00066168
9.16158070 12.01645240 4.44336332
-0.00026036 0.00003222 0.00086308
0.04420746 -0.01440053 -0.02841875
20.17978317 -13.02642487 -8.80702878
-0.00072442 -0.00012488 0.00003845
-0.02351856 -0.02688575 0.01324093
23.04970831 -12.64235438 -9.46923652
-0.00187873 -0.00019823 -0.00118966
-0.01875440 0.00145816 0.00244955
19.62280840 -4.97295097 -2.48457526
-0.00050329 0.00000314 0.00069936
0.00281852 0.00780489 -0.00266807
18.31464398 -6.94828210 -0.99700502
0.00068237 -0.00051005 0.00113092
-0.01402207 -0.02099753 0.00663132
13.93060240 9.42500592 9.26940632
-0.00040372 -0.00042148 0.00042049
-0.00461765 0.00162096 -0.00455218
15.47228137 7.57995108 10.75999621
0.00090374 -0.00021040 -0.00005767
-0.00162064 0.00553337 -0.02409917
3.04228771 -15.10064359 17.40699950
0.00012792 -0.00133449 -0.00005448
0.00687547 0.00486982 -0.01346282
3.15695015 -12.27748798 17.20388841
0.00030568 0.00051415 -0.00071924
0.00887814 0.00301085 -0.00729483
-2.72085958 -3.77136259 -12.51648886
-0.00032988 -0.00030711 -0.00000812
0.00384749 0.01068018 -0.01054311
-0.83943783 -1.96628290 -13.93582903
-0.00065702 -0.00043863 -0.00086483
0.01541103 0.00438270 0.00560777
15.76194059 -7.48638383 -14.95240379
-0.00042010 -0.00046976 0.00022304
0.00843067 -0.00795246 -0.02049754
16.87615884 -8.17444949 -12.34986700
0.00063646 0.00043600 -0.00045661
0.02591880 -0.01344285 0.01396624
8.33027899 -3.29311605 5.81444917
0.00059353 0.00067693 -0.00067720
-0.03670489 0.00728962 -0.02857529
10.91677330 -4.61737565 5.28459372
0.00051528 0.00018649 0.00082754
-0.00990982 0.01096387 0.00006910
-20.77109038 0.24686652 25.16049599
0.00127021 -0.00053191 -0.00094909
-0.01076793 -0.00848761 -0.00526340
-19.64500099 2.73183833 26.13006068
-0.00048548 0.00017275 0.00017189
0.00398559 -0.00284151 -0.01008621
25.06583268 -2.53503930 -7.58622585
-0.00058580 0.00073035 0.00015736
0.01792398 -0.02210263 0.01378513
23.65854354 -0.79480581 -9.11427551
0.00063195 0.00066626 0.00029848
-0.00292434 0.01196200 -0.00512322
12.09918185 -10.67751566 -9.63097065
0.00085806 -0.00113026 -0.00014173
0.00829883 0.00723940 0.00923079
12.92807174 -9.17894345 -12.20547545
-0.00020816 0.00075117 0.00011604
-0.00781929 -0.00962337 0.01855951
-7.50527155 -10.76192096 17.31546342
0.00000882 0.00010849 -0.00010442
0.04081619 0.00002660 0.01528943
-10.07809169 -10.09507250 17.65110310
0.00028709 0.00084898 -0.00061074
-0.01103063 -0.00564787 -0.00958366
8.20441679 1.20159952 -29.42439797
0.00064771 -0.00030966 -0.00035167
-0.00275758 0.01634799 0.01606862
5.43756339 0.86855091 -28.41230848
0.00054775 0.00045481 -0.00004286
0.00929760 0.00373486 0.00402820
13.93673352 19.29267392 13.63995714
0.00015828 0.00021266 0.00019245
0.01812040 0.01862983 0.02127390
13.53183891 17.73977691 11.41915151
0.00133053 -0.00038889 -0.00031527
-0.00302669 -0.00827610 -0.00918687
27.83406006 7.82155027 -11.55192641
-0.00056715 0.00001015 -0.00028020
-0.00743052 -0.00234712 -0.00666221
26.19110725 7.67221409 -9.23677356
0.00034223 0.00015289 0.00037482
-0.00327658 0.00112464 0.01718816
-7.81066758 4.72903162 6.18175773
0.00009288 0.00000498 0.00013074
-0.00335050 -0.00258115 0.00258961
-10.24366614 9.10250507 3.10352015
0.00031141 -0.00011370 0.00026077
0.00867719 -0.00129475 0.00528252
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.07614077
0.30143383
401.64547056
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0596656977
ExchangeOperator: pair fraction: ispin=0: 0.1490319091
ExchangeOperator: bisection time: 1.878 s
total exchange = -52.4119167677 (a.u.)
total exchange computation time: 2.9936800003 s
-154.2350323619
-931.38018750
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0596656977
ExchangeOperator: pair fraction: ispin=0: 0.1490319091
ExchangeOperator: bisection time: 1.877 s
total exchange = -52.4109613757 (a.u.)
total exchange computation time: 2.9964289665 s
-154.2437467764
Anderson extrapolation: theta=1.3419631513 (1.3419631513)
-931.38044554
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0596656977
ExchangeOperator: pair fraction: ispin=0: 0.1490319091
ExchangeOperator: bisection time: 1.874 s
total exchange = -52.4095659541 (a.u.)
total exchange computation time: 2.9926280975 s
-154.2560789031
Anderson extrapolation: theta=0.0500683342 (0.0500683342)
-931.38059805
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0596656977
ExchangeOperator: pair fraction: ispin=0: 0.1490319091
ExchangeOperator: bisection time: 1.874 s
total exchange = -52.4094070082 (a.u.)
total exchange computation time: 2.9919841290 s
-154.2572620558
Anderson extrapolation: theta=1.8880173558 (1.8880173558)
-931.38060348
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0596656977
ExchangeOperator: pair fraction: ispin=0: 0.1490319091
ExchangeOperator: bisection time: 1.876 s
total exchange = -52.4090790129 (a.u.)
total exchange computation time: 2.9937210083 s
-154.2596384733
Anderson extrapolation: theta=0.2184509481 (0.2184509481)
-931.38060894
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0596656977
ExchangeOperator: pair fraction: ispin=0: 0.1490319091
ExchangeOperator: bisection time: 1.877 s
total exchange = -52.4089981882 (a.u.)
total exchange computation time: 2.9926159382 s
-154.2601724899
Anderson extrapolation: theta=1.9055867542 (1.9055867542)
-931.38060998
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0596656977
ExchangeOperator: pair fraction: ispin=0: 0.1490319091
ExchangeOperator: bisection time: 1.873 s
total exchange = -52.4088649438 (a.u.)
total exchange computation time: 2.9937679768 s
-154.2609992084
Anderson extrapolation: theta=0.2860289317 (0.2860289317)
-931.38061130
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0596656977
ExchangeOperator: pair fraction: ispin=0: 0.1490319091
ExchangeOperator: bisection time: 1.875 s
total exchange = -52.4088491623 (a.u.)
total exchange computation time: 2.9924778938 s
-154.2610416500
Anderson extrapolation: theta=1.3018566857 (1.3018566857)
-931.38061164
21.044096 26.995212 -166.571173
560.464337 1074.539674 -407.425094
581.508434 1101.534886 -573.996267
1371.496583
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0596656977
ExchangeOperator: pair fraction: ispin=0: 0.1490319091
ExchangeOperator: bisection time: 1.876 s
total exchange = -52.4088466706 (a.u.)
total exchange computation time: 2.9923169613 s
679.29142650
-1085.11988493
89.84612004
-388.10657489
-174.88285201
79.00598045
551.60419304
0.00000000
-931.38061197
4.55004150 -31.03850547 -3.48763014
-0.00002086 -0.00029385 -0.00003489
-0.00645673 0.01305307 0.00809698
-11.63176945 2.14777438 -9.24557967
0.00022185 0.00006097 0.00017428
-0.05371393 -0.01638257 -0.01493806
-36.19120243 1.43893960 3.18431659
0.00001426 -0.00013247 0.00030193
0.01045374 -0.04125329 0.01950227
-7.38599902 -3.45825484 2.64493933
0.00022182 0.00004270 0.00007305
-0.00848332 -0.00484515 -0.00322604
2.23947317 0.00649376 9.09337210
0.00001460 -0.00021644 0.00007790
0.02992817 -0.02753629 -0.04750849
-31.08428241 1.56842693 2.55716119
0.00008486 0.00035029 -0.00012332
-0.02601359 0.01297859 0.00775697
16.83006104 13.15334493 -18.35944498
-0.00015959 -0.00016624 -0.00036686
-0.05664338 -0.01748962 -0.01657481
-3.45486981 5.05970090 5.46850075
-0.00005927 -0.00011271 -0.00012513
-0.00735069 0.01027154 0.02737837
5.65989486 17.04025796 -7.06614895
-0.00026650 -0.00012233 -0.00034588
0.02089423 0.01803639 0.01105420
7.24073293 5.78754977 -20.81456746
0.00012234 0.00020390 0.00019970
0.03107824 0.01305723 -0.04170628
18.61494354 19.56745762 -5.16984993
0.00014751 -0.00002648 -0.00016453
0.01068767 -0.01904254 -0.04342989
1.97771718 14.11158365 -21.24334878
0.00013561 0.00036323 -0.00001468
-0.00755693 -0.01457756 0.00329046
10.54828090 -5.27951716 0.41932341
0.00016388 -0.00001165 -0.00005129
0.02598849 -0.03810186 0.02511483
-17.75958467 -4.36296387 5.34627606
0.00062851 -0.00043989 0.00002638
-0.01313409 -0.02143654 0.01117770
-14.30476382 -1.33149050 20.70591343
-0.00007059 0.00017429 0.00001579
-0.00391149 0.01845086 -0.00667998
1.60553262 3.72348319 -4.05752158
0.00000357 -0.00009735 -0.00004943
-0.00034232 0.01581952 0.00905721
21.23521223 -10.58294708 -4.46173030
-0.00015334 0.00006680 0.00025465
-0.06750880 -0.02381628 0.01482907
3.07488664 -10.52671270 7.67422071
0.00014753 -0.00025756 -0.00031927
0.03443459 0.00382918 -0.02052403
-1.98038457 -1.77696622 -19.81448527
-0.00018338 -0.00010800 -0.00043772
-0.01068514 -0.00984532 0.02802556
-0.65040660 3.76431290 -10.55879534
-0.00038220 0.00031135 -0.00037557
-0.00013685 -0.00953813 0.03503488
-4.94261291 14.74472804 14.39672541
0.00009312 0.00018400 -0.00018958
0.00136383 0.03436515 0.02683037
-5.28875109 2.78258078 -7.11775186
0.00017541 0.00003954 0.00031126
0.00064259 -0.01363871 -0.00593751
-9.21837486 0.93482078 -4.02602236
0.00023650 0.00015444 -0.00018277
0.02048243 -0.04132814 -0.04263383
2.85433633 27.48307749 5.78670444
-0.00010099 -0.00011641 -0.00008753
0.00462418 0.00430988 0.05724428
9.77511426 -10.83627843 -1.46156118
-0.00029125 0.00008665 0.00002973
0.03774622 0.01386472 -0.00804557
-6.76911508 1.04806698 9.27695427
0.00001650 -0.00017271 -0.00011917
-0.01837918 -0.01684751 -0.00850007
20.18170527 10.76377456 6.90875115
0.00015864 -0.00015464 0.00005134
0.01500227 -0.00752358 -0.02072160
-3.08805149 1.04075862 -23.95167083
0.00017885 -0.00006400 -0.00031031
0.05814508 -0.02487392 0.01004482
-13.52382588 8.68342625 8.75362728
0.00026136 -0.00020708 0.00026068
-0.00648715 -0.00565413 0.00075708
-13.65184340 5.96577104 -3.52905113
-0.00016189 -0.00023697 -0.00022268
0.00825524 -0.01307870 0.02063020
-2.52738470 -15.47116128 20.53289073
-0.00042656 -0.00012421 0.00002899
-0.03483496 0.00282024 0.01025198
-5.93550552 7.93630688 -7.88035319
0.00019195 0.00042473 0.00007825
-0.00347180 -0.02323878 0.00984910
-19.57614607 30.26549127 0.87731074
0.00018686 -0.00015550 -0.00009748
0.01466466 0.04373812 0.00350835
9.87526577 3.80303784 7.94004022
0.00011669 -0.00014524 -0.00007574
-0.01649475 -0.00784335 -0.02920554
7.26791775 16.19032409 -11.55974383
-0.00001736 0.00014160 0.00011917
0.00430986 -0.02318855 -0.01148377
13.50188461 4.79076043 -1.26936509
-0.00012424 -0.00054249 -0.00001165
0.02990353 -0.01894364 0.00508058
-6.01678896 11.68760762 -1.76747158
0.00029352 0.00010653 0.00058051
0.03206072 -0.01703558 -0.00873590
7.70516476 12.52375825 5.26677793
-0.00024129 0.00006328 -0.00004584
-0.04950383 0.02960693 0.02524949
21.36172634 -11.87256940 -9.41702940
-0.00040577 0.00022584 0.00020564
0.02272625 0.02777733 -0.02227979
19.69659793 -5.81009344 -0.85132153
-0.00024762 0.00024293 0.00028706
0.01471483 0.01201349 -0.00251957
15.05448482 8.02215643 8.96072364
0.00048263 -0.00001716 0.00042479
0.00740550 -0.00711175 0.03183100
3.82717073 -13.76449761 16.35738481
-0.00008215 0.00004968 -0.00002692
-0.01372398 -0.01976442 0.01542044
-2.58023089 -2.24898585 -13.55420933
0.00008804 0.00023625 0.00018842
-0.02844096 -0.01851202 0.00863713
15.50108788 -7.42837629 -13.17282939
-0.00012094 -0.00004110 -0.00003606
-0.03450422 0.01901120 0.00812705
9.83327343 -3.82230959 6.52964525
0.00020593 -0.00021548 -0.00037723
0.04335559 -0.01284715 0.02814500
-19.42819334 1.40596070 24.82982002
-0.00020900 -0.00013744 0.00001292
0.01049756 0.01348347 0.01077013
24.06263634 -1.04904093 -7.35573866
-0.00026385 0.00013644 -0.00003860
-0.01195012 0.01464930 -0.00690113
11.65002992 -10.31127200 -11.36008481
0.00007907 0.00040540 -0.00007498
0.00593884 0.01161418 -0.01583341
-8.95894321 -10.65556235 16.29535691
-0.00035082 0.00020491 -0.00034312
-0.03660271 0.00614583 -0.00867775
7.08111828 1.58250705 -27.93388819
0.00015979 -0.00011373 -0.00005000
-0.00676067 -0.01825910 -0.02066464
12.60190309 18.51945630 12.76281227
-0.00018645 -0.00031878 -0.00023326
-0.00436585 -0.01242133 -0.01323175
26.05211991 7.54900907 -11.05773029
0.00020991 -0.00001196 0.00005161
0.01306721 -0.00094873 -0.00370577
5.04088146 -29.85099176 -4.82853255
-0.00037717 0.00025677 0.00044003
-0.00180064 -0.00033905 0.00344555
3.86104481 -29.99553971 -2.09148328
-0.00031852 -0.00038833 0.00023379
0.01018602 -0.01666736 -0.01145996
-10.04035910 2.54397639 -8.69834346
0.00029886 0.00073851 0.00020804
0.04990696 0.01192865 0.01616033
-11.79853778 2.57512362 -11.01576796
0.00010740 0.00024802 0.00018907
0.00076920 0.00468144 -0.00590079
-36.67674407 3.15647575 3.01344492
-0.00015309 0.00089927 -0.00028650
-0.00907613 0.03492217 -0.01669333
-37.71144772 0.57883907 3.69506687
0.00015613 0.00113101 -0.00113267
-0.00639731 -0.00134095 -0.00336127
-8.85307954 -3.91806254 1.56347082
-0.00092964 0.00030848 0.00046873
0.01165642 -0.00321096 0.00854466
-6.45805494 -5.02197789 2.88123928
-0.00042629 -0.00026468 0.00012926
-0.00399749 0.00101629 -0.00265251
2.99118618 -0.08192087 7.32721771
0.00009891 0.00000321 0.00063412
-0.01390180 -0.00102343 0.04073485
1.56697253 1.65128868 9.21609726
-0.00055888 -0.00051472 -0.00015330
-0.01597524 0.02207847 0.00465498
-30.01738732 0.17503792 2.91396191
-0.00070359 -0.00006216 0.00045038
0.01285261 -0.02275734 0.00034267
-32.83997426 0.93466083 2.79660351
-0.00070472 -0.00040206 0.00022224
0.01538323 0.00984571 -0.00270422
15.72650878 11.56640984 -18.51502436
0.00065567 0.00059762 -0.00003130
0.02287138 0.03869751 0.00522737
18.33079201 12.56238085 -17.61435830
-0.00061719 0.00053864 -0.00077680
0.02778713 -0.01467665 0.01846086
-2.87284590 6.67161517 6.15083320
0.00010791 -0.00011222 0.00014352
-0.00471565 -0.00326239 0.00322851
-2.76344668 5.08007788 3.84905580
0.00072403 -0.00049051 -0.00052082
0.01318779 -0.00425203 -0.03438175
6.32793243 16.42013464 -8.72693942
0.00080800 0.00021271 0.00127245
-0.00013978 0.00681728 0.00710733
7.04889744 18.10608868 -6.34835008
0.00026681 -0.00009920 0.00138864
-0.02315162 -0.02051268 -0.01326590
7.83426130 5.49276392 -22.63817482
-0.00035748 0.00046920 -0.00083812
-0.02305337 -0.00510430 0.01601955
8.60244908 7.03732820 -20.63448432
-0.00037940 0.00060275 0.00113010
-0.00674436 0.00259613 0.02458339
19.16347607 21.10031485 -4.41303256
-0.00114076 -0.00064164 -0.00016597
-0.00051128 0.02409416 0.02868053
19.52415189 19.76721467 -6.78641684
0.00013445 -0.00019521 0.00024127
-0.00838756 -0.01232258 0.01456669
1.31454055 12.38202158 -21.04472155
-0.00027942 0.00003297 -0.00125531
0.01550428 0.01139879 0.00068324
0.68443162 14.84877242 -22.30354603
-0.00060372 0.00000783 -0.00011814
-0.01055825 0.00798818 0.00333596
9.86470220 -6.97223997 0.22800691
-0.00035065 0.00027976 0.00101746
0.00715592 0.00036260 -0.00485512
9.39463948 -4.20661719 -0.34254825
-0.00030150 -0.00021253 0.00121135
-0.03260818 0.03658014 -0.02442900
-18.27041431 -5.61952289 6.62702946
-0.00007467 -0.00080878 -0.00012252
0.00938578 0.01455083 -0.00280713
-18.77762913 -4.99296938 3.95892991
-0.00022041 0.00027017 -0.00029818
0.00311358 0.00410480 -0.00846607
-14.48073800 -0.10860540 19.29356744
-0.00026106 -0.00099443 0.00062886
0.00068910 -0.01386851 -0.00061896
-14.55849971 -0.20784805 22.13855925
-0.00059090 0.00026953 0.00011247
0.00270178 -0.00646670 0.00333369
1.02155119 2.64414988 -2.69798787
-0.00012923 -0.00021457 -0.00082929
0.00233636 -0.00276534 -0.00800171
1.89892823 2.74554194 -5.54401603
-0.00047719 0.00075179 -0.00119362
-0.00167866 -0.01510113 0.00032272
21.26525794 -10.39754373 -6.22211514
-0.00019956 0.00082120 -0.00039434
0.00687997 0.00448553 -0.03213844
22.68021853 -10.04893745 -3.72146053
0.00039894 -0.00005213 -0.00141692
0.06118822 0.02572223 0.02145806
4.76504668 -10.36764085 6.73291336
-0.00050238 -0.00001324 -0.00022178
-0.03622710 -0.00799014 0.02234477
3.39416084 -11.57103250 9.15642890
-0.00009282 0.00073648 0.00010507
0.00127944 0.00386440 -0.00570084
-2.00978366 -3.41154070 -20.68398388
0.00026951 0.00015439 0.00058134
-0.00229460 -0.00115099 -0.00214127
-3.04920923 -2.08340028 -18.29204336
0.00084786 -0.00011609 0.00060216
0.01574269 0.00781703 -0.02380471
0.91376927 4.76546413 -10.55734942
0.00013395 -0.00047970 -0.00046161
-0.01406641 -0.00532689 0.01084764
-1.09479994 3.21376629 -8.75892515
0.00094334 -0.00004876 0.00132350
0.01601329 0.02128150 -0.04323374
-4.07449885 15.83098336 15.70816883
-0.00065317 0.00051323 0.00029338
-0.01715540 -0.02452629 -0.02742064
-6.73354477 15.17292119 14.69066420
-0.00002109 0.00010982 -0.00081114
0.01679682 -0.00919779 -0.00303715
-6.59280648 2.09274244 -5.95611870
0.00064517 0.00000910 0.00044420
0.00737535 -0.00389564 -0.01009895
-5.00355738 1.57992876 -8.51615897
-0.00092280 0.00049876 -0.00060702
-0.01365021 0.01504571 0.01519220
-9.96910150 -0.70039457 -3.74615139
-0.00046473 0.00014796 0.00064057
-0.00066695 0.00690587 0.00371970
-9.73624782 2.12898323 -2.83804382
-0.00062907 0.00010079 0.00042124
-0.01213834 0.02903645 0.02739888
3.44324059 28.96812226 4.93934790
0.00067626 0.00050878 0.00013691
0.00159995 0.00910745 -0.00971532
3.10071613 27.85649460 7.66584835
-0.00010341 0.00107328 0.00038811
-0.00613967 -0.00644691 -0.04394158
8.03071272 -11.10552776 -1.35386864
-0.00100694 -0.00053681 -0.00105826
-0.03044445 -0.00360959 0.00394452
10.68535198 -11.56818890 -0.00511077
-0.00034597 -0.00125058 -0.00025267
-0.01320922 0.00074799 -0.00410379
-5.40408829 -0.08248755 8.73657648
-0.00003875 0.00103210 0.00058147
-0.00203099 0.00489501 0.00365839
-8.33482914 0.03953933 9.05809368
-0.00025404 0.00079501 0.00036873
0.02077912 0.01212074 0.00567704
20.12689634 10.74679190 8.69564115
-0.00126681 -0.00066538 -0.00065811
-0.00788951 -0.00149332 0.02649894
22.02111204 10.74226444 6.68409905
-0.00166523 -0.00003173 0.00006438
-0.00106903 0.00614033 -0.00396646
-2.98468299 -0.17629673 -22.53016134
-0.00028989 -0.00042324 0.00110106
0.00207738 0.01244351 -0.00252881
-4.74772385 1.50304967 -24.01763433
-0.00108137 0.00071286 0.00019013
-0.05944900 0.01710877 -0.00481471
-12.35833950 9.93504149 9.55162991
-0.00000975 -0.00063754 -0.00011169
-0.00196295 -0.00590403 0.00137105
-13.62314499 9.29908728 7.04457091
-0.00079447 -0.00039414 -0.00024325
-0.00406714 0.00207924 -0.00026423
-14.85349436 4.93164893 -4.39227954
-0.00037381 0.00003056 -0.00027228
-0.00370787 -0.01475413 -0.01152222
-13.61581601 7.50997138 -4.40010621
0.00009428 -0.00000594 -0.00107721
-0.00138195 0.02590667 -0.00956465
-4.35120920 -15.85853908 20.50241124
0.00023884 -0.00058407 0.00054034
0.01655630 0.00289401 0.00436492
-1.90653962 -16.71612899 19.38619287
-0.00051731 0.00026028 -0.00035146
0.01086999 -0.00514229 -0.00885033
-5.59432532 6.14375301 -7.45869581
-0.00086224 -0.00024741 0.00029773
0.00074165 0.00859054 -0.00820614
-7.36132632 8.30265966 -6.76248574
0.00031891 0.00000382 0.00038575
0.00617736 0.00757689 -0.01007568
-20.78187150 29.00368238 1.04560305
0.00049385 -0.00019445 0.00024435
-0.02261228 -0.02934770 -0.00467611
-18.02805933 29.58773613 0.21609302
-0.00007888 0.00012947 -0.00032712
0.00125685 -0.00933521 0.00577208
9.11340404 2.70830285 6.53464544
-0.00045680 -0.00000512 -0.00003805
0.01503649 0.03207345 0.03097936
9.22315410 5.61337145 7.91431572
0.00025873 0.00082786 0.00081644
0.00908851 -0.02805800 0.00255739
7.70656033 17.76586268 -12.33502467
0.00030855 0.00047271 -0.00027876
0.00783227 0.00314266 -0.00264781
8.41638739 14.94156658 -12.33793995
-0.00008830 0.00026805 -0.00009208
-0.01131092 0.01432969 0.01256030
12.21506592 6.01854619 -1.20107811
-0.00037844 0.00091498 -0.00007537
-0.01380003 0.01072543 0.00810357
13.58848305 3.71627432 0.28646244
-0.00042991 0.00006025 -0.00019315
-0.00913013 0.01582590 -0.00861750
-4.62348834 10.44801335 -1.85460928
-0.00081727 0.00008797 -0.00032173
0.00623035 0.01957598 -0.01527561
-6.90377929 10.78612280 -0.51605489
0.00030686 0.00055159 0.00024597
-0.02903935 -0.00160930 0.02326548
7.51553389 14.34125085 5.08371871
0.00057578 -0.00101462 0.00055127
0.00319512 -0.00566887 -0.00136601
9.15902988 12.01649446 4.45543867
-0.00007384 -0.00002908 0.00074441
0.04709722 -0.01560606 -0.02966911
20.16819619 -13.02912199 -8.80604621
-0.00081533 -0.00022838 0.00008936
-0.02098358 -0.02377863 0.01167748
23.02095266 -12.64528322 -9.48700636
-0.00193895 -0.00019887 -0.00118006
-0.01072309 -0.00176909 0.00225131
19.61534549 -4.97266477 -2.47416664
-0.00049286 0.00003725 0.00068265
0.00228265 0.00889217 -0.00551044
18.32444981 -6.95657632 -0.97983803
0.00062194 -0.00059807 0.00115671
-0.01555577 -0.02208849 0.00599106
13.92440508 9.41873336 9.27557421
-0.00042008 -0.00041741 0.00040203
-0.00338754 0.00037037 -0.00448458
15.48578776 7.57696463 10.75839262
0.00089711 -0.00018778 -0.00015244
-0.00162179 0.00553785 -0.02228895
3.04441712 -15.12051168 17.40576978
0.00015919 -0.00130324 -0.00011407
0.00843256 0.01042815 -0.01570650
3.16180733 -12.26968344 17.19287633
0.00034041 0.00052465 -0.00074675
0.00812244 0.00212916 -0.00617123
-2.72568986 -3.77564203 -12.51693379
-0.00031291 -0.00025901 -0.00005412
0.00445688 0.01286921 -0.01197405
-0.84882084 -1.97272803 -13.94862958
-0.00058468 -0.00042027 -0.00084351
0.01999999 0.00460172 0.00482606
15.75589737 -7.49367386 -14.94968633
-0.00038576 -0.00050171 0.00013504
0.00837901 -0.00768739 -0.02257794
16.88650001 -8.16832137 -12.35628820
0.00073825 0.00038319 -0.00040116
0.02390657 -0.01240809 0.01317687
8.33805714 -3.28273876 5.80341551
0.00044714 0.00070584 -0.00079324
-0.03495176 0.00686396 -0.02822699
10.92419883 -4.61424237 5.29700899
0.00048155 0.00022618 0.00081879
-0.00660217 0.00846597 -0.00435367
-20.75236713 0.23862778 25.14609833
0.00121377 -0.00057632 -0.00096659
-0.01686353 -0.01324907 -0.00330300
-19.65216111 2.73434253 26.13232994
-0.00046954 0.00015677 0.00012793
0.00381979 -0.00498172 -0.01143140
25.05759486 -2.52476131 -7.58344297
-0.00050683 0.00063120 0.00021243
0.02073367 -0.02643209 0.01316934
23.66793320 -0.78444531 -9.10995529
0.00061818 0.00071592 0.00027087
-0.00381690 0.01234481 -0.00839037
12.11230707 -10.69424767 -9.63281370
0.00089024 -0.00109832 -0.00011063
0.00745187 0.00839220 0.00599061
12.92470980 -9.16797081 -12.20316614
-0.00023897 0.00071142 0.00019183
-0.00726452 -0.00983219 0.01853969
-7.50388854 -10.76029274 17.31436567
0.00016780 0.00010904 -0.00004740
0.03700623 0.00024153 0.01262171
-10.07412329 -10.08251085 17.64164833
0.00023812 0.00082764 -0.00064588
-0.01294241 -0.00480000 -0.00761987
8.21404796 1.19745551 -29.42918063
0.00063278 -0.00024146 -0.00028156
-0.00455372 0.01703782 0.01825172
5.44606452 0.87548747 -28.41282788
0.00057859 0.00046678 -0.00002853
0.00580213 0.00212583 0.00298584
13.93966301 19.29643465 13.64349579
0.00022131 0.00028296 0.00027286
0.01273017 0.01578590 0.01808603
13.55170415 17.73368996 11.41414100
0.00131063 -0.00041687 -0.00034279
-0.00671466 -0.00542100 -0.00428432
27.82532515 7.82163057 -11.55633353
-0.00058960 0.00000165 -0.00030866
-0.00355785 -0.00181118 -0.00727001
26.19614035 7.67454196 -9.23062464
0.00032833 0.00015758 0.00043985
-0.00352740 0.00116979 0.01464564
-7.80928334 4.72909935 6.18372578
0.00009167 0.00000405 0.00013164
-0.00343845 -0.00258504 0.00243718
-10.23897990 9.10079732 3.10744091
0.00031339 -0.00011399 0.00026197
0.00842991 -0.00125039 0.00507749
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.07620405
0.30440792
405.60829663
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0596656977
ExchangeOperator: pair fraction: ispin=0: 0.1490319091
ExchangeOperator: bisection time: 1.787 s
total exchange = -52.4097422185 (a.u.)
total exchange computation time: 3.0029950142 s
-154.2255591661
-931.38330262
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0596656977
ExchangeOperator: pair fraction: ispin=0: 0.1490319091
ExchangeOperator: bisection time: 1.783 s
total exchange = -52.4088096026 (a.u.)
total exchange computation time: 3.0021839142 s
-154.2339515412
Anderson extrapolation: theta=1.3436303803 (1.3436303803)
-931.38355067
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0596656977
ExchangeOperator: pair fraction: ispin=0: 0.1490319091
ExchangeOperator: bisection time: 1.785 s
total exchange = -52.4074425036 (a.u.)
total exchange computation time: 3.0061249733 s
-154.2458874578
Anderson extrapolation: theta=0.0502136692 (0.0502136692)
-931.38369731
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0596656977
ExchangeOperator: pair fraction: ispin=0: 0.1490319091
ExchangeOperator: bisection time: 1.783 s
total exchange = -52.4072843163 (a.u.)
total exchange computation time: 3.0047941208 s
-154.2470659501
Anderson extrapolation: theta=1.8848091565 (1.8848091565)
-931.38370249
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0596656977
ExchangeOperator: pair fraction: ispin=0: 0.1490319091
ExchangeOperator: bisection time: 1.785 s
total exchange = -52.4069579282 (a.u.)
total exchange computation time: 3.0027971268 s
-154.2494348436
Anderson extrapolation: theta=0.2164863251 (0.2164863251)
-931.38370768
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0596656977
ExchangeOperator: pair fraction: ispin=0: 0.1490319091
ExchangeOperator: bisection time: 1.783 s
total exchange = -52.4068776955 (a.u.)
total exchange computation time: 3.0037899017 s
-154.2499661097
Anderson extrapolation: theta=1.9025641175 (1.9025641175)
-931.38370866
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0596656977
ExchangeOperator: pair fraction: ispin=0: 0.1490319091
ExchangeOperator: bisection time: 1.787 s
total exchange = -52.4067453020 (a.u.)
total exchange computation time: 3.0029909611 s
-154.2507880147
Anderson extrapolation: theta=0.2872880212 (0.2872880212)
-931.38370990
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0596656977
ExchangeOperator: pair fraction: ispin=0: 0.1490319091
ExchangeOperator: bisection time: 1.784 s
total exchange = -52.4067291551 (a.u.)
total exchange computation time: 3.0069351196 s
-154.2508316681
Anderson extrapolation: theta=1.3131937822 (1.3131937822)
-931.38371023
21.002993 27.026883 -166.499694
560.382601 1074.573142 -407.460504
581.385594 1101.600025 -573.960198
1371.481729
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0596656977
ExchangeOperator: pair fraction: ispin=0: 0.1490319091
ExchangeOperator: bisection time: 1.784 s
total exchange = -52.4067257163 (a.u.)
total exchange computation time: 3.0043890476 s
679.25287333
-1085.04187422
89.84958616
-388.16097690
-174.87659316
78.96217655
551.60419304
0.00000000
-931.38371051
4.54970368 -31.04286283 -3.48812220
-0.00002437 -0.00028694 -0.00003040
-0.00719195 0.01380541 0.00935390
-11.62864890 2.14862569 -9.24302312
0.00019520 0.00005272 0.00016680
-0.04991655 -0.01566821 -0.01412671
-36.19094815 1.43679344 3.18892081
0.00002071 -0.00015026 0.00031110
0.01463267 -0.02795031 0.01614417
-7.38270441 -3.45763299 2.64602270
0.00021661 0.00004017 0.00007093
-0.01180240 -0.00500562 -0.00504606
2.23980760 0.00314095 9.09435735
0.00002971 -0.00023048 0.00005424
0.02882743 -0.02704340 -0.04450333
-31.08310980 1.57373130 2.55534130
0.00007001 0.00035611 -0.00011900
-0.03172943 0.00965856 0.00905159
16.82744863 13.15078386 -18.36501185
-0.00018911 -0.00017353 -0.00037583
-0.05815188 -0.01084506 -0.01831351
-3.45578729 5.05804984 5.46672944
-0.00006231 -0.00010726 -0.00011257
-0.00447058 0.01092075 0.02144938
5.65597797 17.03849264 -7.07129452
-0.00025513 -0.00011167 -0.00033788
0.02332304 0.02339597 0.02007086
7.24268790 5.79065866 -20.81173287
0.00013828 0.00021038 0.00017762
0.03092512 0.01213510 -0.04412816
18.61719734 19.56698703 -5.17248543
0.00015209 -0.00003801 -0.00018705
0.00713755 -0.02580041 -0.04414072
1.97972214 14.11697590 -21.24355635
0.00013072 0.00035551 -0.00001361
-0.01145601 -0.01543745 0.00087643
10.55083941 -5.27983889 0.41865098
0.00017774 -0.00003120 -0.00003822
0.02787679 -0.03793480 0.02568755
-17.75020774 -4.36964487 5.34671491
0.00062100 -0.00045148 0.00003172
-0.01607200 -0.02362744 0.00956315
-14.30583776 -1.32880499 20.70612449
-0.00007250 0.00018268 0.00001419
-0.00353400 0.01418984 0.00044666
1.60558487 3.72208391 -4.05822807
0.00000392 -0.00008901 -0.00004629
0.00171671 0.01663223 0.00315432
21.23265174 -10.58203690 -4.45785335
-0.00018819 0.00005478 0.00026030
-0.06801792 -0.02292378 0.00713919
3.07723235 -10.53056129 7.66935250
0.00016430 -0.00025533 -0.00032981
0.03081381 0.00483183 -0.02047728
-1.98317656 -1.77862419 -19.82094303
-0.00018889 -0.00011202 -0.00042235
-0.01070783 -0.00578760 0.03175200
-0.65614013 3.76894638 -10.56429373
-0.00038242 0.00030600 -0.00035575
-0.00073823 -0.01127654 0.04202850
-4.94121092 14.74762065 14.39398521
0.00009386 0.00020178 -0.00017568
0.00152426 0.03474943 0.02723066
-5.28611739 2.78312134 -7.11310580
0.00017600 0.00003256 0.00030768
0.00161855 -0.01353502 -0.00798973
-9.21474837 0.93697793 -4.02892832
0.00024597 0.00013354 -0.00020316
0.01636208 -0.03992612 -0.03665683
2.85283939 27.48134792 5.78561233
-0.00009798 -0.00011255 -0.00005797
0.00705848 0.01070278 0.05768063
9.77089116 -10.83492519 -1.46114627
-0.00027348 0.00009333 0.00002604
0.03136123 0.01210436 -0.00629190
-6.76893841 1.04541128 9.27513387
0.00000630 -0.00017956 -0.00012277
-0.02128486 -0.00978349 -0.00548998
20.18414275 10.76142589 6.90944127
0.00016305 -0.00015841 0.00003974
0.00215386 -0.00711593 -0.02437569
-3.08514446 1.03970266 -23.95628673
0.00020477 -0.00007684 -0.00030392
0.04263588 -0.02505337 0.01479869
-13.51993056 8.68029830 8.75754046
0.00025734 -0.00021044 0.00025979
-0.00913389 -0.00740828 -0.00425200
-13.65423987 5.96216602 -3.53231173
-0.00015773 -0.00024230 -0.00021285
0.00791286 -0.00765143 0.01760712
-2.53391745 -15.47301362 20.53336520
-0.00044348 -0.00012259 0.00003428
-0.03096102 0.00350566 0.01028912
-5.93263964 7.94258816 -7.87914146
0.00019016 0.00041187 0.00008365
-0.00350281 -0.02674192 0.01116901
-19.57328654 30.26332752 0.87586208
0.00019408 -0.00013270 -0.00009555
0.01340673 0.04492296 0.00398722
9.87695251 3.80082904 7.93879140
0.00010796 -0.00014836 -0.00009060
-0.01747012 -0.00430682 -0.02856466
7.26767401 16.19235858 -11.55800061
-0.00001486 0.00013077 0.00011274
0.00538403 -0.01892767 -0.01351656
13.50013631 4.78255005 -1.26952029
-0.00011099 -0.00054975 -0.00000964
0.02165080 -0.00928416 0.00274164
-6.01226255 11.68913989 -1.75879759
0.00030937 0.00009906 0.00057531
0.02960478 -0.01201030 -0.01151090
7.70135449 12.52482162 5.26618768
-0.00026651 0.00007615 -0.00003273
-0.04858390 0.02045330 0.02576022
21.35572744 -11.86907459 -9.41403080
-0.00039714 0.00024002 0.00019480
0.01082288 0.02733654 -0.01987564
19.69294042 -5.80640312 -0.84702533
-0.00023972 0.00024887 0.00028658
0.01598536 0.01107036 0.00064902
15.06175276 8.02187153 8.96721826
0.00048603 -0.00002039 0.00044047
0.00584889 -0.00542159 0.02913794
3.82588558 -13.76382870 16.35704055
-0.00008930 0.00003836 -0.00001882
-0.01408638 -0.02425699 0.01606983
-2.57902001 -2.24551351 -13.55134968
0.00007231 0.00022626 0.00019332
-0.03271654 -0.02035321 0.01042671
15.49914070 -7.42891952 -13.17333888
-0.00013781 -0.00003172 -0.00003123
-0.03110819 0.01748807 0.01061976
9.83652965 -3.82559129 6.52409537
0.00022637 -0.00022114 -0.00036185
0.03613185 -0.00918202 0.03165586
-19.43128782 1.40395118 24.83005534
-0.00020204 -0.00012881 0.00001829
0.01657228 0.02007108 0.01012152
24.05863249 -1.04693788 -7.35634423
-0.00027042 0.00014478 -0.00004130
-0.01360072 0.01778453 -0.00360418
11.65123881 -10.30514614 -11.36127064
0.00008214 0.00041089 -0.00008212
0.00602056 0.00970452 -0.01190049
-8.96434676 -10.65246500 16.29017661
-0.00036781 0.00020776 -0.00034717
-0.02945580 0.00493200 -0.00707938
7.08348898 1.58073070 -27.93471793
0.00015766 -0.00012279 -0.00006080
-0.00152305 -0.01697535 -0.02132586
12.59908951 18.51462671 12.75926239
-0.00018625 -0.00032503 -0.00024033
0.00513945 -0.01189471 -0.01428740
26.05531893 7.54882601 -11.05697037
0.00021552 -0.00001257 0.00005069
0.00877553 -0.00141085 0.00011111
5.03516874 -29.84715063 -4.82182650
-0.00038386 0.00025535 0.00045233
-0.00147664 -0.00035363 0.00257369
3.85657913 -30.00187546 -2.08832753
-0.00027632 -0.00045813 0.00018594
0.01047034 -0.01749887 -0.01196723
-10.03434687 2.55541964 -8.69472769
0.00049521 0.00078584 0.00027188
0.04620684 0.01123595 0.01509076
-11.79690320 2.57898739 -11.01311277
0.00011028 0.00026688 0.00016520
0.00063791 0.00454982 -0.00578390
-36.67931855 3.17103493 3.00863596
-0.00018358 0.00102525 -0.00035387
-0.00584718 0.02674538 -0.01628821
-37.70930177 0.59576314 3.67797389
0.00011469 0.00111563 -0.00114072
-0.01388713 -0.00618947 -0.00058367
-8.86666698 -3.91353366 1.57076355
-0.00087589 0.00029635 0.00050729
0.01465361 -0.00272973 0.01033170
-6.46457183 -5.02591697 2.88309693
-0.00044222 -0.00026119 0.00011832
-0.00379846 0.00069387 -0.00270398
2.99224386 -0.08190401 7.33797780
0.00004481 -0.00000157 0.00079446
-0.01258138 -0.00132047 0.03774943
1.55809981 1.64424443 9.21394043
-0.00062434 -0.00042444 -0.00013424
-0.01606810 0.02211266 0.00467253
-30.02754736 0.17340816 2.92072810
-0.00064968 -0.00015438 0.00045159
0.01353820 -0.02238531 0.00025050
-32.85007370 0.92893156 2.79985418
-0.00063174 -0.00035608 0.00020929
0.02034290 0.01266173 -0.00363226
15.73704461 11.57655999 -18.51533367
0.00074146 0.00074543 -0.00001138
0.01912806 0.03365582 0.00452571
18.32238564 12.57001078 -17.62544458
-0.00049247 0.00047508 -0.00069641
0.03326521 -0.01643640 0.02089043
-2.87137176 6.66983194 6.15308494
0.00008826 -0.00012746 0.00015485
-0.00490449 -0.00419804 0.00231936
-2.75218212 5.07258991 3.84018995
0.00077245 -0.00050743 -0.00064736
0.01051556 -0.00402861 -0.02756037
6.34004820 16.42353418 -8.70763483
0.00081095 0.00023607 0.00128951
0.00158108 0.00461702 0.00124055
7.05219017 18.10397204 -6.32792694
0.00016326 -0.00018918 0.00132906
-0.02753767 -0.02352917 -0.01590062
7.82819263 5.49964544 -22.65025574
-0.00045109 0.00045114 -0.00076525
-0.02276914 -0.00373182 0.01965113
8.59655148 7.04644896 -20.61677957
-0.00040652 0.00061169 0.00122795
-0.00653491 0.00178084 0.02331806
19.14634893 21.09142856 -4.41464323
-0.00113853 -0.00053065 -0.00004292
0.00160469 0.03023491 0.03155437
19.52591162 19.76390888 -6.78235143
0.00010318 -0.00024425 0.00029634
-0.00691988 -0.01168415 0.01238892
1.31082433 12.38286545 -21.06353030
-0.00021343 0.00008202 -0.00125123
0.01680054 0.01261142 0.00131587
0.67505223 14.84913460 -22.30521594
-0.00064168 0.00003994 -0.00010117
-0.00802322 0.00772966 0.00497438
9.85966177 -6.96803246 0.24312004
-0.00032211 0.00027809 0.00099741
0.00681324 -0.00118090 -0.00495789
9.38911774 -4.20868427 -0.32512656
-0.00043786 -0.00006020 0.00111024
-0.03414003 0.03798832 -0.02506579
-18.27124672 -5.63120869 6.62510564
-0.00003475 -0.00074673 -0.00013669
0.01015586 0.01582103 -0.00412924
-18.78083989 -4.98879104 3.95419785
-0.00020329 0.00028905 -0.00032693
0.00526808 0.00513674 -0.00561086
-14.48463271 -0.12394681 19.30298133
-0.00025951 -0.00104062 0.00061492
0.00006540 -0.00874423 -0.00620405
-14.56728046 -0.20400331 22.14034852
-0.00057916 0.00024141 0.00012348
0.00304521 -0.00729720 0.00205412
1.01968436 2.64084657 -2.71067237
-0.00012239 -0.00023067 -0.00085682
0.00101171 -0.00511723 -0.00547411
1.89171899 2.75635600 -5.56191044
-0.00048524 0.00069336 -0.00118554
-0.00226259 -0.01350088 0.00363290
21.26247529 -10.38508827 -6.22901509
-0.00017387 0.00083693 -0.00051178
0.00569725 0.00321488 -0.02534898
22.68807770 -10.04893121 -3.74205674
0.00065227 0.00005368 -0.00132726
0.06281589 0.02607500 0.02242953
4.75640083 -10.36808434 6.73027144
-0.00064435 -0.00004563 -0.00013280
-0.03326911 -0.00786421 0.02120821
3.39280780 -11.55986695 9.15783029
-0.00008626 0.00075027 0.00008433
0.00193050 0.00288773 -0.00445222
-2.00581130 -3.40926009 -20.67532944
0.00025982 0.00014111 0.00056762
-0.00244753 -0.00535266 -0.00457367
-3.03600896 -2.08490202 -18.28374040
0.00091248 -0.00008345 0.00050236
0.01589194 0.00816020 -0.02504760
0.91534742 4.75810533 -10.56394122
0.00007732 -0.00050062 -0.00041860
-0.01365014 -0.00491332 0.01020689
-1.08015908 3.21368695 -8.74039741
0.00100878 0.00004082 0.00113397
0.01601655 0.02256849 -0.04954360
-4.08482213 15.83793021 15.71172922
-0.00072276 0.00041244 0.00018052
-0.01690780 -0.02480971 -0.02782547
-6.73334638 15.17428662 14.67840402
0.00004666 0.00007222 -0.00082351
0.01636795 -0.00920677 -0.00301725
-6.58290288 2.09275954 -5.94976516
0.00067281 -0.00000792 0.00040469
0.00615338 -0.00443607 -0.00924146
-5.01781769 1.58787128 -8.52479867
-0.00097808 0.00056164 -0.00054288
-0.01341013 0.01573015 0.01620038
-9.97609289 -0.69796353 -3.73642886
-0.00046396 0.00018050 0.00065320
0.00104162 0.00902174 0.00246446
-9.74605590 2.13138482 -2.83088563
-0.00067368 0.00021168 0.00052322
-0.00969555 0.02524391 0.02251956
3.45343357 28.97603299 4.94110380
0.00067875 0.00053628 0.00010090
-0.00038331 0.00435596 -0.00790808
3.09897679 27.87239619 7.67032356
-0.00012973 0.00104345 0.00020401
-0.00674106 -0.00815323 -0.04617875
8.01467576 -11.11369059 -1.36962164
-0.00111596 -0.00054963 -0.00104298
-0.02292339 -0.00266319 0.00353544
10.67975769 -11.58692470 -0.00902660
-0.00040208 -0.00124570 -0.00027162
-0.01425573 0.00164013 -0.00517000
-5.40473177 -0.06685602 8.74541063
-0.00003886 0.00104215 0.00059178
0.00197875 0.00002203 0.00138917
-8.33800298 0.05183587 9.06379856
-0.00017156 0.00084010 0.00039057
0.01959220 0.00995189 0.00501421
20.10765248 10.73676543 8.68658153
-0.00129884 -0.00067181 -0.00054017
-0.00778970 -0.00165602 0.03123521
21.99610089 10.74197672 6.68494317
-0.00164428 -0.00000715 0.00004583
0.01132084 0.00589166 -0.00511364
-2.98896767 -0.18226404 -22.51372288
-0.00028195 -0.00036320 0.00107938
0.00180691 0.01694517 -0.00808324
-4.76576607 1.51426688 -24.01492985
-0.00129217 0.00077387 0.00017230
-0.04374161 0.01275313 -0.00391556
-12.35854587 9.92529753 9.54999661
-0.00001356 -0.00065620 -0.00010424
0.00009495 -0.00323205 0.00227596
-13.63518664 9.29323889 7.04091407
-0.00080968 -0.00038723 -0.00023662
-0.00337931 0.00130391 0.00351041
-14.85921509 4.93165528 -4.39671675
-0.00038843 -0.00003012 -0.00031890
-0.00344920 -0.01495021 -0.01130327
-13.61444419 7.51067619 -4.41655744
0.00008865 0.00008911 -0.00110980
-0.00137078 0.02061839 -0.00638773
-4.34711932 -15.86721145 20.51065008
0.00029811 -0.00057348 0.00055829
0.01245821 0.00229018 0.00442316
-1.91396624 -16.71238230 19.38064974
-0.00047229 0.00023920 -0.00038767
0.01116989 -0.00518062 -0.00887609
-5.60723614 6.14030509 -7.45448125
-0.00085812 -0.00020742 0.00026200
0.00127151 0.01098764 -0.00928727
-7.35635338 8.30294918 -6.75700826
0.00034359 0.00003642 0.00034433
0.00590146 0.00837996 -0.01019849
-20.77515668 28.99986628 1.04912501
0.00040068 -0.00031533 0.00022559
-0.02299479 -0.02982047 -0.00450550
-18.02920397 29.58939216 0.21136309
-0.00007070 0.00009008 -0.00030492
0.00274445 -0.00995020 0.00509757
9.10701275 2.70920886 6.53502401
-0.00039515 0.00012625 0.00008845
0.01514484 0.03223487 0.03094407
9.22731352 5.62492960 7.92664066
0.00029788 0.00070604 0.00082611
0.01007571 -0.03157528 0.00217482
7.71142854 17.77304962 -12.33928717
0.00033805 0.00047773 -0.00028562
0.00661123 -0.00068654 -0.00071212
8.41471630 14.94602640 -12.33893632
-0.00013381 0.00032562 -0.00004112
-0.01096866 0.01385332 0.01238831
12.20896643 6.03259948 -1.20196033
-0.00041857 0.00094338 -0.00004289
-0.00584299 0.00318097 0.00779337
13.58175468 3.71766309 0.28330119
-0.00046658 0.00012142 -0.00022279
-0.00882353 0.01411336 -0.00589538
-4.63555650 10.44993272 -1.85990331
-0.00078342 0.00016079 -0.00038424
0.01033839 0.01607191 -0.01532322
-6.90006630 10.79434731 -0.51165246
0.00018460 0.00054164 0.00034625
-0.03080610 -0.00326189 0.02582581
7.52426845 14.32585781 5.09194594
0.00058630 -0.00101852 0.00054423
0.00195671 0.00375898 -0.00208174
9.15936547 12.01558010 4.46569572
0.00011981 -0.00009370 0.00062334
0.04769839 -0.01602841 -0.02959736
20.15532320 -13.03327641 -8.80434797
-0.00089413 -0.00031731 0.00013303
-0.01758623 -0.01974921 0.00970019
22.99153983 -12.64832047 -9.50463822
-0.00196512 -0.00021349 -0.00117176
-0.00208677 -0.00538711 0.00180866
19.60802247 -4.97183360 -2.46409574
-0.00048479 0.00007553 0.00065457
0.00167084 0.00985014 -0.00823766
18.33330228 -6.96622425 -0.96230387
0.00055703 -0.00068905 0.00117990
-0.01622015 -0.02244798 0.00536538
13.91800014 9.41248350 9.28146725
-0.00043121 -0.00041857 0.00038383
-0.00206251 -0.00093493 -0.00442269
15.49919476 7.57431757 10.75542303
0.00089078 -0.00016549 -0.00023858
-0.00147603 0.00537322 -0.01987842
3.04706334 -15.13974066 17.40357746
0.00019606 -0.00125034 -0.00018182
0.00961900 0.01546540 -0.01745986
3.16716231 -12.26174842 17.18148604
0.00037196 0.00053170 -0.00076959
0.00732289 0.00131945 -0.00501206
-2.73024700 -3.77913276 -12.51811256
-0.00029362 -0.00020299 -0.00010522
0.00498741 0.01455113 -0.01303933
-0.85697813 -1.97889113 -13.96113436
-0.00049516 -0.00040129 -0.00082524
0.02381973 0.00469302 0.00411873
15.75036767 -7.50143502 -14.94835259
-0.00035191 -0.00053257 0.00004028
0.00819492 -0.00742156 -0.02380541
16.89830632 -8.16295370 -12.36190183
0.00082965 0.00033571 -0.00035014
0.02083586 -0.01083679 0.01179746
8.34369323 -3.27194080 5.79065192
0.00031158 0.00073160 -0.00090594
-0.03140812 0.00574617 -0.02693893
10.93121975 -4.61059023 5.30915743
0.00046211 0.00025525 0.00079150
-0.00291515 0.00576279 -0.00900674
-20.73467738 0.22957706 25.13149824
0.00113340 -0.00063966 -0.00097640
-0.02247782 -0.01775843 -0.00149658
-19.65908713 2.73654141 26.13389861
-0.00045441 0.00013246 0.00007906
0.00358585 -0.00691645 -0.01249012
25.05062774 -2.51610325 -7.57985299
-0.00041760 0.00051616 0.00026501
0.02294430 -0.02988036 0.01256861
23.67708894 -0.77332825 -9.10614928
0.00060114 0.00076685 0.00023054
-0.00452407 0.01258762 -0.01135211
12.12588899 -10.71046535 -9.63428960
0.00091863 -0.00106144 -0.00009326
0.00644664 0.00966234 0.00251328
12.92090264 -9.15760076 -12.19972061
-0.00026700 0.00067141 0.00026699
-0.00645420 -0.00975481 0.01825288
-7.50023755 -10.75864972 17.31404146
0.00030871 0.00011075 -0.00000263
0.03197229 0.00059364 0.00929531
-10.07094807 -10.07024337 17.63172657
0.00018154 0.00080984 -0.00067283
-0.01475405 -0.00390994 -0.00556858
8.22340005 1.19435568 -29.43284472
0.00061109 -0.00017076 -0.00020347
-0.00606247 0.01757243 0.01997124
5.45492124 0.88255432 -28.41316429
0.00059446 0.00047191 -0.00001875
0.00196507 0.00038329 0.00179882
13.94337268 19.30116284 13.64814287
0.00026135 0.00034084 0.00033932
0.00687089 0.01254280 0.01444938
13.57115787 17.72727079 11.40886791
0.00127584 -0.00043335 -0.00035064
-0.01031864 -0.00264394 0.00044113
27.81637220 7.82159987 -11.56118620
-0.00059578 -0.00000457 -0.00033968
0.00053050 -0.00123427 -0.00791384
26.20095726 7.67694152 -9.22357814
0.00031347 0.00016243 0.00049370
-0.00374858 0.00120499 0.01171638
-7.80791756 4.72915319 6.18570692
0.00009042 0.00000312 0.00013248
-0.00352334 -0.00260068 0.00227580
-10.23426431 9.09908522 3.11137935
0.00031532 -0.00011428 0.00026313
0.00814560 -0.00121993 0.00486527
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.07626869
0.30744182
409.65080762
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0598110465
ExchangeOperator: pair fraction: ispin=0: 0.1494645754
ExchangeOperator: bisection time: 1.696 s
total exchange = -52.4060932729 (a.u.)
total exchange computation time: 2.8544068336 s
-154.2104953098
-931.38616705
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0598110465
ExchangeOperator: pair fraction: ispin=0: 0.1494645754
ExchangeOperator: bisection time: 1.696 s
total exchange = -52.4051990788 (a.u.)
total exchange computation time: 2.8535060883 s
-154.2184115126
Anderson extrapolation: theta=1.3478873783 (1.3478873783)
-931.38640554
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0598110465
ExchangeOperator: pair fraction: ispin=0: 0.1494645754
ExchangeOperator: bisection time: 1.693 s
total exchange = -52.4038769158 (a.u.)
total exchange computation time: 2.8532788754 s
-154.2297698140
Anderson extrapolation: theta=0.0514781520 (0.0514781520)
-931.38654710
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0598110465
ExchangeOperator: pair fraction: ispin=0: 0.1494645754
ExchangeOperator: bisection time: 1.695 s
total exchange = -52.4037169020 (a.u.)
total exchange computation time: 2.8531489372 s
-154.2309527878
Anderson extrapolation: theta=1.9093379704 (1.9093379704)
-931.38655224
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0598110465
ExchangeOperator: pair fraction: ispin=0: 0.1494645754
ExchangeOperator: bisection time: 1.695 s
total exchange = -52.4033818488 (a.u.)
total exchange computation time: 2.8536691666 s
-154.2333647855
Anderson extrapolation: theta=0.2183206471 (0.2183206471)
-931.38655744
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0598110465
ExchangeOperator: pair fraction: ispin=0: 0.1494645754
ExchangeOperator: bisection time: 1.696 s
total exchange = -52.4032981295 (a.u.)
total exchange computation time: 2.8538720608 s
-154.2339129912
Anderson extrapolation: theta=1.8812805258 (1.8812805258)
-931.38655843
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0598110465
ExchangeOperator: pair fraction: ispin=0: 0.1494645754
ExchangeOperator: bisection time: 1.694 s
total exchange = -52.4031600653 (a.u.)
total exchange computation time: 2.8521637917 s
-154.2347581940
Anderson extrapolation: theta=0.2858704180 (0.2858704180)
-931.38655966
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0598110465
ExchangeOperator: pair fraction: ispin=0: 0.1494645754
ExchangeOperator: bisection time: 1.695 s
total exchange = -52.4031417762 (a.u.)
total exchange computation time: 2.8537089825 s
-154.2348104515
Anderson extrapolation: theta=1.3231658153 (1.3231658153)
-931.38655997
20.964965 27.062631 -166.427381
560.301720 1074.609096 -407.497349
581.266684 1101.671726 -573.924730
1371.474078
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0598110465
ExchangeOperator: pair fraction: ispin=0: 0.1494645754
ExchangeOperator: bisection time: 1.696 s
total exchange = -52.4031349040 (a.u.)
total exchange computation time: 2.8566079140 s
679.19186209
-1084.91531616
89.85462331
-388.24824427
-174.86635031
78.89158004
551.60419304
0.00000000
-931.38656024
4.54931037 -31.04711369 -3.48854210
-0.00002820 -0.00027975 -0.00002538
-0.00770909 0.01414643 0.01015542
-11.62591345 2.14935613 -9.24057555
0.00017106 0.00004502 0.00015991
-0.04396692 -0.01430210 -0.01267665
-36.19058098 1.43443165 3.19364958
0.00002930 -0.00016118 0.00031854
0.01876658 -0.01449214 0.01280129
-7.37950085 -3.45704975 2.64706714
0.00020977 0.00003759 0.00006794
-0.01475991 -0.00502233 -0.00658500
2.24036442 -0.00042050 9.09499927
0.00004400 -0.00024396 0.00003243
0.02674153 -0.02539960 -0.04029835
-31.08218198 1.57911017 2.55359125
0.00005262 0.00036010 -0.00011398
-0.03589779 0.00585472 0.01044409
16.82438760 13.14813912 -18.37072001
-0.00021883 -0.00017723 -0.00038549
-0.05739979 -0.00355479 -0.01924739
-3.45673925 5.05648304 5.46512360
-0.00006378 -0.00010154 -0.00010329
-0.00124299 0.01131249 0.01463618
5.65224101 17.03690781 -7.07628524
-0.00024280 -0.00009842 -0.00032528
0.02460839 0.02814942 0.02889570
7.24488145 5.79386117 -20.80923873
0.00015406 0.00021639 0.00015449
0.03043570 0.01123117 -0.04582993
18.61950620 19.56631740 -5.17546146
0.00015489 -0.00005274 -0.00020963
0.00374558 -0.03150516 -0.04367921
1.98163873 14.12224906 -21.24375715
0.00012386 0.00034747 -0.00001381
-0.01521676 -0.01582288 -0.00166036
10.55361299 -5.28045326 0.41817671
0.00019211 -0.00005023 -0.00002517
0.02803648 -0.03605382 0.02508572
-17.74095480 -4.37650815 5.34722755
0.00061203 -0.00046408 0.00003614
-0.01880701 -0.02537442 0.00763833
-14.30693896 -1.32601002 20.70633900
-0.00007420 0.00018876 0.00001635
-0.00305452 0.00943037 0.00796409
1.60565036 3.72081295 -4.05891022
0.00000535 -0.00008026 -0.00004625
0.00380647 0.01737868 -0.00300198
21.22956651 -10.58130357 -4.45392133
-0.00022243 0.00004358 0.00026228
-0.06511423 -0.02064001 0.00057950
3.07981578 -10.53437260 7.66432632
0.00017897 -0.00025263 -0.00034020
0.02622984 0.00568017 -0.01991714
-1.98605115 -1.78032680 -19.82715585
-0.00019429 -0.00011393 -0.00040525
-0.01032164 -0.00165740 0.03476510
-0.66187935 3.77349287 -10.56946789
-0.00038289 0.00029983 -0.00033268
-0.00107551 -0.01271105 0.04769473
-4.93979716 14.75078134 14.39145509
0.00009469 0.00021957 -0.00016176
0.00169985 0.03443092 0.02688005
-5.28347120 2.78355748 -7.10852137
0.00017708 0.00002573 0.00030312
0.00257982 -0.01299718 -0.00976970
-9.21099564 0.93882706 -4.03211708
0.00025324 0.00011366 -0.00022025
0.01189469 -0.03739297 -0.02981208
2.85139690 27.47970093 5.78496521
-0.00009374 -0.00010543 -0.00002850
0.00944004 0.01699614 0.05694977
9.76691000 -10.83347857 -1.46077991
-0.00025922 0.00009906 0.00002319
0.02405724 0.01017568 -0.00478392
-6.76892595 1.04268009 9.27327113
-0.00000530 -0.00018266 -0.00012480
-0.02383464 -0.00225385 -0.00239635
20.18659685 10.75902233 6.90994334
0.00016059 -0.00016196 0.00002663
-0.01172594 -0.00669128 -0.02661489
-3.08190852 1.03845341 -23.96078847
0.00022251 -0.00008951 -0.00029524
0.02635145 -0.02422862 0.01896850
-13.51610570 8.67711319 8.76142084
0.00025194 -0.00021473 0.00025634
-0.01187721 -0.00929209 -0.00916041
-13.65657529 5.95850196 -3.53543651
-0.00015383 -0.00024480 -0.00020472
0.00724924 -0.00205342 0.01398832
-2.54068906 -15.47483892 20.53391903
-0.00045820 -0.00012066 0.00003948
-0.02630356 0.00397959 0.00995622
-5.92980079 7.94866312 -7.87784357
0.00018838 0.00039732 0.00008966
-0.00340206 -0.02987601 0.01218623
-19.57032358 30.26151033 0.87444419
0.00020038 -0.00010963 -0.00009334
0.01109521 0.04477630 0.00460853
9.87850447 3.79858701 7.93732221
0.00009889 -0.00014969 -0.00010493
-0.01778905 -0.00087092 -0.02717650
7.26747182 16.19424705 -11.55636168
-0.00001192 0.00012223 0.00010535
0.00605536 -0.01424759 -0.01522808
13.49855505 4.77426805 -1.26965434
-0.00010191 -0.00055203 -0.00000893
0.01362463 0.00038861 0.00002680
-6.00750775 11.69057950 -1.75021241
0.00032374 0.00009411 0.00056893
0.02625749 -0.00724293 -0.01329732
7.69716940 12.52604277 5.26579615
-0.00029067 0.00008394 -0.00001968
-0.04535335 0.00985486 0.02498136
21.34981203 -11.86536888 -9.41118553
-0.00039487 0.00025387 0.00018533
-0.00198633 0.02651376 -0.01694502
19.68940623 -5.80262740 -0.84272413
-0.00023139 0.00025416 0.00028767
0.01642565 0.00951812 0.00360084
15.06906583 8.02154482 8.97393767
0.00048859 -0.00002270 0.00045461
0.00408976 -0.00356034 0.02584728
3.82449176 -13.76334693 16.35682026
-0.00009654 0.00002486 -0.00001052
-0.01405893 -0.02822441 0.01619382
-2.57806152 -2.24219819 -13.54840959
0.00005466 0.00021550 0.00019901
-0.03591308 -0.02148499 0.01167486
15.49695352 -7.42932784 -13.17376644
-0.00015267 -0.00002322 -0.00002525
-0.02667886 0.01554084 0.01265493
9.84006462 -3.82894382 6.51878970
0.00024267 -0.00022474 -0.00034487
0.02725947 -0.00481104 0.03437621
-19.43425446 1.40209651 24.83036875
-0.00019215 -0.00011700 0.00002331
0.02189372 0.02583454 0.00938249
24.05452370 -1.04469762 -7.35697761
-0.00027770 0.00015449 -0.00004242
-0.01468538 0.01998028 -0.00077027
11.65249416 -10.29894541 -11.36254828
0.00008522 0.00041529 -0.00008713
0.00595819 0.00741485 -0.00761477
-8.96997756 -10.64932961 16.28494170
-0.00038093 0.00020995 -0.00035030
-0.02156155 0.00359577 -0.00506646
7.08584793 1.57882339 -27.93571220
0.00015820 -0.00013113 -0.00007178
0.00363545 -0.01546142 -0.02138746
12.59631559 18.50970537 12.75560229
-0.00018118 -0.00033091 -0.00024781
0.01459260 -0.01097419 -0.01477400
26.05858564 7.54863207 -11.05620959
0.00021890 -0.00001341 0.00005180
0.00434739 -0.00187854 0.00422048
5.02936553 -29.84333117 -4.81496272
-0.00038922 0.00025393 0.00046103
-0.00114659 -0.00034151 0.00168525
3.85275513 -30.00928365 -2.08590520
-0.00023344 -0.00053053 0.00013700
0.01052006 -0.01793936 -0.01198948
-10.02550281 2.56755149 -8.69018706
0.00067199 0.00082909 0.00032977
0.04032990 0.00993690 0.01324561
-11.79522952 2.58313000 -11.01081204
0.00011269 0.00028512 0.00014210
0.00054499 0.00437922 -0.00552033
-36.68225139 3.18723324 3.00282875
-0.00020078 0.00111714 -0.00041933
-0.00257371 0.01823354 -0.01575469
-37.70800691 0.61230788 3.66084514
0.00004267 0.00108087 -0.00113783
-0.02137019 -0.01082427 0.00200166
-8.87935635 -3.90917209 1.57868948
-0.00081073 0.00028599 0.00055248
0.01724226 -0.00233934 0.01178735
-6.47132152 -5.02981352 2.88478887
-0.00045723 -0.00025907 0.00010726
-0.00354782 0.00034093 -0.00270784
2.99253048 -0.08196808 7.35105141
-0.00000286 -0.00000762 0.00094030
-0.01075532 -0.00163853 0.03364406
1.54824234 1.63855539 9.21206996
-0.00068924 -0.00033634 -0.00011528
-0.01569942 0.02101564 0.00460960
-30.03687769 0.17040650 2.92750963
-0.00059432 -0.00024340 0.00045198
0.01356067 -0.02119136 -0.00005963
-32.85892641 0.92397829 2.80288223
-0.00054029 -0.00029929 0.00019280
0.02442226 0.01513849 -0.00444177
15.74875273 11.58877279 -18.51536562
0.00081027 0.00087012 0.00000547
0.01455228 0.02737793 0.00372066
18.31601797 12.57663339 -17.63525057
-0.00034824 0.00040556 -0.00060748
0.03733686 -0.01759557 0.02264147
-2.87019820 6.66779143 6.15547881
0.00006802 -0.00014617 0.00016252
-0.00500364 -0.00496074 0.00143362
-2.74027310 5.06485506 3.82963504
0.00080907 -0.00052326 -0.00074428
0.00740847 -0.00372009 -0.01988477
6.35226086 16.42721668 -8.68825421
0.00082142 0.00025011 0.00128201
0.00354516 0.00225858 -0.00490843
7.05379522 18.10041339 -6.30847829
0.00004364 -0.00028992 0.00125959
-0.03101477 -0.02578441 -0.01810569
7.82072852 5.50629824 -22.66113231
-0.00054293 0.00043852 -0.00067874
-0.02218428 -0.00244749 0.02269776
8.59025338 7.05567887 -20.59764575
-0.00043267 0.00061736 0.00132045
-0.00626609 0.00099470 0.02195933
19.12932014 21.08439525 -4.41432005
-0.00112867 -0.00039702 0.00009055
0.00322319 0.03517823 0.03377784
19.52724726 19.75988702 -6.77752674
0.00007859 -0.00029038 0.00034151
-0.00511609 -0.01089301 0.00972268
1.30813774 12.38448223 -21.08225840
-0.00014258 0.00013515 -0.00124445
0.01788175 0.01339630 0.00200118
0.66518112 14.84997050 -22.30658099
-0.00066915 0.00007088 -0.00007738
-0.00542230 0.00741768 0.00666649
9.85503890 -6.96389732 0.25792931
-0.00029511 0.00027007 0.00097698
0.00640586 -0.00274517 -0.00504268
9.38150368 -4.20842319 -0.30924107
-0.00057682 0.00009450 0.00100889
-0.03388396 0.03773703 -0.02454377
-18.27145673 -5.64192487 6.62292875
0.00000801 -0.00068024 -0.00015561
0.01077462 0.01672824 -0.00513327
-18.78372779 -4.98429788 3.94912191
-0.00017739 0.00031192 -0.00034404
0.00740957 0.00605951 -0.00276278
-14.48852341 -0.13982412 19.31201499
-0.00026072 -0.00106514 0.00057722
-0.00065509 -0.00325453 -0.01225184
-14.57587458 -0.20060579 22.14226368
-0.00056602 0.00021015 0.00012944
0.00338834 -0.00800274 0.00086388
1.01787953 2.63722964 -2.72369236
-0.00012106 -0.00025645 -0.00087386
-0.00036038 -0.00750191 -0.00286821
1.88437108 2.76634263 -5.57958221
-0.00049565 0.00064163 -0.00116358
-0.00283212 -0.01181878 0.00711532
21.26004181 -10.37243578 -6.23746857
-0.00015298 0.00084718 -0.00060028
0.00453074 0.00180268 -0.01796973
22.69978661 -10.04732693 -3.76127832
0.00090525 0.00015837 -0.00123714
0.06101837 0.02517091 0.02168500
4.74571604 -10.36900980 6.72892929
-0.00077228 -0.00007718 -0.00004968
-0.02934964 -0.00757826 0.01948070
3.39157307 -11.54852442 9.15895882
-0.00007711 0.00076004 0.00006886
0.00254951 0.00189651 -0.00312230
-2.00198894 -3.40730753 -20.66695531
0.00024959 0.00011075 0.00054406
-0.00256342 -0.00950762 -0.00695813
-3.02183472 -2.08590366 -18.27697251
0.00097679 -0.00004963 0.00039882
0.01558666 0.00839048 -0.02563814
0.91608900 4.75044542 -10.56990748
0.00002293 -0.00051947 -0.00037838
-0.01297660 -0.00431015 0.00948429
-1.06453663 3.21499074 -8.72490600
0.00107318 0.00013468 0.00092146
0.01550939 0.02338100 -0.05448456
-4.09618162 15.84335657 15.71358429
-0.00079035 0.00031168 0.00006744
-0.01617758 -0.02451407 -0.02752326
-6.73214486 15.17508781 14.66595893
0.00011166 0.00003481 -0.00083569
0.01544592 -0.00910451 -0.00294313
-6.57262217 2.09250478 -5.94397800
0.00069518 -0.00002724 0.00036903
0.00479555 -0.00502096 -0.00821268
-5.03289986 1.59677785 -8.53244550
-0.00103206 0.00062650 -0.00047553
-0.01301268 0.01602054 0.01676770
-9.98302044 -0.69497958 -3.72655530
-0.00045646 0.00022095 0.00066075
0.00263275 0.01077737 0.00122986
-9.75645818 2.13533351 -2.82234729
-0.00070729 0.00030553 0.00060346
-0.00675673 0.02070050 0.01675741
3.46360306 28.98421068 4.94237504
0.00067294 0.00054416 0.00007232
-0.00246019 -0.00049679 -0.00608182
3.09682431 27.88779809 7.67196864
-0.00015820 0.00100707 0.00001306
-0.00719672 -0.00965508 -0.04729368
7.99723391 -11.12201664 -1.38515796
-0.00119276 -0.00055814 -0.00102924
-0.01466818 -0.00150479 0.00319010
10.67328972 -11.60555998 -0.01325928
-0.00046210 -0.00123728 -0.00029459
-0.01512524 0.00248366 -0.00607382
-5.40525397 -0.05122314 8.75432992
-0.00002203 0.00103206 0.00059277
0.00625715 -0.00496079 -0.00090341
-8.33997609 0.06474233 9.06981075
-0.00009522 0.00087559 0.00040957
0.01777704 0.00742075 0.00428898
20.08793122 10.72663747 8.67943619
-0.00133035 -0.00067894 -0.00040567
-0.00763617 -0.00183354 0.03460295
21.97178355 10.74205007 6.68547389
-0.00157067 0.00001646 0.00002250
0.02471279 0.00566132 -0.00630617
-2.99314162 -0.18719285 -22.49777981
-0.00027495 -0.00028618 0.00103638
0.00162113 0.02075869 -0.01296851
-4.78648905 1.52626569 -24.01246534
-0.00143742 0.00081638 0.00015789
-0.02735921 0.00805519 -0.00313775
-12.35874641 9.91535549 9.54850279
-0.00000888 -0.00066378 -0.00009304
0.00219564 -0.00047990 0.00320326
-13.64743540 9.28747040 7.03747237
-0.00082197 -0.00038334 -0.00021478
-0.00263820 0.00060170 0.00717818
-14.86514721 4.93074540 -4.40184669
-0.00040119 -0.00009087 -0.00036412
-0.00279662 -0.01478836 -0.01083018
-13.61315638 7.51264463 -4.43340016
0.00008294 0.00016146 -0.00112872
-0.00142788 0.01479676 -0.00287586
-4.34226593 -15.87574346 20.51915999
0.00033953 -0.00056571 0.00057650
0.00781855 0.00151210 0.00448862
-1.92070829 -16.70895312 19.37456263
-0.00042650 0.00021874 -0.00042327
0.01124315 -0.00483416 -0.00854585
-5.62006905 6.13753055 -7.45083588
-0.00085171 -0.00015837 0.00022212
0.00186719 0.01301892 -0.01023192
-7.35101875 8.30375228 -6.75215581
0.00036674 0.00007234 0.00030281
0.00543403 0.00920233 -0.01012756
-20.76985113 28.99422260 1.05237085
0.00030833 -0.00043555 0.00020718
-0.02220939 -0.02903026 -0.00450617
-18.03018042 29.59043839 0.20694556
-0.00005668 0.00004831 -0.00028541
0.00412243 -0.01049393 0.00445013
9.10154964 2.71209042 6.53729903
-0.00033387 0.00025702 0.00021332
0.01484943 0.03177581 0.03018114
9.23209044 5.63455262 7.93909890
0.00034048 0.00057132 0.00083410
0.01078066 -0.03436879 0.00174050
7.71670192 17.78019448 -12.34359332
0.00036254 0.00046722 -0.00028458
0.00537645 -0.00445589 0.00122393
8.41237297 14.95133524 -12.33917345
-0.00017711 0.00038029 0.00000855
-0.01022298 0.01290895 0.01192594
12.20250884 6.04684771 -1.20236492
-0.00042691 0.00094129 -0.00001174
0.00175999 -0.00420701 0.00745539
13.57448554 3.71991682 0.27977862
-0.00050189 0.00017506 -0.00024055
-0.00845697 0.01214340 -0.00279513
-4.64699106 10.45283707 -1.86613645
-0.00073265 0.00021863 -0.00044684
0.01451567 0.01224193 -0.01531891
-6.89824129 10.80237191 -0.50566727
0.00005685 0.00052616 0.00045490
-0.03172640 -0.00431296 0.02735632
7.53312293 14.31069515 5.10004559
0.00059189 -0.00098272 0.00053429
0.00078097 0.01376611 -0.00278301
9.16262431 12.01368341 4.47413885
0.00031115 -0.00015839 0.00050517
0.04596380 -0.01563851 -0.02824536
20.14137243 -13.03864118 -8.80205525
-0.00095778 -0.00038840 0.00016807
-0.01357502 -0.01505076 0.00745157
22.96199911 -12.65168788 -9.52215924
-0.00195542 -0.00024345 -0.00116578
0.00683295 -0.00927723 0.00111788
19.60080185 -4.97039876 -2.45452969
-0.00047934 0.00011737 0.00061578
0.00099563 0.01062910 -0.01074675
18.34116069 -6.97724794 -0.94444088
0.00049122 -0.00077989 0.00120055
-0.01599295 -0.02201465 0.00474056
13.91146880 9.40617635 9.28708924
-0.00043681 -0.00042506 0.00036590
-0.00067910 -0.00224563 -0.00435712
15.51251130 7.57199981 10.75123517
0.00088536 -0.00014422 -0.00031368
-0.00117713 0.00503974 -0.01688340
3.05029906 -15.15802183 17.40031511
0.00023703 -0.00117804 -0.00025571
0.01043172 0.01992424 -0.01870803
3.17296608 -12.25373253 17.16978858
0.00040018 0.00053556 -0.00078767
0.00649427 0.00056981 -0.00383674
-2.73449848 -3.78173171 -12.52009045
-0.00027235 -0.00014122 -0.00015988
0.00542498 0.01568379 -0.01371766
-0.86367560 -1.98476662 -13.97338671
-0.00039204 -0.00038221 -0.00080955
0.02665888 0.00464301 0.00356184
15.74534020 -7.50965101 -14.94847779
-0.00031907 -0.00056233 -0.00005760
0.00787732 -0.00714525 -0.02410891
16.91138958 -8.15825017 -12.36679245
0.00090670 0.00029550 -0.00030572
0.01687975 -0.00884411 0.00994823
8.34740444 -3.26079068 5.77623735
0.00019357 0.00075152 -0.00101178
-0.02635501 0.00400594 -0.02487349
10.93806200 -4.60658492 5.32075389
0.00045850 0.00027303 0.00074482
0.00115156 0.00294167 -0.01384395
-20.71836521 0.21943799 25.11680643
0.00103172 -0.00072027 -0.00097929
-0.02729185 -0.02170208 0.00007999
-19.66579339 2.73831642 26.13470181
-0.00044039 0.00010075 0.00002651
0.00327874 -0.00860775 -0.01323410
25.04506678 -2.50927643 -7.57549273
-0.00032087 0.00038928 0.00031521
0.02440907 -0.03222836 0.01200632
23.68596741 -0.76143973 -9.10303900
0.00058165 0.00081843 0.00017901
-0.00501780 0.01265867 -0.01387446
12.13986600 -10.72609087 -9.63561148
0.00094267 -0.00101920 -0.00009025
0.00531848 0.01101384 -0.00104246
12.91669993 -9.14782854 -12.19515643
-0.00029120 0.00063231 0.00034044
-0.00539221 -0.00938691 0.01770010
-7.49462711 -10.75697033 17.31428692
0.00042721 0.00011413 0.00002766
0.02603155 0.00106134 0.00553086
-10.06867708 -10.05821551 17.62146353
0.00011788 0.00079570 -0.00069135
-0.01640943 -0.00301180 -0.00350115
8.23238060 1.19233279 -29.43528485
0.00058384 -0.00009821 -0.00011933
-0.00727386 0.01794178 0.02121633
5.46389839 0.88964466 -28.41339046
0.00059418 0.00046974 -0.00001406
-0.00210503 -0.00144287 0.00049904
13.94750345 19.30665973 13.65367550
0.00027712 0.00038501 0.00039043
0.00084751 0.00908280 0.01056806
13.58997920 17.72068957 11.40362186
0.00122672 -0.00043884 -0.00033990
-0.01372401 -0.00004536 0.00481691
27.80745176 7.82149352 -11.56652388
-0.00058506 -0.00000838 -0.00037335
0.00471758 -0.00063233 -0.00857040
26.20554444 7.67941493 -9.21581359
0.00029779 0.00016741 0.00053505
-0.00392627 0.00123282 0.00852163
-7.80657070 4.72919308 6.18770027
0.00008915 0.00000219 0.00013327
-0.00360357 -0.00262692 0.00210792
-10.22952036 9.09736888 3.11533473
0.00031717 -0.00011456 0.00026423
0.00783092 -0.00120124 0.00464764
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.07641651
0.31014373
413.25096912
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0596656977
ExchangeOperator: pair fraction: ispin=0: 0.1487723094
ExchangeOperator: bisection time: 1.696 s
total exchange = -52.4007092510 (a.u.)
total exchange computation time: 2.9593281746 s
-154.1905123190
-931.38809973
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0596656977
ExchangeOperator: pair fraction: ispin=0: 0.1487723094
ExchangeOperator: bisection time: 1.694 s
total exchange = -52.3998868953 (a.u.)
total exchange computation time: 2.9605400562 s
-154.1978007888
Anderson extrapolation: theta=1.3612181778 (1.3612181778)
-931.38833288
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0596656977
ExchangeOperator: pair fraction: ispin=0: 0.1487723094
ExchangeOperator: bisection time: 1.694 s
total exchange = -52.3986693548 (a.u.)
total exchange computation time: 2.9613399506 s
-154.2083324566
Anderson extrapolation: theta=0.0563957634 (0.0563957634)
-931.38847347
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0596656977
ExchangeOperator: pair fraction: ispin=0: 0.1487723094
ExchangeOperator: bisection time: 1.695 s
total exchange = -52.3985263984 (a.u.)
total exchange computation time: 2.9601540565 s
-154.2094419504
Anderson extrapolation: theta=1.9805413416 (1.9805413416)
-931.38847913
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0596656977
ExchangeOperator: pair fraction: ispin=0: 0.1487723094
ExchangeOperator: bisection time: 1.697 s
total exchange = -52.3982279565 (a.u.)
total exchange computation time: 2.9627211094 s
-154.2117067043
Anderson extrapolation: theta=0.2220671129 (0.2220671129)
-931.38848521
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0596656977
ExchangeOperator: pair fraction: ispin=0: 0.1487723094
ExchangeOperator: bisection time: 1.694 s
total exchange = -52.3981628693 (a.u.)
total exchange computation time: 2.9606389999 s
-154.2121572477
Anderson extrapolation: theta=1.8113122734 (1.8113122734)
-931.38848639
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0596656977
ExchangeOperator: pair fraction: ispin=0: 0.1487723094
ExchangeOperator: bisection time: 1.693 s
total exchange = -52.3980692864 (a.u.)
total exchange computation time: 2.9606060982 s
-154.2127523681
Anderson extrapolation: theta=0.2812792630 (0.2812792630)
-931.38848778
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0596656977
ExchangeOperator: pair fraction: ispin=0: 0.1487723094
ExchangeOperator: bisection time: 1.697 s
total exchange = -52.3980665370 (a.u.)
total exchange computation time: 2.9590950012 s
-154.2127120710
Anderson extrapolation: theta=1.3513494175 (1.3513494175)
-931.38848813
20.933143 27.100713 -166.357549
560.222500 1074.646753 -407.535936
581.155643 1101.747466 -573.893485
1371.474787
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0596656977
ExchangeOperator: pair fraction: ispin=0: 0.1487723094
ExchangeOperator: bisection time: 1.693 s
total exchange = -52.3980793744 (a.u.)
total exchange computation time: 2.9020318985 s
679.11392287
-1084.74769149
89.85963945
-388.36335762
-174.85292225
78.79761253
551.60419304
0.00000000
-931.38848842
4.54885759 -31.05125541 -3.48888366
-0.00003224 -0.00027249 -0.00002007
-0.00799974 0.01408779 0.01048537
-11.62351720 2.14997623 -9.23822577
0.00015041 0.00003816 0.00015389
-0.03633115 -0.01236604 -0.01075216
-36.19006904 1.43195806 3.19847711
0.00003993 -0.00016530 0.00032431
0.02255032 -0.00152743 0.00963159
-7.37641116 -3.45650526 2.64806078
0.00020151 0.00003503 0.00006424
-0.01736416 -0.00493211 -0.00778641
2.24112755 -0.00417789 9.09533031
0.00005696 -0.00025633 0.00001310
0.02365521 -0.02268568 -0.03487792
-31.08153109 1.58453422 2.55192176
0.00003348 0.00036202 -0.00010823
-0.03855309 0.00161589 0.01191552
16.82088374 13.14546697 -18.37657665
-0.00024749 -0.00017702 -0.00039539
-0.05404708 0.00436453 -0.01923900
-3.45770080 5.05500350 5.46363068
-0.00006355 -0.00009570 -0.00009764
0.00214669 0.01142396 0.00735986
5.64869390 17.03554015 -7.08105305
-0.00023009 -0.00008289 -0.00030827
0.02483614 0.03223288 0.03728718
7.24730980 5.79715032 -20.80709815
0.00016951 0.00022194 0.00013067
0.02963393 0.01034856 -0.04682139
18.62184397 19.56540472 -5.17877445
0.00015601 -0.00007004 -0.00023164
0.00061828 -0.03576266 -0.04188035
1.98343793 14.12740014 -21.24397076
0.00011513 0.00033935 -0.00001533
-0.01874406 -0.01575424 -0.00423459
10.55660286 -5.28134579 0.41789598
0.00020612 -0.00006786 -0.00001270
0.02644264 -0.03251860 0.02340113
-17.73184695 -4.38356719 5.34779911
0.00060172 -0.00047745 0.00003951
-0.02126206 -0.02663130 0.00547989
-14.30806372 -1.32314229 20.70661495
-0.00007562 0.00019229 0.00002242
-0.00248172 0.00431613 0.01565215
1.60574522 3.71967605 -4.05961554
0.00000783 -0.00007115 -0.00004937
0.00583822 0.01805059 -0.00913660
21.22597895 -10.58072947 -4.44998484
-0.00025432 0.00003388 0.00026122
-0.05889100 -0.01707651 -0.00471464
3.08260156 -10.53814009 7.65914648
0.00019103 -0.00024954 -0.00035015
0.02064849 0.00633369 -0.01876377
-1.98900538 -1.78204220 -19.83310046
-0.00019940 -0.00011375 -0.00038680
-0.00954171 0.00237669 0.03695665
-0.66762687 3.77794130 -10.57427410
-0.00038348 0.00029300 -0.00030701
-0.00120707 -0.01385868 0.05210453
-4.93837030 14.75420766 14.38913234
0.00009561 0.00023701 -0.00014822
0.00188940 0.03340066 0.02577709
-5.28080511 2.78389336 -7.10401232
0.00017864 0.00001929 0.00029771
0.00351122 -0.01204583 -0.01123512
-9.20715115 0.94038771 -4.03553582
0.00025816 0.00009529 -0.00023369
0.00725287 -0.03402776 -0.02245670
2.85002724 27.47818506 5.78475745
-0.00008830 -0.00009515 0.00000034
0.01169568 0.02297752 0.05518490
9.76311443 -10.83195345 -1.46045045
-0.00024885 0.00010377 0.00002105
0.01627809 0.00815470 -0.00355757
-6.76909736 1.03993152 9.27138990
-0.00001808 -0.00018181 -0.00012524
-0.02585668 0.00553993 0.00068483
20.18896049 10.75656714 6.91024009
0.00015085 -0.00016530 0.00001277
-0.02616262 -0.00629132 -0.02727772
-3.07846928 1.03701725 -23.96514386
0.00023194 -0.00010158 -0.00028455
0.01034085 -0.02271263 0.02257439
-13.51237247 8.67385640 8.76523055
0.00024512 -0.00022001 0.00025043
-0.01463672 -0.01125871 -0.01380003
-13.65885479 5.95482206 -3.53845336
-0.00015035 -0.00024444 -0.00019857
0.00626920 0.00343004 0.00994704
-2.54766358 -15.47663352 20.53454968
-0.00047036 -0.00011855 0.00004442
-0.02097216 0.00425334 0.00925627
-5.92698818 7.95450761 -7.87645166
0.00018669 0.00038125 0.00009611
-0.00317405 -0.03259231 0.01288780
-19.56727502 30.26003859 0.87306184
0.00020526 -0.00008698 -0.00009078
0.00785075 0.04332003 0.00534663
9.87991919 3.79633826 7.93564336
0.00008983 -0.00014928 -0.00011836
-0.01744407 0.00248097 -0.02504259
7.26731634 16.19602560 -11.55484022
-0.00000875 0.00011618 0.00009717
0.00629911 -0.00930652 -0.01655002
13.49707889 4.76598905 -1.26978818
-0.00009684 -0.00054943 -0.00000970
0.00611603 0.00974862 -0.00300266
-6.00255038 11.69196323 -1.74172981
0.00033616 0.00009150 0.00056191
0.02204870 -0.00290433 -0.01399988
7.69263443 12.52733996 5.26559734
-0.00031263 0.00008603 -0.00000733
-0.04003630 -0.00173881 0.02302932
21.34388131 -11.86145863 -9.40847098
-0.00039924 0.00026721 0.00017746
-0.01502127 0.02539116 -0.01365007
19.68599876 -5.79877824 -0.83839514
-0.00022304 0.00025851 0.00029021
0.01604951 0.00738958 0.00625171
15.07641045 8.02119063 8.98085649
0.00049020 -0.00002402 0.00046691
0.00215941 -0.00157527 0.02197866
3.82298948 -13.76308290 16.35672491
-0.00010366 0.00000948 -0.00000229
-0.01365957 -0.03160104 0.01580799
-2.57738009 -2.23904862 -13.54537943
0.00003569 0.00020435 0.00020517
-0.03785216 -0.02186941 0.01229708
15.49456052 -7.42961627 -13.17409637
-0.00016504 -0.00001581 -0.00001838
-0.02143048 0.01328231 0.01407097
9.84380989 -3.83233347 6.51374923
0.00025405 -0.00022596 -0.00032666
0.01697907 0.00004890 0.03642532
-19.43705219 1.40044114 24.83075453
-0.00017979 -0.00010254 0.00002793
0.02615295 0.03040712 0.00858921
24.05030163 -1.04230322 -7.35761693
-0.00028536 0.00016505 -0.00004224
-0.01510948 0.02109830 0.00146814
11.65379546 -10.29268747 -11.36388466
0.00008822 0.00041843 -0.00008990
0.00571822 0.00478700 -0.00313448
-8.97577470 -10.64616648 16.27966770
-0.00038990 0.00021144 -0.00035232
-0.01330694 0.00220042 -0.00278274
7.08823492 1.57679680 -27.93687145
0.00016134 -0.00013865 -0.00008265
0.00856839 -0.01377171 -0.02087535
12.59365425 18.50469936 12.75182821
-0.00017134 -0.00033624 -0.00025540
0.02367294 -0.00975104 -0.01475702
26.06188589 7.54842364 -11.05541626
0.00022000 -0.00001450 0.00005507
-0.00008311 -0.00233450 0.00846549
5.02349204 -29.83953265 -4.80799565
-0.00039324 0.00025260 0.00046609
-0.00081757 -0.00030942 0.00079491
3.84957587 -30.01779127 -2.08421766
-0.00019084 -0.00060393 0.00008894
0.01033497 -0.01799185 -0.01153239
-10.01418707 2.58029234 -8.68483466
0.00082130 0.00086598 0.00037887
0.03275471 0.00811889 0.01079051
-11.79352244 2.58754099 -11.00884964
0.00011481 0.00030258 0.00012039
0.00048983 0.00416710 -0.00510729
-36.68534196 3.20454901 2.99605600
-0.00020480 0.00117443 -0.00048240
0.00060759 0.00981052 -0.01511782
-37.70802174 0.62818925 3.64383906
-0.00005905 0.00102812 -0.00112504
-0.02841897 -0.01499691 0.00425658
-8.89098901 -3.90495388 1.58733782
-0.00073584 0.00027705 0.00060286
0.01941744 -0.00203668 0.01287430
-6.47828863 -5.03368918 2.88631485
-0.00047110 -0.00025840 0.00009625
-0.00324250 -0.00001284 -0.00268309
2.99215795 -0.08213256 7.36618693
-0.00004201 -0.00001499 0.00106706
-0.00840690 -0.00197077 0.02840546
1.53742271 1.63415431 9.21048200
-0.00075170 -0.00025487 -0.00009673
-0.01487549 0.01886474 0.00447081
-30.04537695 0.16610609 2.93428751
-0.00054009 -0.00032594 0.00045065
0.01298460 -0.01921146 -0.00059251
-32.86628236 0.91995280 2.80563807
-0.00043397 -0.00023307 0.00017323
0.02761942 0.01727851 -0.00513390
15.76135270 11.60266347 -18.51516954
0.00085862 0.00096649 0.00001884
0.00911782 0.01979939 0.00282182
18.31193854 12.58217763 -17.64366895
-0.00019087 0.00033270 -0.00051306
0.03969442 -0.01807234 0.02357569
-2.86933129 6.66544689 6.15796055
0.00004756 -0.00016760 0.00016666
-0.00500892 -0.00553016 0.00059284
-2.72791004 5.05689221 3.81786146
0.00083247 -0.00053765 -0.00080901
0.00404768 -0.00332501 -0.01179729
6.36469080 16.43103761 -8.66917440
0.00084027 0.00025436 0.00124920
0.00568397 -0.00018063 -0.01115449
7.05349949 18.09527451 -6.29013927
-0.00008836 -0.00039836 0.00118205
-0.03360029 -0.02730124 -0.01984884
7.81190483 5.51280105 -22.67061783
-0.00063180 0.00043096 -0.00058096
-0.02131840 -0.00125431 0.02516688
8.58357125 7.06496973 -20.57716612
-0.00045763 0.00061988 0.00140722
-0.00594807 0.00023821 0.02051497
19.11248889 21.07951787 -4.41192676
-0.00111338 -0.00024642 0.00023136
0.00426207 0.03854222 0.03514815
19.52826935 19.75519757 -6.77210619
0.00006201 -0.00033297 0.00037489
-0.00300044 -0.00995556 0.00661704
1.30654707 12.38692002 -21.10086386
-0.00006777 0.00019058 -0.00123480
0.01873555 0.01373733 0.00272317
0.65497771 14.85126100 -22.30753747
-0.00068601 0.00010051 -0.00004672
-0.00283202 0.00708850 0.00834497
9.85080862 -6.95993043 0.27242954
-0.00026987 0.00025571 0.00095623
0.00594587 -0.00428388 -0.00511529
9.37181300 -4.20584936 -0.29485977
-0.00071107 0.00024482 0.00091181
-0.03182928 0.03584676 -0.02297772
-18.27100639 -5.65161585 6.62043727
0.00005296 -0.00061081 -0.00017795
0.01123000 0.01725677 -0.00579972
-18.78616159 -4.97943337 3.94387666
-0.00014291 0.00033828 -0.00034970
0.00946838 0.00684093 -0.00000957
-14.49245426 -0.15590089 19.32029778
-0.00026503 -0.00106682 0.00051421
-0.00145537 0.00243109 -0.01858734
-14.58426104 -0.19769873 22.14423178
-0.00055150 0.00017634 0.00013079
0.00371838 -0.00854860 -0.00020617
1.01605262 2.63315294 -2.73688814
-0.00012532 -0.00029185 -0.00088034
-0.00172587 -0.00982586 -0.00030366
1.87684959 2.77560494 -5.59681790
-0.00050829 0.00059676 -0.00112736
-0.00335757 -0.01014584 0.01061754
21.25788600 -10.35967281 -6.24702336
-0.00013680 0.00085146 -0.00065820
0.00338842 0.00029271 -0.01038351
22.71523510 -10.04418003 -3.77917092
0.00114408 0.00025695 -0.00115306
0.05589444 0.02308183 0.01947380
4.73323253 -10.37039970 6.72878104
-0.00088214 -0.00010722 0.00002511
-0.02442886 -0.00712470 0.01713117
3.39049459 -11.53706567 9.15989599
-0.00006551 0.00076580 0.00005889
0.00312479 0.00092296 -0.00175809
-1.99832368 -3.40593765 -20.65900761
0.00023894 0.00006386 0.00051103
-0.00264895 -0.01344504 -0.00921288
-3.00670524 -2.08639107 -18.27177588
0.00103896 -0.00001512 0.00029423
0.01484785 0.00850404 -0.02555855
0.91603529 4.74252135 -10.57529249
-0.00002822 -0.00053549 -0.00034127
-0.01206115 -0.00353310 0.00868031
-1.04796366 3.21772747 -8.71275375
0.00113463 0.00023097 0.00069137
0.01457134 0.02375224 -0.05814488
-4.10853258 15.84728055 15.71375256
-0.00085400 0.00021332 -0.00004293
-0.01498250 -0.02363299 -0.02650606
-6.72999672 15.17533102 14.65333346
0.00017191 -0.00000196 -0.00084747
0.01404766 -0.00889570 -0.00282459
-6.56204755 2.09194230 -5.93869415
0.00071179 -0.00004901 0.00033787
0.00333394 -0.00563559 -0.00704134
-5.04877952 1.60666625 -8.53906471
-0.00108413 0.00069175 -0.00040679
-0.01247569 0.01592118 0.01688182
-9.98978664 -0.69133513 -3.71660636
-0.00044275 0.00026776 0.00066333
0.00407971 0.01213848 0.00003295
-9.76727455 2.14055085 -2.81278196
-0.00072818 0.00037999 0.00065905
-0.00347038 0.01574494 0.01045877
3.47362178 28.99235792 4.94327354
0.00065862 0.00053240 0.00005105
-0.00455008 -0.00526132 -0.00433275
3.09423078 27.90260827 7.67071528
-0.00018825 0.00096501 -0.00018025
-0.00751447 -0.01093458 -0.04733397
7.97889310 -11.13043491 -1.40049878
-0.00123525 -0.00056163 -0.00101672
-0.00613526 -0.00020339 0.00293835
10.66589479 -11.62404304 -0.01786420
-0.00052529 -0.00122554 -0.00032091
-0.01580791 0.00326441 -0.00680977
-5.40539270 -0.03589428 8.76319384
0.00001245 0.00100173 0.00058453
0.01061959 -0.00988468 -0.00313351
-8.34085971 0.07810358 9.07608579
-0.00002751 0.00090009 0.00042553
0.01536773 0.00457204 0.00352235
20.06774197 10.71639714 8.67441153
-0.00136097 -0.00068678 -0.00026068
-0.00735211 -0.00200171 0.03636750
21.94898077 10.74247039 6.68561813
-0.00144139 0.00003919 -0.00000564
0.03857219 0.00546851 -0.00746852
-2.99721620 -0.19084943 -22.48263154
-0.00026853 -0.00019498 0.00097480
0.00151967 0.02388218 -0.01717392
-4.80888876 1.53875816 -24.01019313
-0.00151651 0.00083963 0.00014634
-0.01135442 0.00333012 -0.00251866
-12.35881240 9.90538404 9.54720529
0.00000434 -0.00066010 -0.00007809
0.00427657 0.00228462 0.00411766
-13.65984584 9.28173880 7.03447059
-0.00083116 -0.00038210 -0.00017843
-0.00186058 0.00000558 0.01061897
-14.87125072 4.92892919 -4.40764037
-0.00041051 -0.00015027 -0.00040690
-0.00176744 -0.01428742 -0.01011229
-13.61195608 7.51551990 -4.45041913
0.00007687 0.00020956 -0.00113297
-0.00154164 0.00874979 0.00079741
-4.33693336 -15.88418280 20.52794499
0.00036112 -0.00056146 0.00059499
0.00274875 0.00057049 0.00456485
-1.92676129 -16.70582021 19.36795178
-0.00038087 0.00020043 -0.00045680
0.01109241 -0.00412458 -0.00787144
-5.63278752 6.13555390 -7.44781757
-0.00084275 -0.00010185 0.00017869
0.00252108 0.01465116 -0.01102684
-7.34535110 8.30511935 -6.74792404
0.00038762 0.00011164 0.00026196
0.00478452 0.01003563 -0.00986920
-20.76590670 28.98679976 1.05534052
0.00022144 -0.00055007 0.00018841
-0.02032339 -0.02703009 -0.00468243
-18.03090423 29.59084148 0.20280077
-0.00003736 0.00000451 -0.00026844
0.00533397 -0.01094437 0.00385778
9.09699659 2.71691939 6.54142374
-0.00027467 0.00038465 0.00033359
0.01413167 0.03070142 0.02868818
9.23752806 5.64206931 7.95166380
0.00038542 0.00042662 0.00084024
0.01121482 -0.03646550 0.00126095
7.72230481 17.78706626 -12.34782446
0.00038207 0.00044176 -0.00027584
0.00418226 -0.00800992 0.00305353
8.40940312 14.95743523 -12.33867969
-0.00021656 0.00043020 0.00005576
-0.00909141 0.01152043 0.01117940
12.19615912 6.06083812 -1.20231260
-0.00040548 0.00090994 0.00001798
0.00872849 -0.01114047 0.00709517
13.56669810 3.72291478 0.27608476
-0.00053559 0.00022023 -0.00024503
-0.00804136 0.00996874 0.00060280
-4.65753601 10.45649168 -1.87330843
-0.00066495 0.00026040 -0.00050930
0.01862513 0.00820137 -0.01525662
-6.89836068 10.81013219 -0.49800551
-0.00007273 0.00050774 0.00056746
-0.03170624 -0.00470463 0.02774320
7.54202527 14.29637616 5.10797467
0.00059293 -0.00090566 0.00052161
-0.00027343 0.02395792 -0.00342592
9.16870010 12.01082830 4.48085094
0.00049096 -0.00021993 0.00039484
0.04205154 -0.01448566 -0.02576250
20.12658969 -13.04492836 -8.79930585
-0.00100433 -0.00043947 0.00019366
-0.00921030 -0.00994894 0.00507401
22.93287716 -12.65562386 -9.53961175
-0.00190955 -0.00028949 -0.00116310
0.01562284 -0.01326259 0.00019809
19.59364224 -4.96831250 -2.44562227
-0.00047675 0.00016193 0.00056740
0.00027219 0.01118155 -0.01293537
18.34803895 -6.98962082 -0.92628737
0.00042809 -0.00086729 0.00121861
-0.01490882 -0.02077278 0.00409785
13.90489584 9.39973156 9.29244420
-0.00043672 -0.00043683 0.00034826
0.00072522 -0.00351582 -0.00427768
15.52575570 7.56999093 10.74601258
0.00088148 -0.00012465 -0.00037541
-0.00072206 0.00454145 -0.01333140
3.05417410 -15.17508191 17.39590620
0.00028056 -0.00108879 -0.00033366
0.01087798 0.02376634 -0.01945131
3.17916786 -12.24568172 17.15785599
0.00042500 0.00053644 -0.00080095
0.00565184 -0.00013538 -0.00266423
-2.73841749 -3.78336946 -12.52290906
-0.00024950 -0.00007601 -0.00021650
0.00575922 0.01623856 -0.01399604
-0.86873925 -1.99035755 -13.98542078
-0.00027965 -0.00036364 -0.00079568
0.02835665 0.00444820 0.00322628
15.74079550 -7.51830492 -14.95008053
-0.00028779 -0.00059093 -0.00015477
0.00743749 -0.00685267 -0.02345938
16.92550734 -8.15408866 -12.37107338
0.00096622 0.00026403 -0.00026952
0.01225517 -0.00656166 0.00776901
8.34950045 -3.24939506 5.76029838
0.00009846 0.00076325 -0.00110756
-0.02020192 0.00173170 -0.02200822
10.94497484 -4.60239932 5.33150191
0.00047109 0.00027949 0.00067919
0.00500938 0.00022048 -0.01827914
-20.70372566 0.20796888 25.10211953
0.00091263 -0.00081518 -0.00097633
-0.03100414 -0.02475693 0.00136729
-19.67229870 2.73956389 26.13469395
-0.00042777 0.00006269 -0.00002839
0.00289525 -0.01002253 -0.01364150
25.04100176 -2.50442478 -7.57039665
-0.00021989 0.00025539 0.00036322
0.02501992 -0.03331494 0.01149414
23.69453837 -0.74877542 -9.10077904
0.00056061 0.00086988 0.00011831
-0.00527826 0.01252792 -0.01583720
12.15416896 -10.74104138 -9.63699724
0.00096191 -0.00097136 -0.00010164
0.00410361 0.01240592 -0.00453066
12.91216675 -9.13863161 -12.18950748
-0.00031057 0.00059529 0.00041110
-0.00409037 -0.00873126 0.01689064
-7.48742129 -10.75522588 17.31487134
0.00052026 0.00011960 0.00004213
0.01951542 0.00161925 0.00155302
-10.06741175 -10.04637223 17.61098593
0.00004789 0.00078517 -0.00070156
-0.01785178 -0.00214333 -0.00149633
8.24091535 1.19140949 -29.43642471
0.00055227 -0.00002450 -0.00003109
-0.00818117 0.01813801 0.02198074
5.47274653 0.89664657 -28.41358605
0.00057706 0.00046007 -0.00001483
-0.00627371 -0.00329350 -0.00087435
13.95168616 19.31271328 13.65985580
0.00026847 0.00041493 0.00042557
-0.00507844 0.00556137 0.00663408
13.60795944 17.71410558 11.39867102
0.00116426 -0.00043419 -0.00031217
-0.01684857 0.00232367 0.00875534
27.79882044 7.82134842 -11.57238680
-0.00055732 -0.00000972 -0.00040967
0.00886289 -0.00002519 -0.00920757
26.20989099 7.68196390 -9.20752678
0.00028150 0.00017250 0.00056304
-0.00404770 0.00125592 0.00518152
-7.80524319 4.72921886 6.18970495
0.00008784 0.00000124 0.00013399
-0.00367594 -0.00266092 0.00193921
-10.22474914 9.09564835 3.11930629
0.00031895 -0.00011484 0.00026528
0.00749131 -0.00119363 0.00442756
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.07631337
0.31217505
415.95760051
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0596656977
ExchangeOperator: pair fraction: ispin=0: 0.1487723094
ExchangeOperator: bisection time: 1.694 s
total exchange = -52.3945956758 (a.u.)
total exchange computation time: 2.9065411091 s
-154.1649588723
-931.38929513
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0596656977
ExchangeOperator: pair fraction: ispin=0: 0.1487723094
ExchangeOperator: bisection time: 1.695 s
total exchange = -52.3938161426 (a.u.)
total exchange computation time: 2.9038820267 s
-154.1716300609
Anderson extrapolation: theta=1.3538604230 (1.3538604230)
-931.38952017
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0596656977
ExchangeOperator: pair fraction: ispin=0: 0.1487723094
ExchangeOperator: bisection time: 1.694 s
total exchange = -52.3926446586 (a.u.)
total exchange computation time: 2.9028539658 s
-154.1813712158
Anderson extrapolation: theta=0.0536437764 (0.0536437764)
-931.38965464
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0596656977
ExchangeOperator: pair fraction: ispin=0: 0.1487723094
ExchangeOperator: bisection time: 1.696 s
total exchange = -52.3924903544 (a.u.)
total exchange computation time: 2.9041929245 s
-154.1825032342
Anderson extrapolation: theta=1.9397264588 (1.9397264588)
-931.38965974
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0596656977
ExchangeOperator: pair fraction: ispin=0: 0.1487723094
ExchangeOperator: bisection time: 1.693 s
total exchange = -52.3921615348 (a.u.)
total exchange computation time: 2.9034807682 s
-154.1848503378
Anderson extrapolation: theta=0.2177298521 (0.2177298521)
-931.38966506
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0596656977
ExchangeOperator: pair fraction: ispin=0: 0.1487723094
ExchangeOperator: bisection time: 1.694 s
total exchange = -52.3920791247 (a.u.)
total exchange computation time: 2.9050061703 s
-154.1853807487
Anderson extrapolation: theta=1.8227610494 (1.8227610494)
-931.38966608
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0596656977
ExchangeOperator: pair fraction: ispin=0: 0.1487723094
ExchangeOperator: bisection time: 1.695 s
total exchange = -52.3919466778 (a.u.)
total exchange computation time: 2.9048230648 s
-154.1861682462
Anderson extrapolation: theta=0.2774944159 (0.2774944159)
-931.38966731
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0596656977
ExchangeOperator: pair fraction: ispin=0: 0.1487723094
ExchangeOperator: bisection time: 1.695 s
total exchange = -52.3919292198 (a.u.)
total exchange computation time: 2.9027659893 s
-154.1862072643
Anderson extrapolation: theta=1.3375867715 (1.3375867715)
-931.38966763
20.906971 27.141063 -166.289037
560.145636 1074.685311 -407.576553
581.052607 1101.826374 -573.865591
1371.482850
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0596656977
ExchangeOperator: pair fraction: ispin=0: 0.1487723094
ExchangeOperator: bisection time: 1.693 s
total exchange = -52.3919215291 (a.u.)
total exchange computation time: 2.9039678574 s
679.01913876
-1084.54394532
89.86608740
-388.50261333
-174.83641389
78.68393268
551.60419304
0.00000000
-931.38966791
4.54834309 -31.05528845 -3.48914433
-0.00003637 -0.00026536 -0.00001472
-0.00806586 0.01365985 0.01034557
-11.62140122 2.15050092 -9.23595895
0.00013397 0.00003241 0.00014892
-0.02760461 -0.00999259 -0.00855949
-36.18938312 1.42947269 3.20337894
0.00005232 -0.00016304 0.00032854
0.02564916 0.01030550 0.00681949
-7.37345543 -3.45599881 2.64899435
0.00019203 0.00003255 0.00006000
-0.01950344 -0.00471610 -0.00870690
2.24207317 -0.00811030 9.09539226
0.00006809 -0.00026707 -0.00000314
0.01961856 -0.01907503 -0.02829210
-31.08117763 1.58997073 2.55034420
0.00001332 0.00036167 -0.00010171
-0.03983925 -0.00297081 0.01346705
16.81696293 13.14282848 -18.38258172
-0.00027373 -0.00017258 -0.00040503
-0.04798527 0.01288909 -0.01823588
-3.45864580 5.05361210 5.46219454
-0.00006158 -0.00008987 -0.00009574
0.00552324 0.01125778 0.00001584
5.64533839 17.03442115 -7.08553319
-0.00021749 -0.00006544 -0.00028710
0.02415426 0.03560176 0.04500401
7.24996677 5.80051931 -20.80531878
0.00018448 0.00022704 0.00010650
0.02857565 0.00950308 -0.04715838
18.62418650 19.56421614 -5.18241055
0.00015561 -0.00008909 -0.00025235
-0.00217412 -0.03830880 -0.03868471
1.98509252 14.13242969 -21.24421704
0.00010466 0.00033138 -0.00001816
-0.02196822 -0.01527313 -0.00677123
10.55979673 -5.28248918 0.41779578
0.00021891 -0.00008332 -0.00000132
0.02325739 -0.02759029 0.02084752
-17.72290313 -4.39083168 5.34841294
0.00059024 -0.00049134 0.00004173
-0.02340463 -0.02737190 0.00315825
-14.30920763 -1.32024126 20.70701165
-0.00007673 0.00019316 0.00003242
-0.00183482 -0.00095102 0.02324212
1.60588512 3.71867841 -4.06039133
0.00001131 -0.00006172 -0.00005557
0.00772958 0.01863216 -0.01497946
21.22193706 -10.58028712 -4.44608472
-0.00028228 0.00002628 0.00025774
-0.04985830 -0.01249049 -0.00881209
3.08554664 -10.54185872 7.65382188
0.00019996 -0.00024617 -0.00035934
0.01408597 0.00675854 -0.01696828
-1.99203322 -1.78373927 -19.83875996
-0.00020401 -0.00011156 -0.00036746
-0.00838473 0.00613774 0.03826104
-0.67338371 3.78228281 -10.57867834
-0.00038409 0.00028564 -0.00027938
-0.00117186 -0.01474484 0.05537088
-4.93692885 14.75789165 14.38700845
0.00009663 0.00025375 -0.00013544
0.00208461 0.03168376 0.02394257
-5.27811193 2.78413630 -7.09958994
0.00018068 0.00001344 0.00029165
0.00439468 -0.01072321 -0.01235767
-9.20325071 0.94168585 -4.03912781
0.00026070 0.00007879 -0.00024331
0.00261615 -0.03014800 -0.01496095
2.84874781 27.47684645 5.78497541
-0.00008176 -0.00008192 0.00002804
0.01376791 0.02847704 0.05253958
9.75944445 -10.83036541 -1.46014844
-0.00024250 0.00010745 0.00001946
0.00843692 0.00613102 -0.00262805
-6.76946825 1.03722569 9.26951395
-0.00003172 -0.00017695 -0.00012413
-0.02717835 0.01336500 0.00364076
20.19112229 10.75406342 6.91032639
0.00013371 -0.00016845 -0.00000103
-0.04047339 -0.00596366 -0.02637670
-3.07495026 1.03540588 -23.96932511
0.00023341 -0.00011277 -0.00027215
-0.00461631 -0.02078510 0.02565187
-13.50875216 8.67051275 8.76893380
0.00023690 -0.00022632 0.00024225
-0.01733147 -0.01325720 -0.01802498
-13.66108592 5.95116863 -3.54139348
-0.00014746 -0.00024136 -0.00019455
0.00500261 0.00855986 0.00567147
-2.55479991 -15.47839530 20.53525174
-0.00047965 -0.00011633 0.00004892
-0.01514575 0.00435019 0.00822262
-5.92420006 7.96010066 -7.87496033
0.00018515 0.00036390 0.00010284
-0.00283221 -0.03488231 0.01327979
-19.56416590 30.25890104 0.87172075
0.00020827 -0.00006537 -0.00008782
0.00388432 0.04070056 0.00616609
9.88119934 3.79410866 7.93377132
0.00008111 -0.00014716 -0.00013051
-0.01644507 0.00576848 -0.02219021
7.26720945 16.19773236 -11.55344644
-0.00000556 0.00011269 0.00008843
0.00610656 -0.00426639 -0.01744118
13.49564992 4.75778526 -1.26994519
-0.00009543 -0.00054214 -0.00001207
-0.00064060 0.01859456 -0.00622973
-5.99742292 11.69332456 -1.73335521
0.00034623 0.00009097 0.00055480
0.01711172 0.00085246 -0.01361600
7.68779059 12.52862373 5.26557620
-0.00033143 0.00008206 0.00000377
-0.03308529 -0.01368781 0.02012304
21.33783469 -11.85735249 -9.40586175
-0.00041019 0.00027992 0.00017133
-0.02754691 0.02400657 -0.01019042
19.68271511 -5.79487208 -0.83401793
-0.00021507 0.00026164 0.00029401
0.01495025 0.00477002 0.00852998
15.08377172 8.02082429 8.98794486
0.00049078 -0.00002430 0.00047708
0.00009676 0.00047950 0.01759622
3.82138182 -13.76306266 16.35675151
-0.00011050 -0.00000749 0.00000562
-0.01292563 -0.03435915 0.01495311
-2.57699069 -2.23606777 -13.54225440
0.00001607 0.00019319 0.00021148
-0.03846212 -0.02151524 0.01224496
15.49200220 -7.42980222 -13.17431775
-0.00017458 -0.00000961 -0.00001096
-0.01563523 0.01084053 0.01476054
9.84768615 -3.83572274 6.50898977
0.00026001 -0.00022464 -0.00030759
0.00617552 0.00508431 0.03774513
-19.43964816 1.39902035 24.83120658
-0.00016557 -0.00008611 0.00003213
0.02913041 0.03348737 0.00776883
24.04596299 -1.03974605 -7.35824493
-0.00029306 0.00017590 -0.00004109
-0.01483519 0.02110070 0.00301711
11.65514088 -10.28639261 -11.36524522
0.00009105 0.00042014 -0.00009035
0.00528818 0.00187585 0.00139145
-8.98167449 -10.64298637 16.27437223
-0.00039463 0.00021222 -0.00035312
-0.00508120 0.00081277 -0.00036024
7.09068802 1.57466397 -27.93819176
0.00016691 -0.00014527 -0.00009312
0.01311446 -0.01198607 -0.01984854
12.59117553 18.49961812 12.74794029
-0.00015700 -0.00034089 -0.00026288
0.03207960 -0.00832588 -0.01432309
26.06518550 7.54819719 -11.05455761
0.00021885 -0.00001581 0.00006051
-0.00435756 -0.00276167 0.01269160
5.01756845 -29.83575308 -4.80097987
-0.00039592 0.00025142 0.00046756
-0.00049722 -0.00026778 -0.00007710
3.84703000 -30.02740154 -2.08323690
-0.00014946 -0.00067677 0.00004372
0.00991994 -0.01766576 -0.01060687
-10.00086393 2.59353076 -8.67882095
0.00093733 0.00089463 0.00041710
0.02404503 0.00590615 0.00792278
-11.79178533 2.59220737 -11.00720024
0.00011677 0.00031909 0.00010067
0.00047103 0.00391480 -0.00454630
-36.68839529 3.22246603 2.98835674
-0.00019621 0.00119818 -0.00054270
0.00359326 0.00181759 -0.01440069
-37.70977827 0.64315151 3.62709385
-0.00018773 0.00095976 -0.00110397
-0.03457158 -0.01846861 0.00605691
-8.90143165 -3.90086050 1.59677516
-0.00065305 0.00026917 0.00065696
0.02111061 -0.00182222 0.01361123
-6.48545447 -5.03756563 2.88767639
-0.00048365 -0.00025918 0.00008543
-0.00290392 -0.00036961 -0.00261525
2.99127019 -0.08241783 7.38306332
-0.00007049 -0.00002373 0.00117013
-0.00553433 -0.00230596 0.02204372
1.52569142 1.63090938 9.20916804
-0.00080993 -0.00018404 -0.00007889
-0.01363191 0.01580389 0.00426261
-30.05308042 0.16062829 2.94102908
-0.00048927 -0.00039899 0.00044673
0.01189347 -0.01654683 -0.00132534
-32.87194563 0.91698624 2.80807927
-0.00031637 -0.00015886 0.00015111
0.02994899 0.01904668 -0.00569862
15.77451147 11.61776758 -18.51480052
0.00088305 0.00102924 0.00002838
0.00283857 0.01091783 0.00184828
18.31029182 12.58661429 -17.65064246
-0.00002776 0.00025933 -0.00041666
0.04015212 -0.01784038 0.02361560
-2.86877136 6.66276343 6.16047862
0.00002728 -0.00019093 0.00016749
-0.00492029 -0.00589223 -0.00018485
-2.71529891 5.04872558 3.80536487
0.00084198 -0.00055026 -0.00084066
0.00060449 -0.00284811 -0.00369816
6.37746908 16.43484746 -8.65077821
0.00086800 0.00024868 0.00119118
0.00788820 -0.00260026 -0.01724486
7.05114453 18.08846244 -6.27301670
-0.00022915 -0.00051156 0.00109840
-0.03531799 -0.02810709 -0.02109944
7.80177461 5.51922699 -22.67856096
-0.00071660 0.00042808 -0.00047424
-0.02019284 -0.00015396 0.02707067
8.57652459 7.07427520 -20.55542920
-0.00048120 0.00061936 0.00148793
-0.00559105 -0.00048926 0.01899261
19.09591884 21.07700261 -4.40737937
-0.00109508 -0.00008587 0.00037570
0.00469257 0.04004963 0.03550726
19.52910755 19.74989798 -6.76628010
0.00005463 -0.00037145 0.00039482
-0.00060994 -0.00888382 0.00314124
1.30610462 12.39019971 -21.11930243
0.00001004 0.00024649 -0.00122216
0.01935484 0.01362807 0.00346493
0.64460073 14.85298592 -22.30798252
-0.00069246 0.00012883 -0.00000934
-0.00032326 0.00677258 0.00995007
9.84694274 -6.95622608 0.28661627
-0.00024659 0.00023523 0.00093524
0.00545157 -0.00574204 -0.00515943
9.36017163 -4.20107862 -0.28188668
-0.00083356 0.00038442 0.00082293
-0.02813005 0.03248929 -0.02053235
-18.26986781 -5.66024922 6.61759035
0.00009941 -0.00054002 -0.00020230
0.01150340 0.01739501 -0.00611960
-18.78801511 -4.97414959 3.93863082
-0.00010032 0.00036748 -0.00034448
0.01138162 0.00745507 0.00256476
-14.49647431 -0.17182867 19.32744143
-0.00027271 -0.00104533 0.00042526
-0.00230541 0.00808532 -0.02495811
-14.59241962 -0.19531558 22.14618725
-0.00053568 0.00014067 0.00012806
0.00402871 -0.00891353 -0.00112890
1.01411993 2.62847406 -2.75010252
-0.00013503 -0.00033641 -0.00087668
-0.00302623 -0.01198636 0.00209373
1.86912234 2.78424545 -5.61340288
-0.00052294 0.00055855 -0.00107707
-0.00381542 -0.00855861 0.01399760
21.25593785 -10.34689191 -6.25721451
-0.00012523 0.00084946 -0.00068537
0.00227429 -0.00127045 -0.00291688
22.73410915 -10.03961852 -3.79587003
0.00135612 0.00034496 -0.00108020
0.04789809 0.02000145 0.01619065
4.71925186 -10.37222625 6.72968269
-0.00096980 -0.00013505 0.00008899
-0.01848261 -0.00650204 0.01413722
3.38960762 -11.52555034 9.16072542
-0.00005168 0.00076768 0.00005446
0.00364543 -0.00000282 -0.00040983
-1.99482077 -3.40539177 -20.65162453
0.00022799 0.00000170 0.00046922
-0.00271297 -0.01698351 -0.01125316
-2.99066579 -2.08635730 -18.26814564
0.00109728 0.00001961 0.00019136
0.01369685 0.00849813 -0.02479613
0.91524240 4.73438076 -10.58014551
-0.00007518 -0.00054802 -0.00030761
-0.01092524 -0.00260031 0.00779685
-1.03049768 3.22191988 -8.70416497
0.00119151 0.00032794 0.00044879
0.01327108 0.02371347 -0.06059944
-4.12180176 15.84975615 15.71229638
-0.00091187 0.00011977 -0.00014767
-0.01334094 -0.02216150 -0.02476551
-6.72698765 15.17502904 14.64053489
0.00022554 -0.00003768 -0.00085870
0.01220494 -0.00859194 -0.00267130
-6.55126861 2.09103444 -5.93384185
0.00072228 -0.00007332 0.00031172
0.00180424 -0.00626262 -0.00576016
-5.06542377 1.61753039 -8.54464930
-0.00113376 0.00075583 -0.00033852
-0.01182019 0.01544547 0.01653918
-9.99630282 -0.68694676 -3.70665541
-0.00042346 0.00031929 0.00066114
0.00535979 0.01308467 -0.00110506
-9.77830361 2.14673315 -2.80257565
-0.00073525 0.00043399 0.00068851
0.00000897 0.01069034 0.00396029
3.48336163 29.00018272 4.94390652
0.00063588 0.00050168 0.00003660
-0.00658050 -0.00977659 -0.00273905
3.09117672 27.91674832 7.66656100
-0.00021934 0.00091821 -0.00037160
-0.00770076 -0.01197149 -0.04633240
7.96017628 -11.13886564 -1.41565951
-0.00124314 -0.00055965 -0.00100501
0.00227677 0.00117473 0.00279393
10.65753105 -11.64232604 -0.02288646
-0.00059088 -0.00121075 -0.00034988
-0.01629783 0.00397335 -0.00737406
-5.40488059 -0.02117123 8.77186572
0.00006445 0.00095178 0.00056748
0.01483713 -0.01456415 -0.00521241
-8.34080151 0.09174504 9.08257670
0.00002922 0.00091239 0.00043829
0.01240224 0.00144675 0.00272438
20.04710213 10.70603413 8.67161570
-0.00139001 -0.00069523 -0.00011201
-0.00686413 -0.00213440 0.03641063
21.92854193 10.74322585 6.68530465
-0.00125609 0.00006125 -0.00003825
0.05213416 0.00533088 -0.00849311
-3.00119766 -0.19304237 -22.46853579
-0.00026237 -0.00009239 0.00089740
0.00149819 0.02633814 -0.02071269
-4.83198435 1.55145473 -24.00807527
-0.00153252 0.00084403 0.00013697
0.00351546 -0.00117957 -0.00206664
-12.35861629 9.89555260 9.54616014
0.00002588 -0.00064525 -0.00005951
0.00626820 0.00498217 0.00497702
-13.67237031 9.27600753 7.03211960
-0.00083714 -0.00038302 -0.00012869
-0.00106398 -0.00045879 0.01372815
-14.87746255 4.92623737 -4.41405380
-0.00041493 -0.00020700 -0.00044629
-0.00039729 -0.01348096 -0.00916968
-13.61085026 7.51893141 -4.46738922
0.00007025 0.00023306 -0.00112220
-0.00169755 0.00275364 0.00447210
-4.33143234 -15.89258717 20.53700975
0.00036141 -0.00056134 0.00061383
-0.00260497 -0.00051332 0.00465533
-1.93213448 -16.70294007 19.36085851
-0.00033630 0.00018569 -0.00048694
0.01072874 -0.00309179 -0.00688135
-5.64535148 6.13447516 -7.44547507
-0.00083101 -0.00003951 0.00013234
0.00322305 0.01586399 -0.01166268
-7.33939022 8.30710147 -6.74429712
0.00040550 0.00015435 0.00022252
0.00396777 0.01087102 -0.00943488
-20.76320782 28.97772035 1.05802323
0.00014421 -0.00065423 0.00016859
-0.01748372 -0.02395495 -0.00502304
-18.03130113 29.59057383 0.19889241
-0.00001354 -0.00004088 -0.00025372
0.00632547 -0.01127904 0.00334852
9.09330961 2.72362994 6.54730663
-0.00021929 0.00050665 0.00044624
0.01297521 0.02901662 0.02645450
9.24365300 5.64735117 7.96430598
0.00043160 0.00027471 0.00084433
0.01139165 -0.03789380 0.00074285
7.72816401 17.79344715 -12.35186845
0.00039681 0.00040241 -0.00025986
0.00303311 -0.01125146 0.00476941
8.40587608 14.96424125 -12.33750079
-0.00025065 0.00047354 0.00009937
-0.00759219 0.00969540 0.01016779
12.19034433 6.07414577 -1.20182544
-0.00035725 0.00085162 0.00004620
0.01488129 -0.01740536 0.00671608
13.55841785 3.72652368 0.27242784
-0.00056752 0.00025623 -0.00023521
-0.00758909 0.00765191 0.00420140
-4.66693950 10.46064892 -1.88141543
-0.00058092 0.00028552 -0.00057137
0.02250874 0.00409625 -0.01512606
-6.90042322 10.81760414 -0.48864347
-0.00020024 0.00048907 0.00067920
-0.03070869 -0.00443282 0.02695229
7.55091085 14.28352547 5.11569380
0.00059005 -0.00078763 0.00050647
-0.00113706 0.03381514 -0.00398249
9.17735307 12.00708541 4.48598414
0.00065105 -0.00027542 0.00029647
0.03631560 -0.01267758 -0.02239127
20.11124248 -13.05182527 -8.79624548
-0.00103283 -0.00046939 0.00020954
-0.00474095 -0.00469809 0.00269767
22.90471267 -12.66037265 -9.55705212
-0.00182902 -0.00035154 -0.00116454
0.02379532 -0.01711019 -0.00090319
19.58649932 -4.96554096 -2.43750760
-0.00047718 0.00020819 0.00051093
-0.00048088 0.01146513 -0.01470781
18.35400350 -7.00326679 -0.90788271
0.00037096 -0.00094806 0.00123396
-0.01306074 -0.01876163 0.00341938
13.89836733 9.39307131 9.29753700
-0.00043091 -0.00045363 0.00033099
0.00211485 -0.00470347 -0.00417681
15.53895585 7.56826037 10.73997297
0.00087978 -0.00010743 -0.00042158
-0.00011335 0.00388889 -0.00927132
3.05871582 -15.19068545 17.39030520
0.00032519 -0.00098515 -0.00041364
0.01097176 0.02696693 -0.01970000
3.18571602 -12.23763920 17.14576011
0.00044637 0.00053450 -0.00080948
0.00481133 -0.00081429 -0.00151160
-2.74198353 -3.78401202 -12.52658542
-0.00022552 -0.00000975 -0.00027343
0.00598078 0.01619818 -0.01387261
-0.87206502 -1.99567587 -13.99725711
-0.00016285 -0.00034615 -0.00078261
0.02881782 0.00411537 0.00316980
15.73670662 -7.52737880 -14.95312101
-0.00025854 -0.00061826 -0.00024744
0.00688042 -0.00652972 -0.02189970
16.94037617 -8.15032929 -12.37487817
0.00100596 0.00024221 -0.00024262
0.00719654 -0.00412121 0.00540219
8.35035836 -3.23789331 5.74301060
0.00002998 0.00076490 -0.00119080
-0.01331969 -0.00092072 -0.01873848
10.95219467 -4.59820021 5.34112966
0.00049944 0.00027508 0.00059577
0.00886624 -0.00237905 -0.02255595
-20.69098623 0.19498251 25.08751642
0.00078112 -0.00092016 -0.00096878
-0.03337428 -0.02663045 0.00232939
-19.67862658 2.74019712 26.13385005
-0.00041689 0.00001948 -0.00008424
0.00243351 -0.01113119 -0.01369866
25.03847011 -2.50161486 -7.56459614
-0.00011827 0.00011979 0.00040924
0.02472125 -0.03305893 0.01103413
23.70278584 -0.73534331 -9.09948968
0.00053901 0.00092034 0.00005094
-0.00529868 0.01217220 -0.01714314
12.16872341 -10.75523159 -9.63866067
0.00097610 -0.00091783 -0.00012688
0.00283972 0.01379465 -0.00782335
12.90738288 -9.12996978 -12.18282337
-0.00032415 0.00056153 0.00047795
-0.00255817 -0.00779457 0.01583312
-7.47901944 -10.75338220 17.31555095
0.00058615 0.00012749 0.00004035
0.01274092 0.00224055 -0.00242875
-10.06724050 -10.03466031 17.60041661
-0.00002746 0.00077805 -0.00070387
-0.01902940 -0.00134445 0.00036869
8.24894872 1.19159780 -29.43621745
0.00051762 0.00004965 0.00005931
-0.00878148 0.01815929 0.02226759
5.48121018 0.90344663 -28.41383522
0.00054304 0.00044292 -0.00002125
-0.01038086 -0.00509973 -0.00227236
13.95555763 19.31910765 13.66644268
0.00023627 0.00043063 0.00044486
-0.01068341 0.00212122 0.00280578
13.62490710 17.70766400 11.39425676
0.00108977 -0.00042044 -0.00026943
-0.01961672 0.00440635 0.01216773
27.79073230 7.82120177 -11.57881403
-0.00051304 -0.00000863 -0.00044847
0.01280818 0.00056320 -0.00978596
26.21398947 7.68458984 -9.19892241
0.00026485 0.00017767 0.00057733
-0.00410273 0.00127632 0.00181153
-7.80393541 4.72923035 6.19172003
0.00008652 0.00000028 0.00013466
-0.00373977 -0.00270264 0.00177049
-10.21995185 9.09392367 3.12329327
0.00032065 -0.00011512 0.00026629
0.00713760 -0.00118674 0.00420725
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.07634299
0.31332492
417.48974255
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0596656977
ExchangeOperator: pair fraction: ispin=0: 0.1487723094
ExchangeOperator: bisection time: 1.785 s
total exchange = -52.3869905333 (a.u.)
total exchange computation time: 2.8994181156 s
-154.1366485946
-931.38935301
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0596656977
ExchangeOperator: pair fraction: ispin=0: 0.1487723094
ExchangeOperator: bisection time: 1.787 s
total exchange = -52.3862956777 (a.u.)
total exchange computation time: 2.9041600227 s
-154.1426283325
Anderson extrapolation: theta=1.3671039313 (1.3671039313)
-931.38958043
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0596656977
ExchangeOperator: pair fraction: ispin=0: 0.1487723094
ExchangeOperator: bisection time: 1.787 s
total exchange = -52.3852495399 (a.u.)
total exchange computation time: 2.9018249512 s
-154.1514235309
Anderson extrapolation: theta=0.0600394555 (0.0600394555)
-931.38972006
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0596656977
ExchangeOperator: pair fraction: ispin=0: 0.1487723094
ExchangeOperator: bisection time: 1.784 s
total exchange = -52.3851121100 (a.u.)
total exchange computation time: 2.9016940594 s
-154.1524807406
Anderson extrapolation: theta=2.1178691611 (2.0000000000)
-931.38972676
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0596656977
ExchangeOperator: pair fraction: ispin=0: 0.1487723094
ExchangeOperator: bisection time: 1.786 s
total exchange = -52.3848171717 (a.u.)
total exchange computation time: 2.8985979557 s
-154.1546862096
Anderson extrapolation: theta=0.3048086133 (0.3048086133)
-931.38973513
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0596656977
ExchangeOperator: pair fraction: ispin=0: 0.1487723094
ExchangeOperator: bisection time: 1.784 s
total exchange = -52.3847275465 (a.u.)
total exchange computation time: 2.8973221779 s
-154.1552955040
Anderson extrapolation: theta=1.4747228400 (1.4747228400)
-931.38973726
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0596656977
ExchangeOperator: pair fraction: ispin=0: 0.1487723094
ExchangeOperator: bisection time: 1.786 s
total exchange = -52.3846194492 (a.u.)
total exchange computation time: 2.9027671814 s
-154.1559543666
Anderson extrapolation: theta=0.3869472473 (0.3869472473)
-931.38973955
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0596656977
ExchangeOperator: pair fraction: ispin=0: 0.1487723094
ExchangeOperator: bisection time: 1.786 s
total exchange = -52.3846030252 (a.u.)
total exchange computation time: 2.8986971378 s
-154.1559713700
Anderson extrapolation: theta=1.0716571622 (1.0716571622)
-931.38974030
20.888037 27.182204 -166.221226
560.071722 1074.723969 -407.619504
580.959759 1101.906173 -573.840730
1371.497225
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0596656977
ExchangeOperator: pair fraction: ispin=0: 0.1487723094
ExchangeOperator: bisection time: 1.787 s
total exchange = -52.3846049962 (a.u.)
total exchange computation time: 2.9551370144 s
678.91057017
-1084.31055756
89.87369242
-388.66139890
-174.81744201
78.55409033
551.60419304
0.00000000
-931.38974088
4.54776636 -31.05921611 -3.48932518
-0.00004048 -0.00025853 -0.00000955
-0.00791517 0.01289539 0.00973346
-11.61949820 2.15094853 -9.23375815
0.00012215 0.00002796 0.00014510
-0.01834972 -0.00732333 -0.00629876
-36.18849933 1.42706682 3.20833338
0.00006603 -0.00015510 0.00033145
0.02765531 0.02059531 0.00449127
-7.37065016 -3.45552876 2.64986075
0.00018156 0.00003020 0.00005537
-0.02121731 -0.00441531 -0.00930314
2.24317014 -0.01218987 9.09523596
0.00007691 -0.00027577 -0.00001572
0.01470295 -0.01477278 -0.02060619
-31.08113152 1.59538432 2.54887054
-0.00000719 0.00035891 -0.00009437
-0.03991111 -0.00777918 0.01507621
16.81267193 13.14028943 -18.38872747
-0.00029619 -0.00016362 -0.00041393
-0.03935017 0.02198128 -0.01638787
-3.45954818 5.05230755 5.46075852
-0.00005791 -0.00008419 -0.00009756
0.00874911 0.01082489 -0.00708851
5.64216922 17.03357680 -7.08966615
-0.00020543 -0.00004647 -0.00026222
0.02273564 0.03819192 0.05177523
7.25284420 5.80396162 -20.80390322
0.00019885 0.00023173 0.00008231
0.02731371 0.00870386 -0.04690014
18.62651226 19.56273202 -5.18634508
0.00015386 -0.00010898 -0.00027107
-0.00461440 -0.03902862 -0.03411013
1.98657763 14.13734141 -21.24451555
0.00009262 0.00032374 -0.00002227
-0.02484295 -0.01441153 -0.00920674
10.56317002 -5.28384542 0.41785641
0.00022970 -0.00009598 0.00000859
0.01873686 -0.02161953 0.01768962
-17.71413986 -4.39830733 5.34905114
0.00057774 -0.00050547 0.00004273
-0.02518304 -0.02758706 0.00072517
-14.31036570 -1.31734757 20.70758766
-0.00007750 0.00019134 0.00004622
-0.00114723 -0.00612639 0.03041049
1.60608466 3.71782452 -4.06128270
0.00001572 -0.00005202 -0.00006466
0.00939510 0.01906901 -0.02036902
21.21751053 -10.57994112 -4.44225258
-0.00030506 0.00002122 0.00025241
-0.03873201 -0.00719474 -0.01191847
3.08860039 -10.54552520 7.64836638
0.00020527 -0.00024265 -0.00036743
0.00655778 0.00693381 -0.01448955
-1.99512574 -1.78538898 -19.84412429
-0.00020793 -0.00010755 -0.00034769
-0.00686484 0.00945501 0.03862298
-0.67914958 3.78651057 -10.58265541
-0.00038464 0.00027790 -0.00025035
-0.00098145 -0.01537125 0.05751623
-4.93547133 14.76182007 14.38506927
0.00009775 0.00026943 -0.00012378
0.00226332 0.02930539 0.02139310
-5.27538485 2.78429652 -7.09526289
0.00018315 0.00000835 0.00028510
0.00521961 -0.00907871 -0.01310245
-9.19933008 0.94275141 -4.04283523
0.00026090 0.00006434 -0.00024912
-0.00185752 -0.02602429 -0.00763443
2.84757459 27.47572753 5.78559871
-0.00007420 -0.00006601 0.00005418
0.01561317 0.03337326 0.04911953
9.75583955 -10.82873008 -1.45986670
-0.00024011 0.00011010 0.00001827
0.00085464 0.00417255 -0.00199981
-6.77004882 1.03462296 9.26766608
-0.00004581 -0.00016812 -0.00012155
-0.02761994 0.02099022 0.00636876
20.19297185 10.75151370 6.91020921
0.00010948 -0.00017147 -0.00001399
-0.05375696 -0.00578774 -0.02403334
-3.07146686 1.03363415 -23.97330846
0.00022758 -0.00012292 -0.00025830
-0.01807641 -0.01866582 0.02823330
-13.50526556 8.66706682 8.77249799
0.00022733 -0.00023364 0.00023203
-0.01988685 -0.01522161 -0.02171171
-13.66327846 5.94758123 -3.54428984
-0.00014527 -0.00023577 -0.00019275
0.00348947 0.01317030 0.00131797
-2.56205307 -15.48012352 20.53601723
-0.00048587 -0.00011411 0.00005281
-0.00903015 0.00429174 0.00689735
-5.92143379 7.96542460 -7.87336655
0.00018380 0.00034548 0.00010969
-0.00239032 -0.03675595 0.01338284
-19.56102682 30.25807748 0.87042723
0.00020913 -0.00004536 -0.00008443
-0.00056109 0.03711362 0.00702432
9.88235262 3.79192355 7.93172808
0.00007308 -0.00014335 -0.00014101
-0.01479408 0.00902135 -0.01862769
7.26714967 16.19940620 -11.55218722
-0.00000257 0.00011179 0.00007934
0.00549487 0.00076495 -0.01791124
13.49421600 4.74972492 -1.27015026
-0.00009726 -0.00053046 -0.00001611
-0.00647566 0.02681399 -0.00949803
-5.99216344 11.69469246 -1.72508566
0.00035363 0.00009220 0.00054816
0.01164125 0.00390442 -0.01221706
7.68269151 12.52980190 5.26571031
-0.00034638 0.00007205 0.00001319
-0.02504035 -0.02524624 0.01652710
21.33157556 -11.85306115 -9.40333112
-0.00042727 0.00029183 0.00016697
-0.03886570 0.02232337 -0.00676325
19.67954679 -5.79092912 -0.82957491
-0.00020781 0.00026332 0.00029887
0.01324954 0.00178211 0.01038185
15.09113374 8.02046165 8.99516899
0.00049027 -0.00002352 0.00048489
-0.00206515 0.00255759 0.01277707
3.81967444 -13.76330749 16.35689346
-0.00011688 -0.00002570 0.00001298
-0.01189393 -0.03647905 0.01366516
-2.57689800 -2.23325289 -13.53903491
-0.00000353 0.00018240 0.00021759
-0.03775169 -0.02044259 0.01149285
15.48932325 -7.42990455 -13.17442526
-0.00018104 -0.00000469 -0.00000345
-0.00950826 0.00828726 0.01443858
9.85161005 -3.83907279 6.50452150
0.00026044 -0.00022075 -0.00028808
-0.00449789 0.01006794 0.03811671
-19.44201940 1.39785791 24.83171856
-0.00015019 -0.00006853 0.00003591
0.03069877 0.03485522 0.00692791
24.04150990 -1.03702610 -7.35884965
-0.00030045 0.00018650 -0.00003932
-0.01389900 0.02010771 0.00387508
11.65652710 -10.28008327 -11.36659505
0.00009361 0.00042030 -0.00008849
0.00464611 -0.00125908 0.00583875
-8.98761349 -10.63979999 16.26907398
-0.00039521 0.00021230 -0.00035267
0.00280090 -0.00050339 0.00211068
7.09324229 1.57243867 -27.93966519
0.00017469 -0.00015097 -0.00010295
0.01711114 -0.01019428 -0.01837466
12.58894430 18.49447265 12.74394187
-0.00013856 -0.00034477 -0.00027005
0.03962623 -0.00678028 -0.01355866
26.06845149 7.54794944 -11.05360105
0.00021559 -0.00001732 0.00006808
-0.00832147 -0.00313706 0.01676379
5.01161439 -29.83198993 -4.79396882
-0.00039733 0.00025042 0.00046554
-0.00019336 -0.00022572 -0.00091454
3.84509208 -30.03809448 -2.08290619
-0.00011023 -0.00074755 0.00000318
0.00928328 -0.01698102 -0.00923440
-9.98606716 2.60713115 -8.67232168
0.00101663 0.00091372 0.00044318
0.01477326 0.00343939 0.00484319
-11.79001937 2.59711367 -11.00582947
0.00011872 0.00033449 0.00008353
0.00048512 0.00362241 -0.00384436
-36.69122841 3.24049444 2.97977491
-0.00017598 0.00119060 -0.00059995
0.00631104 -0.00553030 -0.01362343
-37.71365356 0.65698190 3.61071985
-0.00033876 0.00087908 -0.00107667
-0.03935778 -0.02102434 0.00730930
-8.91058050 -3.89687879 1.60704669
-0.00056431 0.00026200 0.00071335
0.02232835 -0.00168811 0.01399230
-6.49279828 -5.04146473 2.88887766
-0.00049475 -0.00026140 0.00007492
-0.00252503 -0.00071458 -0.00252817
2.99004325 -0.08284442 7.40129068
-0.00008619 -0.00003382 0.00124502
-0.00215143 -0.00263322 0.01461545
1.51312468 1.62863301 9.20811531
-0.00086236 -0.00012719 -0.00006202
-0.01202952 0.01202835 0.00399533
-30.06005499 0.15413639 2.94768942
-0.00044372 -0.00046001 0.00043947
0.01040504 -0.01332175 -0.00223050
-32.87577344 0.91518698 2.81017122
-0.00019095 -0.00007816 0.00012692
0.03144528 0.02045527 -0.00614033
15.78784420 11.63354080 -18.51431822
0.00088016 0.00105349 0.00003410
-0.00425233 0.00095195 0.00095341
18.31110588 12.58995758 -17.65616867
0.00013329 0.00018826 -0.00032217
0.03867969 -0.01695097 0.02263817
-2.86851297 6.65971886 6.16298537
0.00000755 -0.00021531 0.00016531
-0.00473793 -0.00603856 -0.00088432
-2.70265074 5.04038440 3.79264164
0.00083755 -0.00056078 -0.00083988
-0.00277061 -0.00229930 0.00408159
6.39073080 16.43849795 -8.63343889
0.00090458 0.00023338 0.00110915
0.01001947 -0.00488707 -0.02291038
7.04662506 18.07992780 -6.25718724
-0.00037525 -0.00062666 0.00101068
-0.03620081 -0.02823759 -0.02183880
7.79040685 5.52564349 -22.68484504
-0.00079632 0.00042951 -0.00036086
-0.01883067 0.00085538 0.02842764
8.56913527 7.08355068 -20.53252830
-0.00050326 0.00061593 0.00156227
-0.00520927 -0.00119296 0.01739936
19.07963638 21.07694183 -4.40065588
-0.00107620 0.00007681 0.00051926
0.00454986 0.03958209 0.03476673
19.52990837 19.74405393 -6.76026151
0.00005748 -0.00040531 0.00040000
0.00200087 -0.00769066 -0.00060876
1.30684836 12.39431462 -21.13752864
0.00008990 0.00030103 -0.00120648
0.01973700 0.01307364 0.00421002
0.63420394 14.85512591 -22.30781777
-0.00068895 0.00015593 0.00003434
0.00204086 0.00649325 0.01143343
9.84341096 -6.95287364 0.30048680
-0.00022535 0.00020906 0.00091411
0.00494549 -0.00706474 -0.00518647
9.34680627 -4.19431673 -0.27017195
-0.00093817 0.00050788 0.00074530
-0.02307740 0.02794378 -0.01746902
-18.26802424 -5.66781652 6.61436837
0.00014658 -0.00046947 -0.00022724
0.01158824 0.01714279 -0.00608996
-18.78917109 -4.96840893 3.93354216
-0.00005030 0.00039883 -0.00032924
0.01309946 0.00788850 0.00489829
-14.50063564 -0.18726092 19.33305549
-0.00028389 -0.00100136 0.00031083
-0.00316378 0.01344120 -0.03105433
-14.60033129 -0.19347871 22.14807353
-0.00051864 0.00010392 0.00012190
0.00430896 -0.00907704 -0.00188554
1.01200178 2.62306058 -2.76318859
-0.00014979 -0.00038927 -0.00086377
-0.00419988 -0.01388631 0.00422475
1.86116125 2.79236143 -5.62913001
-0.00053923 0.00052643 -0.00101360
-0.00415502 -0.00716453 0.01707229
21.25412909 -10.33418886 -6.26758442
-0.00011815 0.00084106 -0.00068280
0.00119288 -0.00284498 0.00417309
22.75591869 -10.03383121 -3.81157689
0.00153108 0.00041893 -0.00102201
0.03774677 0.01620739 0.01229524
4.70413847 -10.37445128 6.73145076
-0.00103111 -0.00016001 0.00013933
-0.01152815 -0.00571334 0.01050285
3.38894407 -11.51403520 9.16152973
-0.00003586 0.00076593 0.00005541
0.00410012 -0.00085262 0.00087413
-1.99148413 -3.40588674 -20.64493112
0.00021679 -0.00007375 0.00041966
-0.00276764 -0.01995018 -0.01300322
-2.97378692 -2.08580272 -18.26603506
0.00115012 0.00005408 0.00009300
0.01216841 0.00837379 -0.02335343
0.91377995 4.72608080 -10.58452069
-0.00011711 -0.00055646 -0.00027770
-0.00959885 -0.00153415 0.00684071
-1.01221835 3.22756559 -8.69929010
0.00124250 0.00042396 0.00019879
0.01168821 0.02328854 -0.06177461
-4.13588855 15.85087356 15.70932241
-0.00096216 0.00003343 -0.00024382
-0.01127673 -0.02009997 -0.02229917
-6.72323059 15.17420050 14.62757260
0.00027082 -0.00007200 -0.00086925
0.00996018 -0.00820675 -0.00249294
-6.54037909 2.08974276 -5.92934256
0.00072648 -0.00010017 0.00029094
0.00024836 -0.00688123 -0.00441041
-5.08279244 1.62934113 -8.54922026
-0.00118052 0.00081725 -0.00027256
-0.01106750 0.01461895 0.01575004
-10.00249051 -0.68175647 -3.69677217
-0.00039932 0.00037383 0.00065445
0.00645634 0.01361171 -0.00216793
-9.78933212 2.15357061 -2.79212664
-0.00072801 0.00046768 0.00069160
0.00353820 0.00579794 -0.00244823
3.49269820 29.00740835 4.94437162
0.00060509 0.00045328 0.00002823
-0.00849133 -0.01391609 -0.00135910
3.08765070 27.93015467 7.65956719
-0.00025092 0.00086772 -0.00055677
-0.00776203 -0.01274311 -0.04431011
7.94159900 -11.14722438 -1.43064902
-0.00121756 -0.00055200 -0.00099368
0.01024544 0.00256880 0.00275294
10.64816848 -11.66036553 -0.02836065
-0.00065807 -0.00119323 -0.00038082
-0.01659487 0.00460087 -0.00777086
-5.40345917 -0.00734075 8.78021815
0.00013287 0.00088363 0.00054244
0.01865335 -0.01879948 -0.00704480
-8.33998321 0.10547515 9.08923458
0.00007282 0.00091146 0.00044777
0.00894007 -0.00190187 0.00191395
20.02604162 10.69554032 8.67105134
-0.00141650 -0.00070409 0.00003335
-0.00610288 -0.00220498 0.03474394
21.91129820 10.74430801 6.68447067
-0.00101789 0.00008284 -0.00007443
0.06446536 0.00523587 -0.00921882
-3.00508730 -0.19362114 -22.45570943
-0.00025614 0.00001896 0.00080684
0.00154903 0.02816677 -0.02361653
-4.85486448 1.56407900 -24.00608408
-0.00149104 0.00083077 0.00012912
0.01679166 -0.00531051 -0.00177285
-12.35803602 9.88602650 9.54542002
0.00005521 -0.00061970 -0.00003762
0.00809067 0.00752662 0.00573649
-13.68495999 9.27024815 7.03060997
-0.00083986 -0.00038554 -0.00006709
-0.00026911 -0.00077535 0.01642550
-14.88369873 4.92271934 -4.42102920
-0.00041317 -0.00025990 -0.00048145
0.00126252 -0.01241710 -0.00803798
-13.60984848 7.52251168 -4.48408524
0.00006294 0.00023263 -0.00109671
-0.00188104 -0.00296440 0.00800869
-4.32609096 -15.90102301 20.54635983
0.00033962 -0.00056588 0.00063306
-0.00806270 -0.00170801 0.00475939
-1.93685014 -16.70024942 19.35334352
-0.00029362 0.00017572 -0.00051249
0.01016227 -0.00178761 -0.00562392
-5.65771791 6.13436866 -7.44384732
-0.00081633 0.00002690 0.00008373
0.00396373 0.01664208 -0.01213296
-7.33318617 8.30974983 -6.74124842
0.00041975 0.00020045 0.00018518
0.00300732 0.01169758 -0.00884321
-20.76158045 28.96717283 1.06039809
0.00008009 -0.00074404 0.00014709
-0.01390061 -0.02000581 -0.00549942
-18.03131037 29.58961493 0.19518927
0.00001379 -0.00008737 -0.00024085
0.00704999 -0.01147645 0.00295068
9.09041784 2.73211881 6.55481082
-0.00016958 0.00062052 0.00054824
0.01136119 0.02672715 0.02347537
9.25047609 5.65031065 7.97699369
0.00047801 0.00011827 0.00084625
0.01132675 -0.03868740 0.00019694
7.73420910 17.79913847 -12.35562015
0.00040703 0.00035068 -0.00023724
0.00196734 -0.01407083 0.00630333
8.40188376 14.97164147 -12.33569874
-0.00027793 0.00050862 0.00013836
-0.00576549 0.00747805 0.00891959
12.18544156 6.08638671 -1.20092668
-0.00028574 0.00076935 0.00007282
0.02012489 -0.02286529 0.00631705
13.54967248 3.73060153 0.26902840
-0.00059755 0.00028262 -0.00021053
-0.00711003 0.00526774 0.00788043
-4.67496351 10.46505720 -1.89044944
-0.00048183 0.00029408 -0.00063272
0.02599704 0.00009646 -0.01490774
-6.90436778 10.82480441 -0.47762963
-0.00032171 0.00047276 0.00078540
-0.02875490 -0.00355234 0.02503579
7.55972675 14.27274717 5.12316885
0.00058412 -0.00063124 0.00048933
-0.00176653 0.04274010 -0.00441036
9.18823168 12.00256557 4.48974506
0.00078494 -0.00032253 0.00021310
0.02922375 -0.01037933 -0.01841886
20.09560472 -13.05901010 -8.79301978
-0.00104330 -0.00047802 0.00021593
-0.00038196 0.00047677 0.00043222
22.87800651 -12.66617006 -9.57454784
-0.00171742 -0.00042847 -0.00117069
0.03083656 -0.02054796 -0.00210750
19.57932693 -4.96206677 -2.43029433
-0.00048070 0.00025500 0.00044823
-0.00124391 0.01144706 -0.01598475
18.35916761 -7.01806258 -0.88926849
0.00032265 -0.00101922 0.00124645
-0.01058596 -0.01607006 0.00269305
13.89196843 9.38612280 9.30237382
-0.00041954 -0.00047504 0.00031419
0.00345375 -0.00577914 -0.00404505
15.55214904 7.56676814 10.73336516
0.00088086 -0.00009315 -0.00045027
0.00064233 0.00309965 -0.00476987
3.06392995 -15.20463629 17.38349686
0.00036953 -0.00086974 -0.00049369
0.01073242 0.02952410 -0.01948110
3.19255904 -12.22964659 17.13357159
0.00046435 0.00052981 -0.00081337
0.00398668 -0.00148374 -0.00039453
-2.74518304 -3.78366184 -12.53111199
-0.00020087 0.00005514 -0.00032905
0.00608666 0.01556507 -0.01335551
-0.87362466 -2.00074198 -14.00889919
-0.00004670 -0.00033025 -0.00076914
0.02803710 0.00366589 0.00342808
15.73303942 -7.53685285 -14.95750364
-0.00023177 -0.00064399 -0.00033125
0.00622271 -0.00606352 -0.01912811
16.95568605 -8.14682250 -12.37835189
0.00102462 0.00023044 -0.00022546
0.00194145 -0.00164022 0.00299773
8.35039995 -3.22644798 5.72457442
-0.00000979 0.00075528 -0.00126005
-0.00614744 -0.00378912 -0.01516093
10.95995789 -4.59414690 5.34937505
0.00054288 0.00026070 0.00049586
0.01239853 -0.00466195 -0.02635327
-20.68029219 0.18036407 25.07305606
0.00064294 -0.00102994 -0.00095797
-0.03426371 -0.02710746 0.00296499
-19.68480532 2.74014816 26.13216661
-0.00040805 -0.00002760 -0.00013960
0.00189348 -0.01191040 -0.01339824
25.03745354 -2.50083101 -7.55811939
-0.00001968 -0.00001206 0.00045348
0.02354301 -0.03148318 0.01062126
23.71070857 -0.72116522 -9.09925095
0.00051779 0.00096887 -0.00002033
-0.00508600 0.01158393 -0.01774375
12.18345190 -10.76857638 -9.64080356
0.00098509 -0.00085873 -0.00016495
0.00156050 0.01513646 -0.01081365
12.90244224 -9.12178565 -12.17516891
-0.00033106 0.00053213 0.00054004
-0.00082602 -0.00659766 0.01455770
-7.46983675 -10.75140120 17.31608170
0.00062441 0.00013799 0.00002265
0.00598948 0.00289886 -0.00623493
-10.06823548 -10.02303079 17.58986989
-0.00010698 0.00077396 -0.00069899
-0.01989631 -0.00065581 0.00201864
8.25644390 1.19289903 -29.43464550
0.00048114 0.00012354 0.00014991
-0.00907357 0.01800837 0.02208415
5.48903762 0.90993415 -28.41422365
0.00049269 0.00041864 -0.00003333
-0.01426352 -0.00678316 -0.00364062
13.95877435 19.32563203 13.67320151
0.00018216 0.00043266 0.00044896
-0.01580402 -0.00112541 -0.00079571
13.64065252 17.70149246 11.39058821
0.00100478 -0.00039882 -0.00021390
-0.02198482 0.00617591 0.01501069
27.78342912 7.82108964 -11.58584099
-0.00045340 -0.00000521 -0.00048942
0.01638593 0.00110695 -0.01025845
26.21783651 7.68729400 -9.19020703
0.00024812 0.00018292 0.00057799
-0.00408540 0.00129563 -0.00148543
-7.80264771 4.72922733 6.19374462
0.00008517 -0.00000069 0.00013526
-0.00379251 -0.00274961 0.00160528
-10.21512970 9.09219485 3.12729489
0.00032226 -0.00011539 0.00026724
0.00677320 -0.00119177 0.00398990
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.07618157
0.31355930
417.80205102
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0593750000
ExchangeOperator: pair fraction: ispin=0: 0.1480800433
ExchangeOperator: bisection time: 1.783 s
total exchange = -52.3788271433 (a.u.)
total exchange computation time: 2.8470501900 s
-154.1054177596
-931.38873570
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0593750000
ExchangeOperator: pair fraction: ispin=0: 0.1480800433
ExchangeOperator: bisection time: 1.786 s
total exchange = -52.3781884430 (a.u.)
total exchange computation time: 2.8462588787 s
-154.1107035613
Anderson extrapolation: theta=1.3691018701 (1.3691018701)
-931.38896583
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0593750000
ExchangeOperator: pair fraction: ispin=0: 0.1480800433
ExchangeOperator: bisection time: 1.785 s
total exchange = -52.3772144242 (a.u.)
total exchange computation time: 2.8511869907 s
-154.1185564020
Anderson extrapolation: theta=0.0611378467 (0.0611378467)
-931.38910687
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0593750000
ExchangeOperator: pair fraction: ispin=0: 0.1480800433
ExchangeOperator: bisection time: 1.786 s
total exchange = -52.3770782170 (a.u.)
total exchange computation time: 2.8475129604 s
-154.1195619887
Anderson extrapolation: theta=2.1157419556 (2.0000000000)
-931.38911343
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0593750000
ExchangeOperator: pair fraction: ispin=0: 0.1480800433
ExchangeOperator: bisection time: 1.785 s
total exchange = -52.3767868707 (a.u.)
total exchange computation time: 2.8444409370 s
-154.1216555686
Anderson extrapolation: theta=0.2919558992 (0.2919558992)
-931.38912114
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0593750000
ExchangeOperator: pair fraction: ispin=0: 0.1480800433
ExchangeOperator: bisection time: 1.783 s
total exchange = -52.3767034842 (a.u.)
total exchange computation time: 2.8467719555 s
-154.1222004578
Anderson extrapolation: theta=1.4041278096 (1.4041278096)
-931.38912284
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0593750000
ExchangeOperator: pair fraction: ispin=0: 0.1480800433
ExchangeOperator: bisection time: 1.785 s
total exchange = -52.3766108882 (a.u.)
total exchange computation time: 2.8472869396 s
-154.1227387064
Anderson extrapolation: theta=0.3603431057 (0.3603431057)
-931.38912440
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0593750000
ExchangeOperator: pair fraction: ispin=0: 0.1480800433
ExchangeOperator: bisection time: 1.784 s
total exchange = -52.3766027413 (a.u.)
total exchange computation time: 2.8459808826 s
-154.1227126537
Anderson extrapolation: theta=1.0599735245 (1.0599735245)
-931.38912486
20.877952 27.222545 -166.158543
560.001223 1074.761980 -407.665070
580.879175 1101.984525 -573.823613
1371.518884
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0593750000
ExchangeOperator: pair fraction: ispin=0: 0.1480800433
ExchangeOperator: bisection time: 1.875 s
total exchange = -52.3766130312 (a.u.)
total exchange computation time: 2.8439638615 s
678.79346972
-1084.05485523
89.88102235
-388.83550870
-174.79663994
78.41144836
551.60419304
0.00000000
-931.38912483
4.54712858 -31.06304428 -3.48943094
-0.00004445 -0.00025218 -0.00000483
-0.00752128 0.01179628 0.00863406
-11.61773675 2.15133964 -9.23160596
0.00011512 0.00002493 0.00014242
-0.00898518 -0.00446736 -0.00411029
-36.18740219 1.42481983 3.21332248
0.00008038 -0.00014233 0.00033330
0.02813945 0.02905737 0.00268575
-7.36800858 -3.45509276 2.65065537
0.00017034 0.00002802 0.00005052
-0.02242435 -0.00405899 -0.00955516
2.24438054 -0.01638340 9.09492068
0.00008300 -0.00028213 -0.00002407
0.00897784 -0.00996193 -0.01186123
-31.08139331 1.60073790 2.54751318
-0.00002744 0.00035365 -0.00008620
-0.03882047 -0.01266931 0.01667611
16.80807735 13.13791996 -18.39499964
-0.00031355 -0.00014987 -0.00042161
-0.02815411 0.03149334 -0.01348467
-3.46038306 5.05108651 5.45926782
-0.00005265 -0.00007880 -0.00010291
0.01169086 0.01010769 -0.01371891
5.63917545 17.03302710 -7.09339967
-0.00019426 -0.00002641 -0.00023420
0.02070196 0.03981974 0.05716367
7.25593233 5.80747107 -20.80284948
0.00021251 0.00023601 0.00005844
0.02579904 0.00795108 -0.04592009
18.62880242 19.56094681 -5.19054276
0.00015095 -0.00012874 -0.00028709
-0.00671456 -0.03782747 -0.02815468
1.98787108 14.14214195 -21.24488509
0.00007922 0.00031665 -0.00002759
-0.02724944 -0.01315831 -0.01146686
10.56668786 -5.28536845 0.41805352
0.00023791 -0.00010537 0.00001677
0.01316946 -0.01492567 0.01411320
-17.70557088 -4.40599581 5.34969494
0.00056445 -0.00051955 0.00004246
-0.02649619 -0.02717891 -0.00177380
-14.31153261 -1.31450115 20.70839828
-0.00007791 0.00018696 0.00006348
-0.00045775 -0.01090293 0.03669165
1.60635667 3.71711773 -4.06233120
0.00002088 -0.00004217 -0.00007632
0.01069408 0.01926369 -0.02497287
21.21278519 -10.57965063 -4.43851239
-0.00032176 0.00001898 0.00024568
-0.02618709 -0.00149083 -0.01426627
3.09170473 -10.54913820 7.64279910
0.00020647 -0.00023911 -0.00037405
-0.00187518 0.00683476 -0.01127404
-1.99827122 -1.78696576 -19.84919065
-0.00021098 -0.00010199 -0.00032802
-0.00498498 0.01215336 0.03786654
-0.68492302 3.79061975 -10.58618876
-0.00038507 0.00026990 -0.00022051
-0.00066948 -0.01572883 0.05850894
-4.93399634 14.76597457 14.38329513
0.00009895 0.00028370 -0.00011363
0.00239173 0.02619447 0.01806487
-5.27261750 2.78438670 -7.09103693
0.00018601 0.00000418 0.00027828
0.00592587 -0.00712882 -0.01342903
-9.19542378 0.94361620 -4.04660154
0.00025886 0.00005206 -0.00025126
-0.00605917 -0.02176471 -0.00066099
2.84652182 27.47486607 5.78660094
-0.00006577 -0.00004780 0.00007834
0.01714735 0.03744877 0.04480354
9.75224125 -10.82706255 -1.45960039
-0.00024150 0.00011176 0.00001733
-0.00626636 0.00231919 -0.00163737
-6.77084246 1.03218217 9.26586736
-0.00005983 -0.00015549 -0.00011767
-0.02692623 0.02811024 0.00874956
20.19440669 10.74891932 6.90990661
0.00007894 -0.00017443 -0.00002545
-0.06498697 -0.00570933 -0.02050319
-3.06812291 1.03171841 -23.97707400
0.00021527 -0.00013194 -0.00024325
-0.02980527 -0.01641198 0.03026984
-13.50193238 8.66350346 8.77589468
0.00021652 -0.00024194 0.00022009
-0.02214082 -0.01703680 -0.02470324
-13.66544408 5.94409543 -3.54717604
-0.00014392 -0.00022798 -0.00019318
0.00175529 0.01712942 -0.00297658
-2.56937590 -15.48181864 20.53683593
-0.00048891 -0.00011195 0.00005595
-0.00280657 0.00409312 0.00532002
-5.91868597 7.97046498 -7.87166952
0.00018271 0.00032623 0.00011652
-0.00186614 -0.03807751 0.01316197
-19.55789206 30.25754025 0.86918789
0.00020764 -0.00002742 -0.00008061
-0.00521347 0.03265387 0.00783401
9.88339177 3.78980805 7.92954114
0.00006608 -0.00013789 -0.00014947
-0.01243177 0.01222176 -0.01429200
7.26713229 16.20108595 -11.55106617
-0.00000001 0.00011344 0.00007013
0.00448054 0.00566972 -0.01790834
13.49273213 4.74187144 -1.27042860
-0.00010184 -0.00051478 -0.00002179
-0.01131834 0.03418270 -0.01258774
-5.98681415 11.69609048 -1.71691036
0.00035812 0.00009479 0.00054247
0.00582152 0.00617241 -0.00993356
7.67739924 12.53078530 5.26597191
-0.00035702 0.00005642 0.00002064
-0.01634173 -0.03554521 0.01242674
21.32501660 -11.84859759 -9.40085268
-0.00044966 0.00030275 0.00016433
-0.04822185 0.02014133 -0.00350968
19.67648069 -5.78697241 -0.82505179
-0.00020157 0.00026341 0.00030456
0.01104375 -0.00145462 0.01172112
15.09847983 8.02011875 9.00249168
0.00048864 -0.00002168 0.00049012
-0.00427923 0.00460080 0.00753928
3.81787531 -13.76383375 16.35714084
-0.00012266 -0.00004482 0.00001956
-0.01054992 -0.03784324 0.01194773
-2.57709655 -2.23059573 -13.53572675
-0.00002241 0.00017235 0.00022312
-0.03567866 -0.01864294 0.01001716
15.48657095 -7.42994294 -13.17442137
-0.00018434 -0.00000108 0.00000374
-0.00331536 0.00576829 0.01354764
9.85549925 -3.84234516 6.50034729
0.00025553 -0.00021438 -0.00026860
-0.01457899 0.01467370 0.03764071
-19.44415380 1.39696436 24.83228399
-0.00013439 -0.00005076 0.00003924
0.03074710 0.03427457 0.00599420
24.03694958 -1.03415102 -7.35942448
-0.00030715 0.00019632 -0.00003730
-0.01218473 0.01808883 0.00395791
11.65794916 -10.27378365 -11.36789984
0.00009578 0.00041881 -0.00008439
0.00378324 -0.00454884 0.01009773
-8.99353088 -10.63661749 16.26379202
-0.00039190 0.00021173 -0.00035096
0.01008957 -0.00168432 0.00456557
7.09592858 1.57013472 -27.94128038
0.00018430 -0.00015576 -0.00011192
0.02028379 -0.00840241 -0.01647369
12.58701877 18.48927488 12.73983884
-0.00011652 -0.00034785 -0.00027675
0.04608215 -0.00516397 -0.01250258
26.07165329 7.54767749 -11.05251517
0.00021042 -0.00001901 0.00007766
-0.01178334 -0.00343292 0.02049538
5.00564847 -29.82824061 -4.78701381
-0.00039754 0.00024957 0.00046019
0.00009041 -0.00018924 -0.00170404
3.84372310 -30.04982813 -2.08314143
-0.00007404 -0.00081482 -0.00003087
0.00843247 -0.01594802 -0.00743348
-9.97036499 2.62094232 -8.66552560
0.00105790 0.00092248 0.00045659
0.00542769 0.00084911 0.00172424
-11.78822366 2.60224198 -11.00469430
0.00012079 0.00034860 0.00006954
0.00052759 0.00328669 -0.00300653
-36.69367474 3.25818392 2.97035815
-0.00014527 0.00115456 -0.00065392
0.00872252 -0.01210832 -0.01279378
-37.71994093 0.66952379 3.59479381
-0.00050566 0.00079018 -0.00104548
-0.04234163 -0.02249149 0.00795729
-8.91836094 -3.89300053 1.61817575
-0.00047163 0.00025521 0.00077057
0.02303898 -0.00163295 0.01401638
-6.50029683 -5.04540762 2.88992398
-0.00050425 -0.00026494 0.00006485
-0.00212900 -0.00101869 -0.00240254
2.98868446 -0.08343239 7.42041377
-0.00008709 -0.00004520 0.00128758
0.00170899 -0.00293935 0.00621861
1.49982070 1.62709381 9.20730745
-0.00090763 -0.00008681 -0.00004636
-0.01013131 0.00773763 0.00367136
-30.06639188 0.14682806 2.95421306
-0.00040482 -0.00050699 0.00042823
0.00863343 -0.00967761 -0.00326792
-32.87767409 0.91464135 2.81188686
-0.00006110 0.00000754 0.00010119
0.03211720 0.02149518 -0.00645657
15.80091633 11.64937236 -18.51377750
0.00084720 0.00103466 0.00003588
-0.01188409 -0.01017180 -0.00008391
18.31429046 12.59226201 -17.66030747
0.00028469 0.00012203 -0.00023304
0.03543046 -0.01546532 0.02098878
-2.86854496 6.65630421 6.16543791
-0.00001126 -0.00023984 0.00016045
-0.00446737 -0.00596965 -0.00149402
-2.69017237 5.03190231 3.78016855
0.00081972 -0.00056893 -0.00080847
-0.00595793 -0.00169266 0.01129047
6.40460658 16.44184893 -8.61750367
0.00094939 0.00020927 0.00100545
0.01191220 -0.00691705 -0.02784988
7.03988699 18.06966258 -6.24269620
-0.00052324 -0.00074094 0.00092106
-0.03624261 -0.02770319 -0.02203447
7.77788503 5.53211242 -22.68938690
-0.00087002 0.00043488 -0.00024308
-0.01724619 0.00176988 0.02922642
8.56142670 7.09275305 -20.50856107
-0.00052375 0.00060965 0.00162995
-0.00481697 -0.00188054 0.01572908
19.06363277 21.07930689 -4.39180167
-0.00105891 0.00023355 0.00065749
0.00391479 0.03714201 0.03289938
19.53083182 19.73773856 -6.75428021
0.00007130 -0.00043410 0.00038952
0.00476764 -0.00640245 -0.00452191
1.30880170 12.39923076 -21.15549683
0.00017084 0.00035241 -0.00118779
0.01988167 0.01207398 0.00493899
0.62393222 14.85766385 -22.30695230
-0.00067617 0.00018200 0.00008374
0.00421517 0.00626706 0.01274776
9.84018228 -6.94995417 0.31403947
-0.00020615 0.00017789 0.00089291
0.00445291 -0.00819414 -0.00519105
9.33202659 -4.18584227 -0.25952782
-0.00102007 0.00061099 0.00068093
-0.01701509 0.02253224 -0.01403875
-18.26547046 -5.67433320 6.61077317
0.00019369 -0.00040075 -0.00025133
0.01147114 0.01649437 -0.00570487
-18.78952426 -4.96218481 3.92875370
0.00000623 0.00043155 -0.00030506
0.01457577 0.00812856 0.00693841
-14.50499087 -0.20186942 19.33676635
-0.00029848 -0.00093674 0.00017285
-0.00398108 0.01818957 -0.03648682
-14.60797889 -0.19219813 22.14984425
-0.00050055 0.00006695 0.00011303
0.00454746 -0.00901937 -0.00245685
1.00962623 2.61679606 -2.77601574
-0.00016899 -0.00044907 -0.00084304
-0.00520079 -0.01538957 0.00592251
1.85294552 2.80003833 -5.64381084
-0.00055682 0.00049977 -0.00093813
-0.00445738 -0.00588763 0.01986888
21.25239343 -10.32166018 -6.27769858
-0.00011542 0.00082628 -0.00065241
0.00014244 -0.00439099 0.01070196
22.78004159 -10.02705060 -3.82653022
0.00166176 0.00047653 -0.00098011
0.02621979 0.01198799 0.00821084
4.68831856 -10.37702646 6.73386251
-0.00106204 -0.00018141 0.00017355
-0.00360998 -0.00476207 0.00625180
3.38853179 -11.50257230 9.16238761
-0.00001832 0.00076092 0.00006137
0.00448701 -0.00160016 0.00204582
-1.98831710 -3.40760438 -20.63903462
0.00020536 -0.00015979 0.00036371
-0.00282567 -0.02216747 -0.01438439
-2.95616229 -2.08473493 -18.26535572
0.00119598 0.00008778 0.00000195
0.01028093 0.00812395 -0.02121611
0.91172922 4.71768682 -10.58847663
-0.00015326 -0.00056032 -0.00025189
-0.00810064 -0.00035290 0.00579509
-0.99322271 3.23463858 -8.69820117
0.00128645 0.00051747 -0.00005385
0.00982712 0.02248619 -0.06189782
-4.15066646 15.85075912 15.70498181
-0.00100318 -0.00004325 -0.00032838
-0.00880622 -0.01743599 -0.01909306
-6.71886311 15.17286899 14.61445753
0.00030620 -0.00010460 -0.00087904
0.00735725 -0.00774912 -0.00230159
-6.52947435 2.08802936 -5.92511357
0.00072433 -0.00012949 0.00027575
-0.00129964 -0.00747142 -0.00302844
-5.10083939 1.64204782 -8.55282597
-0.00122406 0.00087459 -0.00021074
-0.01024353 0.01345159 0.01450808
-10.00828251 -0.67573198 -3.68702181
-0.00037112 0.00042964 0.00064361
0.00735053 0.01370782 -0.00314005
-9.80014379 2.16076341 -2.78182766
-0.00070649 0.00048208 0.00066915
0.00699162 0.00125500 -0.00853890
3.50151436 29.01378111 4.94475343
0.00056685 0.00038894 0.00002497
-0.01022614 -0.01757854 -0.00023600
3.08364898 27.94278005 7.64985777
-0.00028250 0.00081469 -0.00073153
-0.00769332 -0.01321882 -0.04123491
7.92364963 -11.15542569 -1.44546980
-0.00116081 -0.00053874 -0.00098232
0.01753164 0.00392459 0.00280601
10.63778887 -11.67812305 -0.03431109
-0.00072608 -0.00117334 -0.00041303
-0.01669521 0.00513592 -0.00799639
-5.40089456 0.00533758 8.78813884
0.00021548 0.00079947 0.00051060
0.02178760 -0.02239521 -0.00853946
-8.33861701 0.11908871 9.09600976
0.00010142 0.00089652 0.00045394
0.00506280 -0.00541142 0.00110804
20.00460709 10.68491137 8.67261631
-0.00143925 -0.00071309 0.00016871
-0.00503332 -0.00219849 0.03151341
21.89800530 10.74571107 6.68307169
-0.00073405 0.00010423 -0.00011280
0.07447606 0.00523655 -0.00956182
-3.00888200 -0.19247368 -22.44433045
-0.00024958 0.00013654 0.00070568
0.00166264 0.02939241 -0.02590262
-4.87671552 1.57637782 -24.00420154
-0.00139903 0.00080160 0.00012220
0.02824981 -0.00896857 -0.00161447
-12.35695991 9.87696168 9.54503146
0.00009149 -0.00058424 -0.00001294
0.00966721 0.00983211 0.00634581
-13.69756616 9.26444125 7.03010699
-0.00083937 -0.00038903 0.00000454
0.00050797 -0.00093165 0.01863760
-14.88985753 4.91844032 -4.42849722
-0.00040416 -0.00030804 -0.00051165
0.00314789 -0.01114689 -0.00674694
-13.60896197 7.52591028 -4.50029044
0.00005486 0.00020976 -0.00105727
-0.00207689 -0.00823153 0.01129728
-4.32124372 -15.90956352 20.55600158
0.00029577 -0.00057542 0.00065274
-0.01340149 -0.00296445 0.00487494
-1.94094300 -16.69766833 19.34548386
-0.00025359 0.00017150 -0.00053245
0.00943191 -0.00028247 -0.00414561
-5.66984143 6.13528209 -7.44296316
-0.00079858 0.00009558 0.00003355
0.00472475 0.01697943 -0.01243087
-7.32679781 8.31311509 -6.73874169
0.00042981 0.00024989 0.00015054
0.00192086 0.01250380 -0.00811231
-20.76080499 28.95539923 1.06243591
0.00003169 -0.00081637 0.00012343
-0.00979278 -0.01540291 -0.00608050
-18.03088754 29.58795269 0.19166696
0.00004344 -0.00013434 -0.00022934
0.00746535 -0.01151473 0.00268181
9.08822235 2.74224568 6.56375373
-0.00012745 0.00072378 0.00063649
0.00926120 0.02381889 0.01972522
9.25799335 5.65089914 7.98969347
0.00052367 -0.00004012 0.00084590
0.01102379 -0.03884147 -0.00036905
7.74037476 17.80396745 -12.35898554
0.00041310 0.00028845 -0.00020880
0.00100673 -0.01639104 0.00761817
8.39753808 14.97949999 -12.33335005
-0.00029715 0.00053392 0.00017181
-0.00364086 0.00490594 0.00745680
12.18177217 6.09722632 -1.19964077
-0.00019477 0.00066660 0.00009777
0.02440510 -0.02743324 0.00589643
13.54049137 3.73500223 0.26611193
-0.00062559 0.00029931 -0.00017094
-0.00661393 0.00290145 0.01149838
-4.68139427 10.46947140 -1.90039710
-0.00036968 0.00028690 -0.00069297
0.02890124 -0.00361192 -0.01458169
-6.91007462 10.83178698 -0.46508145
-0.00043340 0.00046110 0.00088166
-0.02591425 -0.00215625 0.02208589
7.56843439 14.26458825 5.13037361
0.00057617 -0.00044165 0.00047078
-0.00212587 0.05006626 -0.00466815
9.20090130 11.99740962 4.49237716
0.00088808 -0.00035958 0.00014664
0.02126520 -0.00775783 -0.01411586
20.07994355 -13.06616572 -8.78976760
-0.00103652 -0.00046600 0.00021345
0.00369927 0.00540452 -0.00164389
22.85319020 -12.67322677 -9.59217272
-0.00158040 -0.00051797 -0.00118175
0.03623227 -0.02326439 -0.00330598
19.57207830 -4.95789103 -2.42406070
-0.00048732 0.00030106 0.00038146
-0.00199713 0.01110166 -0.01670073
18.36368295 -7.03384325 -0.87048923
0.00028542 -0.00107820 0.00125582
-0.00763844 -0.01280184 0.00189489
13.88578119 9.37882011 9.30696273
-0.00040286 -0.00050053 0.00029800
0.00471087 -0.00669792 -0.00387988
15.56538161 7.56546589 10.72646501
0.00088528 -0.00008232 -0.00045987
0.00151981 0.00219954 0.00006597
3.06980183 -15.21677771 17.37549460
0.00041223 -0.00074530 -0.00057186
0.01016926 0.03139009 -0.01878399
3.19964640 -12.22174492 17.12135889
0.00047901 0.00052235 -0.00081280
0.00319202 -0.00216616 0.00067590
-2.74800951 -3.78235774 -12.53645706
-0.00017603 0.00011621 -0.00038177
0.00606946 0.01432954 -0.01245018
-0.87346602 -2.00558341 -14.02033116
0.00006382 -0.00031639 -0.00075392
0.02606068 0.00312027 0.00401764
15.72975357 -7.54669852 -14.96305856
-0.00020786 -0.00066795 -0.00040313
0.00548256 -0.00566642 -0.01605614
16.97111491 -8.14341623 -12.38164188
0.00102184 0.00022865 -0.00021803
-0.00330486 0.00076559 0.00063645
8.35006480 -3.21523487 5.70520908
-0.00002039 0.00073382 -0.00131444
0.00095717 -0.00671552 -0.01146301
10.96848096 -4.59037931 5.35600534
0.00059954 0.00023797 0.00038200
0.01533817 -0.00646466 -0.02937770
-20.67169803 0.16408431 25.05877742
0.00050426 -0.00113854 -0.00094517
-0.03362087 -0.02605167 0.00329752
-19.69086801 2.73936926 26.12966204
-0.00040157 -0.00007713 -0.00019298
0.00127545 -0.01233568 -0.01273283
25.03787982 -2.50197663 -7.55099170
0.00007234 -0.00013495 0.00049604
0.02149924 -0.02867044 0.01021352
23.71831961 -0.70627720 -9.10009967
0.00049790 0.00101446 -0.00009247
-0.00464954 0.01073192 -0.01756628
12.19827603 -10.78099350 -9.64360918
0.00098888 -0.00079433 -0.00021446
0.00029614 0.01638949 -0.01342152
12.89745097 -9.11400587 -12.16662226
-0.00033051 0.00050812 0.00059646
0.00109474 -0.00515314 0.01306293
-7.46028699 -10.74924254 17.31623034
0.00063558 0.00015121 -0.00000999
-0.00052453 0.00357245 -0.00973909
-10.07044983 -10.01144146 17.57944689
-0.00018931 0.00077239 -0.00068796
-0.02040444 -0.00011426 0.00338121
8.26338300 1.19530391 -29.43172009
0.00044414 0.00019645 0.00023882
-0.00903754 0.01768417 0.02143493
5.49599091 0.91600596 -28.41483520
0.00042771 0.00038808 -0.00005076
-0.01754689 -0.00817884 -0.00488767
13.96102250 19.33208744 13.67991158
0.00010836 0.00042198 0.00043900
-0.02032346 -0.00410086 -0.00408258
13.65505057 17.69569942 11.38783961
0.00091103 -0.00037066 -0.00014801
-0.02390584 0.00760968 0.01724344
27.77713017 7.82104535 -11.59349666
-0.00038025 0.00000027 -0.00053198
0.01942472 0.00157837 -0.01057289
26.22143318 7.69007756 -9.18158268
0.00023163 0.00018826 0.00056551
-0.00398624 0.00131495 -0.00462219
-7.80138037 4.72920955 6.19577783
0.00008380 -0.00000169 0.00013581
-0.00383184 -0.00279981 0.00144810
-10.21028397 9.09046189 3.13131041
0.00032379 -0.00011567 0.00026814
0.00639251 -0.00118463 0.00378650
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.07610688
0.31301796
417.08073324
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0599563953
ExchangeOperator: pair fraction: ispin=0: 0.1492049757
ExchangeOperator: bisection time: 1.877 s
total exchange = -52.3702274430 (a.u.)
total exchange computation time: 2.8730127811 s
-154.0719563149
-931.38781377
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0599563953
ExchangeOperator: pair fraction: ispin=0: 0.1492049757
ExchangeOperator: bisection time: 1.877 s
total exchange = -52.3696514444 (a.u.)
total exchange computation time: 2.8732678890 s
-154.0766905255
Anderson extrapolation: theta=1.3481876538 (1.3481876538)
-931.38804491
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0599563953
ExchangeOperator: pair fraction: ispin=0: 0.1492049757
ExchangeOperator: bisection time: 1.874 s
total exchange = -52.3687735601 (a.u.)
total exchange computation time: 2.8731169701 s
-154.0837367082
Anderson extrapolation: theta=0.0537426259 (0.0537426259)
-931.38818288
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0599563953
ExchangeOperator: pair fraction: ispin=0: 0.1492049757
ExchangeOperator: bisection time: 1.876 s
total exchange = -52.3686446984 (a.u.)
total exchange computation time: 2.8763790131 s
-154.0847017317
Anderson extrapolation: theta=1.9861431191 (1.9861431191)
-931.38818829
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0599563953
ExchangeOperator: pair fraction: ispin=0: 0.1492049757
ExchangeOperator: bisection time: 1.874 s
total exchange = -52.3683616393 (a.u.)
total exchange computation time: 2.8729879856 s
-154.0867646131
Anderson extrapolation: theta=0.2357367244 (0.2357367244)
-931.38819419
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0599563953
ExchangeOperator: pair fraction: ispin=0: 0.1492049757
ExchangeOperator: bisection time: 1.876 s
total exchange = -52.3682862498 (a.u.)
total exchange computation time: 2.8730030060 s
-154.0872580932
Anderson extrapolation: theta=1.8923063974 (1.8923063974)
-931.38819540
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0599563953
ExchangeOperator: pair fraction: ispin=0: 0.1492049757
ExchangeOperator: bisection time: 1.876 s
total exchange = -52.3681637381 (a.u.)
total exchange computation time: 2.8733739853 s
-154.0879868949
Anderson extrapolation: theta=0.2966093578 (0.2966093578)
-931.38819687
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0599563953
ExchangeOperator: pair fraction: ispin=0: 0.1492049757
ExchangeOperator: bisection time: 1.875 s
total exchange = -52.3681490103 (a.u.)
total exchange computation time: 2.8733170033 s
-154.0879990476
Anderson extrapolation: theta=1.3340477473 (1.3340477473)
-931.38819723
20.877509 27.261587 -166.099656
559.934493 1074.798674 -407.713525
580.812002 1102.060261 -573.813181
1371.546925
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0599563953
ExchangeOperator: pair fraction: ispin=0: 0.1492049757
ExchangeOperator: bisection time: 1.876 s
total exchange = -52.3681466500 (a.u.)
total exchange computation time: 2.8766369820 s
678.66789964
-1083.78114930
89.88891132
-389.02143723
-174.77427530
78.25922759
551.60419304
0.00000000
-931.38819752
4.54643277 -31.06678145 -3.48947010
-0.00004817 -0.00024647 -0.00000079
-0.00691364 0.01040383 0.00708147
-11.61604462 2.15169629 -9.22948547
0.00011281 0.00002337 0.00014082
0.00001789 -0.00156495 -0.00214173
-36.18608796 1.42279702 3.21833229
0.00009452 -0.00012572 0.00033436
0.02684940 0.03552660 0.00144652
-7.36553999 -3.45468808 2.65137628
0.00015862 0.00002604 0.00004562
-0.02312948 -0.00364036 -0.00950273
2.24566020 -0.02065378 9.09451390
0.00008599 -0.00028595 -0.00002772
0.00263307 -0.00490193 -0.00231883
-31.08195459 1.60599373 2.54628448
-0.00004687 0.00034590 -0.00007722
-0.03677128 -0.01745936 0.01824321
16.80326557 13.13579345 -18.40137585
-0.00032468 -0.00013119 -0.00042765
-0.01516239 0.04114490 -0.00999203
-3.46112776 5.04994344 5.45767127
-0.00004598 -0.00007385 -0.00011150
0.01426451 0.00915314 -0.01968090
5.63634139 17.03278459 -7.09669220
-0.00018424 -0.00000578 -0.00020383
0.01825932 0.04039830 0.06093440
7.25921950 5.81104186 -20.80215000
0.00022535 0.00023992 0.00003524
0.02411428 0.00727210 -0.04430499
18.63104078 19.55886977 -5.19495764
0.00014703 -0.00014745 -0.00029975
-0.00851662 -0.03492862 -0.02110279
1.98895432 14.14684098 -21.24534310
0.00006471 0.00031029 -0.00003401
-0.02918975 -0.01156638 -0.01350016
10.57030730 -5.28700663 0.41835950
0.00024309 -0.00011126 0.00002307
0.00695958 -0.00796853 0.01040665
-17.69720631 -4.41389397 5.35032505
0.00055060 -0.00053328 0.00004091
-0.02736373 -0.02619629 -0.00427246
-14.31270306 -1.31173883 20.70949196
-0.00007798 0.00018029 0.00008364
0.00017872 -0.01501755 0.04172918
1.60671118 3.71655956 -4.06357236
0.00002664 -0.00003227 -0.00009008
0.01169177 0.01920800 -0.02853071
21.20785783 -10.57937164 -4.43488226
-0.00033187 0.00001970 0.00023787
-0.01312292 0.00427011 -0.01608589
3.09479460 -10.55269847 7.63714484
0.00020314 -0.00023569 -0.00037885
-0.01107011 0.00645462 -0.00738842
-2.00145516 -1.78844877 -19.85396489
-0.00021297 -0.00009524 -0.00030902
-0.00276950 0.01409678 0.03601705
-0.69070163 3.79460758 -10.58927073
-0.00038530 0.00026179 -0.00019044
-0.00023166 -0.01580524 0.05842391
-4.93250290 14.77033116 14.38166035
0.00010019 0.00029621 -0.00010538
0.00244180 0.02242466 0.01403197
-5.26980443 2.78442188 -7.08691456
0.00018923 0.00000107 0.00027140
0.00656391 -0.00494952 -0.01331444
-9.19156423 0.94431308 -4.05037294
0.00025477 0.00004194 -0.00024996
-0.00985657 -0.01756210 0.00572113
2.84560134 27.47429353 5.78794882
-0.00005665 -0.00002772 0.00010007
0.01834754 0.04064611 0.03969863
9.74859460 -10.82537714 -1.45934671
-0.00024638 0.00011252 0.00001652
-0.01270833 0.00062553 -0.00152948
-6.77184383 1.02995824 9.26413613
-0.00007319 -0.00013939 -0.00011267
-0.02500037 0.03449025 0.01069176
20.19534018 10.74628090 6.90944584
0.00004340 -0.00017737 -0.00003489
-0.07322406 -0.00573979 -0.01623718
-3.06500890 1.02967607 -23.98060601
0.00019738 -0.00013980 -0.00022730
-0.03972923 -0.01415474 0.03177247
-13.49877000 8.65980867 8.77910079
0.00020464 -0.00025111 0.00020682
-0.02403902 -0.01863726 -0.02691179
-13.66759615 5.94074179 -3.55008520
-0.00014350 -0.00021834 -0.00019577
-0.00011428 0.02036237 -0.00708221
-2.57672039 -15.48348217 20.53769568
-0.00048881 -0.00010993 0.00005823
0.00318927 0.00378626 0.00356925
-5.91595253 7.97521160 -7.86987096
0.00018190 0.00030644 0.00012316
-0.00126895 -0.03890646 0.01267606
-19.55479752 30.25725493 0.86800900
0.00020378 -0.00001192 -0.00007639
-0.00980182 0.02762609 0.00856208
9.88433501 3.78778683 7.92724394
0.00006047 -0.00013080 -0.00015552
-0.00938148 0.01536662 -0.00924776
7.26714947 16.20280943 -11.55008329
0.00000194 0.00011755 0.00006104
0.00309923 0.01031090 -0.01746142
13.49116094 4.73428167 -1.27080405
-0.00010865 -0.00049559 -0.00002898
-0.01518059 0.04043151 -0.01536126
-5.98141995 11.69753613 -1.70881169
0.00035963 0.00009834 0.00053812
0.00006293 0.00762495 -0.00697777
7.67198091 12.53149449 5.26632938
-0.00036317 0.00003601 0.00002591
-0.00757167 -0.04380435 0.00809695
21.31808562 -11.84397865 -9.39840131
-0.00047624 0.00031239 0.00016326
-0.05511022 0.01735868 -0.00065985
19.67349979 -5.78302692 -0.82043826
-0.00019654 0.00026180 0.00031079
0.00851076 -0.00478158 0.01254120
15.10579291 8.01981133 9.00987254
0.00048587 -0.00001881 0.00049259
-0.00648185 0.00653260 0.00206408
3.81599479 -13.76465195 16.35748039
-0.00012767 -0.00006443 0.00002516
-0.00894420 -0.03844000 0.00983048
-2.57757036 -2.22808239 -13.53234131
-0.00003993 0.00016339 0.00022772
-0.03243940 -0.01618223 0.00786845
15.48379308 -7.42993683 -13.17431297
-0.00018449 0.00000126 0.00001031
0.00274813 0.00333401 0.01199919
9.85927597 -3.84550433 6.49646347
0.00024575 -0.00020582 -0.00024961
-0.02346962 0.01861830 0.03622790
-19.44605100 1.39633524 24.83289567
-0.00011892 -0.00003377 0.00004205
0.02940821 0.03179186 0.00495410
24.03229527 -1.03113639 -7.35996877
-0.00031285 0.00020487 -0.00003544
-0.00997968 0.01514318 0.00329174
11.65940041 -10.26751912 -11.36912672
0.00009744 0.00041560 -0.00007817
0.00270026 -0.00793219 0.01406862
-8.99937043 -10.63344799 16.25854528
-0.00038504 0.00021061 -0.00034799
0.01657459 -0.00268538 0.00697164
7.09877134 1.56776595 -27.94302265
0.00019531 -0.00015966 -0.00011980
0.02252966 -0.00677242 -0.01420065
12.58544876 18.48403726 12.73563937
-0.00009146 -0.00035008 -0.00028285
0.05137419 -0.00352889 -0.01121192
26.07476418 7.54737906 -11.05127117
0.00020364 -0.00002083 0.00008905
-0.01460318 -0.00363383 0.02377521
4.99968810 -29.82450289 -4.78016324
-0.00039665 0.00024884 0.00045174
0.00034736 -0.00016704 -0.00242871
3.84287092 -30.06253916 -2.08383223
-0.00004172 -0.00087724 -0.00005677
0.00738802 -0.01460565 -0.00524511
-9.95433018 2.63480554 -8.65862384
0.00106173 0.00092067 0.00045751
-0.00355287 -0.00173614 -0.00127839
-11.78639563 2.60757172 -11.00374339
0.00012308 0.00036127 0.00005920
0.00059190 0.00291310 -0.00205466
-36.69558651 3.27513133 2.96015732
-0.00010537 0.00109333 -0.00070442
0.01080839 -0.01786766 -0.01192743
-37.72882326 0.68068727 3.57935544
-0.00068054 0.00069764 -0.00101285
-0.04326386 -0.02280918 0.00801597
-8.92472940 -3.88922236 1.63016383
-0.00037707 0.00024851 0.00082718
0.02324854 -0.00164935 0.01369305
-6.50792587 -5.04941295 2.89082306
-0.00051211 -0.00026963 0.00005533
-0.00171517 -0.00127520 -0.00225707
2.98743040 -0.08420050 7.43991798
-0.00007143 -0.00005776 0.00129429
0.00596027 -0.00320699 -0.00293445
1.48589581 1.62602882 9.20672458
-0.00094473 -0.00006452 -0.00003212
-0.00802869 0.00316943 0.00330048
-30.07219965 0.13892662 2.96053643
-0.00037348 -0.00053858 0.00041258
0.00670982 -0.00578713 -0.00439280
-32.87760639 0.91541307 2.81320679
0.00006990 0.00009675 0.00007441
0.03200511 0.02217522 -0.00665230
15.81326012 11.66458053 -18.51324192
0.00078240 0.00096917 0.00003355
-0.01983300 -0.02188583 -0.00105721
18.31964645 12.59361863 -17.66315994
0.00041963 0.00006280 -0.00015217
0.03062669 -0.01352817 0.01859927
-2.86885073 6.65252370 6.16779889
-0.00002879 -0.00026366 0.00015330
-0.00411367 -0.00569059 -0.00200667
-2.67805914 5.02331648 3.76838741
0.00078944 -0.00057452 -0.00074915
-0.00886334 -0.00104455 0.01774718
6.41921241 16.44477599 -8.60327525
0.00100109 0.00017763 0.00088359
0.01339489 -0.00857163 -0.03180558
7.03092774 18.05769954 -6.22955557
-0.00066973 -0.00085173 0.00083180
-0.03546343 -0.02652709 -0.02165918
7.76430626 5.53868981 -22.69213758
-0.00093684 0.00044380 -0.00012314
-0.01546430 0.00259655 0.02948769
8.55342292 7.10184017 -20.48362985
-0.00054265 0.00060057 0.00169064
-0.00443704 -0.00256397 0.01397943
19.04786907 21.08394824 -4.38093118
-0.00104493 0.00037676 0.00078598
0.00292875 0.03296339 0.02999927
19.53204746 19.73103080 -6.74857605
0.00009657 -0.00045749 0.00036303
0.00760262 -0.00504387 -0.00844411
1.31197351 12.40488687 -21.17316234
0.00025190 0.00039883 -0.00116619
0.01979716 0.01065181 0.00563527
0.61391884 14.86058587 -22.30530558
-0.00065499 0.00020727 0.00013811
0.00615397 0.00610506 0.01386684
9.83722650 -6.94753688 0.32727400
-0.00018888 0.00014259 0.00087171
0.00399889 -0.00908697 -0.00518317
9.31620412 -4.17598690 -0.24974408
-0.00107601 0.00069101 0.00063079
-0.01036615 0.01663658 -0.01050545
-18.26221366 -5.67983900 6.60682834
0.00023990 -0.00033546 -0.00027315
0.01115143 0.01546477 -0.00497575
-18.78898413 -4.95546252 3.92439047
0.00006823 0.00046486 -0.00027322
0.01577371 0.00817595 0.00864345
-14.50959008 -0.21536315 19.33824106
-0.00031620 -0.00085454 0.00001477
-0.00469029 0.02204845 -0.04089343
-14.61534778 -0.19147032 22.15146441
-0.00048158 0.00003067 0.00010221
0.00473764 -0.00873707 -0.00283986
1.00693195 2.60958837 -2.78847992
-0.00019178 -0.00051408 -0.00081640
-0.00595238 -0.01643109 0.00712061
1.84445661 2.80735440 -5.65727398
-0.00057541 0.00047782 -0.00085221
-0.00463971 -0.00485719 0.02219147
21.25066650 -10.30940060 -6.28715686
-0.00011691 0.00080530 -0.00059676
-0.00087373 -0.00587506 0.01654374
22.80577140 -10.01953530 -3.84098033
0.00174423 0.00051663 -0.00095454
0.01415293 0.00764063 0.00430917
4.67227740 -10.37989350 6.73665741
-0.00105897 -0.00019864 0.00018933
0.00511144 -0.00367231 0.00147034
3.38839451 -11.49120747 9.16337087
0.00000065 0.00075311 0.00007181
0.00479705 -0.00222627 0.00306445
-1.98532325 -3.41068058 -20.63401969
0.00019366 -0.00025313 0.00030296
-0.00290377 -0.02352072 -0.01535422
-2.93790758 -2.08316926 -18.26597664
0.00123350 0.00012022 -0.00007902
0.00808607 0.00775525 -0.01841807
0.90918203 4.70927121 -10.59207742
-0.00018304 -0.00055918 -0.00023050
-0.00647484 0.00091252 0.00467484
-0.97362479 3.24308965 -8.70090571
0.00132234 0.00060696 -0.00030474
0.00774196 0.02132132 -0.06091276
-4.16598406 15.84957610 15.69947107
-0.00103338 -0.00010787 -0.00039838
-0.00597389 -0.01419561 -0.01517213
-6.71404473 15.17106257 14.60120141
0.00033036 -0.00013522 -0.00088804
0.00447189 -0.00724153 -0.00210640
-6.51864927 2.08585807 -5.92107018
0.00071598 -0.00016112 0.00026617
-0.00278847 -0.00800940 -0.00165786
-5.11951413 1.65557889 -8.55554253
-0.00126413 0.00092657 -0.00015485
-0.00937506 0.01199325 0.01285187
-10.01362403 -0.66886739 -3.67746388
-0.00033969 0.00048499 0.00062901
0.00803547 0.01338979 -0.00400660
-9.81052697 2.16803312 -2.77205200
-0.00067122 0.00047893 0.00062283
0.01027328 -0.00279825 -0.01413822
3.50970380 29.01907655 4.94512078
0.00052196 0.00031075 0.00002572
-0.01175019 -0.02069848 0.00060247
3.07917577 27.95459530 7.63762123
-0.00031354 0.00076037 -0.00089159
-0.00750120 -0.01337033 -0.03711297
7.90677470 -11.16338648 -1.46011862
-0.00107604 -0.00052009 -0.00097061
0.02396322 0.00520539 0.00292707
10.62638607 -11.69556581 -0.04075160
-0.00079407 -0.00115146 -0.00044588
-0.01658841 0.00557667 -0.00808420
-5.39699467 0.01664339 8.79553617
0.00030902 0.00070226 0.00047349
0.02399716 -0.02519073 -0.00962571
-8.33694054 0.13237063 9.10285284
0.00011361 0.00086709 0.00045688
0.00090472 -0.00899428 0.00032959
19.98286408 10.67414768 8.67611260
-0.00145698 -0.00072186 0.00028817
-0.00364531 -0.00209430 0.02696454
21.88927675 10.74743505 6.68108671
-0.00041599 0.00012575 -0.00015145
0.08121438 0.00529429 -0.00935838
-3.01257480 -0.18952487 -22.43453894
-0.00024245 0.00025801 0.00059636
0.00183143 0.03006563 -0.02761078
-4.89683524 1.58812698 -24.00241794
-0.00126399 0.00075853 0.00011570
0.03784915 -0.01211274 -0.00156875
-12.35529133 9.86849943 9.54503182
0.00013355 -0.00054001 0.00001385
0.01092204 0.01181857 0.00676761
-13.71014120 9.25857725 7.03074623
-0.00083581 -0.00039282 0.00008414
0.00123881 -0.00092303 0.02032692
-14.89582342 4.91347815 -4.43637873
-0.00038714 -0.00035067 -0.00053634
0.00518146 -0.00972268 -0.00534033
-13.60820276 7.52880440 -4.51580327
0.00004597 0.00016656 -0.00100508
-0.00227131 -0.01291301 0.01425126
-4.31721780 -15.91828571 20.56594210
0.00023082 -0.00059011 0.00067291
-0.01839178 -0.00422636 0.00499482
-1.94445781 -16.69510454 19.33737012
-0.00021682 0.00017368 -0.00054605
0.00856538 0.00135348 -0.00251115
-5.68167538 6.13723613 -7.44284084
-0.00077771 0.00016475 -0.00001749
0.00549427 0.01687723 -0.01255562
-7.32029173 8.31724667 -6.73673214
0.00043526 0.00030257 0.00011912
0.00074522 0.01327910 -0.00727056
-20.76062969 28.94268165 1.06410108
0.00000062 -0.00086910 0.00009728
-0.00541838 -0.01040654 -0.00672371
-18.03000719 29.58558475 0.18830900
0.00007410 -0.00018111 -0.00021863
0.00754560 -0.01137952 0.00256028
9.08659444 2.75383232 6.57390551
-0.00009490 0.00081396 0.00070789
0.00667187 0.02032283 0.01522750
9.26618621 5.64910718 8.00237063
0.00056764 -0.00019788 0.00084323
0.01049753 -0.03838415 -0.00093725
7.74660212 17.80779188 -12.36188405
0.00041550 0.00021785 -0.00017548
0.00016684 -0.01816562 0.00869100
8.39296928 14.98765918 -12.33054436
-0.00030722 0.00054813 0.00019896
-0.00128661 0.00204952 0.00583338
12.17959847 6.10638465 -1.19799349
-0.00008826 0.00054708 0.00012095
0.02773190 -0.03107117 0.00544878
13.53090492 3.73958074 0.26390015
-0.00065157 0.00030655 -0.00011702
-0.00610769 0.00064324 0.01489491
-4.68605377 10.47366424 -1.91123841
-0.00024723 0.00026550 -0.00075155
0.03103456 -0.00686248 -0.01409619
-6.91736965 10.83863740 -0.45117970
-0.00053217 0.00045578 0.00096434
-0.02243863 -0.00044937 0.01838321
7.57701174 14.25949770 5.13729227
0.00056729 -0.00022656 0.00045157
-0.00221829 0.05522189 -0.00473460
9.21487419 11.99177821 4.49414416
0.00095797 -0.00038562 0.00009787
0.01294308 -0.00498976 -0.00975525
20.06450910 -13.07299012 -8.78661616
-0.00101390 -0.00043465 0.00020301
0.00737162 0.00994354 -0.00347019
22.83059443 -12.68170927 -9.61000021
-0.00142549 -0.00061657 -0.00119744
0.03960017 -0.02499715 -0.00437545
19.56470728 -4.95303491 -2.41885059
-0.00049696 0.00034504 0.00031297
-0.00272090 0.01042385 -0.01682634
18.36773016 -7.05040850 -0.85159383
0.00026081 -0.00112297 0.00126179
-0.00440557 -0.00911689 0.00102594
13.87988267 9.37110692 9.31131386
-0.00038127 -0.00052942 0.00028257
0.00585894 -0.00744624 -0.00367172
15.57870732 7.56429843 10.71956891
0.00089348 -0.00007533 -0.00044928
0.00249724 0.00122356 0.00511863
3.07629694 -15.22699535 17.36634115
0.00045200 -0.00061466 -0.00064627
0.00929872 0.03256017 -0.01763936
3.20692938 -12.21397600 17.10918761
0.00049052 0.00051206 -0.00080797
0.00244105 -0.00287296 0.00168716
-2.75046401 -3.78017544 -12.54256516
-0.00015151 0.00017108 -0.00043006
0.00593345 0.01252844 -0.01118820
-0.87171021 -2.01023362 -14.03151692
0.00016414 -0.00030487 -0.00073566
0.02304796 0.00251910 0.00492194
15.72680374 -7.55689147 -14.96959749
-0.00018708 -0.00069018 -0.00046128
0.00468907 -0.00521123 -0.01240940
16.98634123 -8.13996304 -12.38489287
0.00099804 0.00023637 -0.00021991
-0.00834418 0.00301522 -0.00155353
8.34978830 -3.20443334 5.68514121
-0.00000272 0.00070056 -0.00135377
0.00769292 -0.00956462 -0.00779060
10.97794405 -4.58700791 5.36083519
0.00066656 0.00020910 0.00025774
0.01747126 -0.00766391 -0.03145220
-20.66516437 0.14620794 25.04470088
0.00037109 -0.00123975 -0.00093152
-0.03156533 -0.02349151 0.00338557
-19.69685254 2.73783435 26.12637713
-0.00039778 -0.00012766 -0.00024292
0.00058156 -0.01240062 -0.01171344
25.03962372 -2.50487936 -7.54323806
0.00015456 -0.00024416 0.00053692
0.01874595 -0.02479017 0.00979386
23.72564569 -0.69073145 -9.10202496
0.00048020 0.00105606 -0.00016239
-0.00401696 0.00963298 -0.01666043
12.21311830 -10.79240618 -9.64723736
0.00098760 -0.00072506 -0.00027371
-0.00092485 0.01751553 -0.01558060
12.89252680 -9.10654191 -12.15727503
-0.00032182 0.00049045 0.00064643
0.00315948 -0.00349968 0.01139623
-7.45076938 -10.74686494 17.31578211
0.00062099 0.00016717 -0.00005610
-0.00661832 0.00424058 -0.01283593
-10.07391469 -9.99985913 17.56923111
-0.00027295 0.00077266 -0.00067203
-0.02053784 0.00024687 0.00441417
8.26976822 1.19879260 -29.42748102
0.00040791 0.00026767 0.00032407
-0.00869793 0.01717962 0.02029849
5.50186882 0.92157651 -28.41574630
0.00035022 0.00035212 -0.00007306
-0.02038130 -0.00942334 -0.00603239
13.96202511 19.33829152 13.68637145
0.00001747 0.00039983 0.00041638
-0.02416881 -0.00674179 -0.00698769
13.66798353 17.69037275 11.38614780
0.00081038 -0.00033733 -0.00007424
-0.02536367 0.00870358 0.01886981
27.77202168 7.82109780 -11.60180030
-0.00029608 0.00000748 -0.00057539
0.02177364 0.00195193 -0.01067909
26.22478554 7.69294171 -9.17324160
0.00021571 0.00019367 0.00054071
-0.00380760 0.00133666 -0.00751840
-7.80013361 4.72917674 6.19781882
0.00008243 -0.00000270 0.00013630
-0.00384911 -0.00285756 0.00130270
-10.20541599 9.08872480 3.13533910
0.00032524 -0.00011594 0.00026899
0.00607854 -0.00114583 0.00354289
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.07622108
0.31197644
415.69296300
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0598837209
ExchangeOperator: pair fraction: ispin=0: 0.1491184424
ExchangeOperator: bisection time: 1.696 s
total exchange = -52.3610306826 (a.u.)
total exchange computation time: 2.9269819260 s
-154.0384743058
-931.38667011
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0598837209
ExchangeOperator: pair fraction: ispin=0: 0.1491184424
ExchangeOperator: bisection time: 1.695 s
total exchange = -52.3605351048 (a.u.)
total exchange computation time: 2.9256777763 s
-154.0425223840
Anderson extrapolation: theta=1.3467585100 (1.3467585100)
-931.38690945
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0598837209
ExchangeOperator: pair fraction: ispin=0: 0.1491184424
ExchangeOperator: bisection time: 1.696 s
total exchange = -52.3597804831 (a.u.)
total exchange computation time: 2.9251790047 s
-154.0485582301
Anderson extrapolation: theta=0.0525538060 (0.0525538060)
-931.38705188
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0598837209
ExchangeOperator: pair fraction: ispin=0: 0.1491184424
ExchangeOperator: bisection time: 1.694 s
total exchange = -52.3596699795 (a.u.)
total exchange computation time: 2.9265279770 s
-154.0494064052
Anderson extrapolation: theta=1.9404014849 (1.9404014849)
-931.38705724
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0598837209
ExchangeOperator: pair fraction: ispin=0: 0.1491184424
ExchangeOperator: bisection time: 1.692 s
total exchange = -52.3594322608 (a.u.)
total exchange computation time: 2.9300730228 s
-154.0511872885
Anderson extrapolation: theta=0.2267035606 (0.2267035606)
-931.38706290
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0598837209
ExchangeOperator: pair fraction: ispin=0: 0.1491184424
ExchangeOperator: bisection time: 1.697 s
total exchange = -52.3593716816 (a.u.)
total exchange computation time: 2.9250590801 s
-154.0515981196
Anderson extrapolation: theta=1.8798157877 (1.8798157877)
-931.38706403
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0598837209
ExchangeOperator: pair fraction: ispin=0: 0.1491184424
ExchangeOperator: bisection time: 1.694 s
total exchange = -52.3592768818 (a.u.)
total exchange computation time: 2.9264409542 s
-154.0521825125
Anderson extrapolation: theta=0.2886870850 (0.2886870850)
-931.38706543
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0598837209
ExchangeOperator: pair fraction: ispin=0: 0.1491184424
ExchangeOperator: bisection time: 1.696 s
total exchange = -52.3592696058 (a.u.)
total exchange computation time: 2.9248778820 s
-154.0521652098
Anderson extrapolation: theta=1.3171833871 (1.3171833871)
-931.38706579
20.886601 27.298515 -166.046071
559.871728 1074.833444 -407.765089
580.758329 1102.131959 -573.811160
1371.580964
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0598837209
ExchangeOperator: pair fraction: ispin=0: 0.1491184424
ExchangeOperator: bisection time: 1.606 s
total exchange = -52.3592755502 (a.u.)
total exchange computation time: 2.9250020981 s
678.53790971
-1083.49589644
89.89646615
-389.21519342
-174.75107641
78.10066318
551.60419304
0.00000000
-931.38706596
4.54568362 -31.07043836 -3.48945462
-0.00005151 -0.00024153 0.00000234
-0.00610886 0.00879320 0.00509817
-11.61435235 2.15204086 -9.22738150
0.00011496 0.00002330 0.00014014
0.00834081 0.00127223 -0.00048788
-36.18456660 1.42104828 3.22335326
0.00010752 -0.00010628 0.00033492
0.02370273 0.04005888 0.00072975
-7.36324984 -3.45431148 2.65202389
0.00014667 0.00002428 0.00004082
-0.02334386 -0.00319952 -0.00913600
2.24696017 -0.02496199 9.09408923
0.00008561 -0.00028717 -0.00002633
-0.00410819 0.00016116 0.00769741
-31.08279954 1.61111488 2.54519651
-0.00006505 0.00033575 -0.00006745
-0.03392177 -0.02199316 0.01975267
16.79833682 13.13398435 -18.40782914
-0.00032888 -0.00010760 -0.00043176
-0.00116558 0.05058754 -0.00597894
-3.46176241 5.04887099 5.45592290
-0.00003809 -0.00006944 -0.00012295
0.01639676 0.00799175 -0.02485883
5.63364819 17.03285375 -7.09951463
-0.00017554 0.00001488 -0.00017200
0.01559206 0.03992090 0.06286384
7.26269271 5.81466875 -20.80179232
0.00023728 0.00024351 0.00001303
0.02230789 0.00669203 -0.04207620
18.63321344 19.55652326 -5.19953533
0.00014225 -0.00016432 -0.00030860
-0.01007480 -0.03066677 -0.01329747
1.98981237 14.15145078 -21.24590526
0.00004932 0.00030483 -0.00004141
-0.03065127 -0.00967567 -0.01527736
10.57398043 -5.28870628 0.41874576
0.00024500 -0.00011360 0.00002750
0.00047579 -0.00113749 0.00680676
-17.68905284 -4.42199422 5.35092220
0.00053642 -0.00054636 0.00003808
-0.02779280 -0.02465560 -0.00672135
-14.31387213 -1.30909237 20.71090756
-0.00007776 0.00017175 0.00010599
0.00070830 -0.01820971 0.04516964
1.60715590 3.71614957 -4.06503362
0.00003282 -0.00002249 -0.00010539
0.01232146 0.01883806 -0.03100510
21.20282923 -10.57905971 -4.43137622
-0.00033530 0.00002332 0.00022922
-0.00023090 0.00982864 -0.01757616
3.09779907 -10.55620894 7.63143358
0.00019496 -0.00023253 -0.00038151
-0.02074929 0.00582440 -0.00295274
-2.00466046 -1.78982303 -19.85846126
-0.00021375 -0.00008770 -0.00029124
-0.00025674 0.01521603 0.03310837
-0.69648203 3.79847348 -10.59190198
-0.00038527 0.00025372 -0.00016070
0.00034484 -0.01558397 0.05722258
-4.93099062 14.77486075 14.38013383
0.00010143 0.00030662 -0.00009937
0.00238196 0.01807748 0.00933753
-5.26694073 2.78441888 -7.08289492
0.00019273 -0.00000087 0.00026469
0.00708063 -0.00261489 -0.01276988
-9.18778072 0.94487448 -4.05410021
0.00024884 0.00003395 -0.00024555
-0.01318747 -0.01352386 0.01139797
2.84482241 27.47403455 5.78960296
-0.00004699 -0.00000623 0.00011898
0.01919761 0.04290724 0.03382797
9.74484991 -10.82368690 -1.45910483
-0.00025438 0.00011247 0.00001570
-0.01841662 -0.00083528 -0.00164186
-6.77303807 1.02800039 9.26248738
-0.00008523 -0.00012025 -0.00010680
-0.02182289 0.03993317 0.01212764
20.19570877 10.74359819 6.90885981
0.00000458 -0.00018036 -0.00004206
-0.07772833 -0.00589348 -0.01163409
-3.06220139 1.02752453 -23.98389291
0.00017484 -0.00014650 -0.00021070
-0.04793664 -0.01192881 0.03277645
-13.49579308 8.65597010 8.78209929
0.00019191 -0.00026104 0.00019262
-0.02548845 -0.01996064 -0.02829655
-13.66974911 5.93754523 -3.55304900
-0.00014406 -0.00020722 -0.00020038
-0.00206390 0.02286108 -0.01088129
-2.58404027 -15.48511650 20.53858296
-0.00048576 -0.00010809 0.00005960
0.00868961 0.00336433 0.00172327
-5.91322889 7.97965807 -7.86797460
0.00018141 0.00028634 0.00012949
-0.00064081 -0.03924860 0.01194093
-19.55177860 30.25718273 0.86689615
0.00019764 0.00000092 -0.00007183
-0.01408321 0.02227514 0.00916094
9.88520588 3.78588416 7.92487540
0.00005660 -0.00012211 -0.00015882
-0.00565940 0.01842206 -0.00355335
7.26719056 16.20461246 -11.54923511
0.00000311 0.00012395 0.00005227
0.00142899 0.01456921 -0.01664058
13.48947264 4.72700381 -1.27129801
-0.00011722 -0.00047351 -0.00003749
-0.01815507 0.04540291 -0.01772262
-5.97602527 11.69904060 -1.70076686
0.00035825 0.00010240 0.00053540
-0.00542458 0.00816482 -0.00357076
7.66650416 12.53186573 5.26674932
-0.00036489 0.00001204 0.00002896
0.00088776 -0.04944009 0.00374106
21.31072948 -11.83922579 -9.39595503
-0.00050564 0.00032042 0.00016350
-0.05924534 0.01386865 0.00162568
19.67058454 -5.77911832 -0.81572797
-0.00019285 0.00025851 0.00031732
0.00582326 -0.00803683 0.01284040
15.11305598 8.01955432 9.01726932
0.00048203 -0.00001500 0.00049220
-0.00845758 0.00829788 -0.00355766
3.81404526 -13.76576671 16.35789578
-0.00013179 -0.00008416 0.00002958
-0.00709758 -0.03825926 0.00734344
-2.57829443 -2.22569389 -13.52889517
-0.00005554 0.00015585 0.00023106
-0.02826461 -0.01315986 0.00512838
15.48103640 -7.42990500 -13.17411201
-0.00018160 0.00000239 0.00001593
0.00848639 0.00105880 0.00984838
9.86287164 -3.84851987 6.49285914
0.00023179 -0.00019546 -0.00023157
-0.03080796 0.02169495 0.03391526
-19.44772133 1.39595137 24.83354556
-0.00010443 -0.00001850 0.00004429
0.02691520 0.02756188 0.00374524
24.02756396 -1.02800494 -7.36048766
-0.00031731 0.00021175 -0.00003408
-0.00734044 0.01161643 0.00199990
11.66087249 -10.26131579 -11.37024507
0.00009851 0.00041065 -0.00007002
0.00143763 -0.01131769 0.01765979
-9.00508211 -10.63029920 16.25335232
-0.00037509 0.00020903 -0.00034381
0.02211584 -0.00345961 0.00929615
7.10178791 1.56534493 -27.94487448
0.00020720 -0.00016277 -0.00012645
0.02369185 -0.00532620 -0.01163859
12.58427507 18.47877243 12.73135340
-0.00006398 -0.00035148 -0.00028824
0.05548191 -0.00192015 -0.00974869
26.07776241 7.54705259 -11.04984375
0.00019560 -0.00002272 0.00010197
-0.01665098 -0.00371963 0.02649598
4.99374902 -29.82077540 -4.77346151
-0.00039478 0.00024811 0.00044053
0.00056490 -0.00019226 -0.00305939
3.84247151 -30.07614532 -2.08484448
-0.00001403 -0.00093361 -0.00007302
0.00616636 -0.01298670 -0.00271147
-9.93851311 2.64856235 -8.65180042
0.00103024 0.00090850 0.00044661
-0.01186201 -0.00421866 -0.00405526
-11.78453132 2.61307998 -11.00291840
0.00012566 0.00037233 0.00005294
0.00067021 0.00250302 -0.00100711
-36.69683587 3.29098370 2.94922549
-0.00005761 0.00101023 -0.00075131
0.01257152 -0.02280763 -0.01102417
-37.74035707 0.69045285 3.56440834
-0.00085471 0.00060612 -0.00098106
-0.04199291 -0.02198962 0.00754552
-8.92967304 -3.88554527 1.64299110
-0.00028270 0.00024160 0.00088177
0.02294585 -0.00173367 0.01303161
-6.51566002 -5.05349643 2.89158382
-0.00051824 -0.00027524 0.00004644
-0.00128924 -0.00147325 -0.00209209
2.98654163 -0.08516516 7.45924234
-0.00003785 -0.00007130 0.00126266
0.01047817 -0.00341971 -0.01254746
1.47147887 1.62515808 9.20634399
-0.00097299 -0.00006104 -0.00001947
-0.00580440 -0.00146571 0.00288942
-30.07759621 0.13067051 2.96659057
-0.00035008 -0.00055408 0.00039226
0.00474246 -0.00179907 -0.00555754
-32.87557723 0.91754383 2.81411904
0.00019884 0.00018799 0.00004708
0.03111214 0.02248991 -0.00672328
15.82438842 11.67844741 -18.51277113
0.00068535 0.00085573 0.00002745
-0.02767419 -0.03364187 -0.00192440
18.32687942 12.59414616 -17.66487254
0.00053258 0.00001209 -0.00008204
0.02466078 -0.01129766 0.01572931
-2.86940862 6.64839443 6.17003689
-0.00004473 -0.00028590 0.00014428
-0.00369056 -0.00519821 -0.00240640
-2.66648911 5.01466664 3.75769393
0.00074800 -0.00057741 -0.00066524
-0.01142073 -0.00036981 0.02333077
6.43463916 16.44717773 -8.59099608
0.00105765 0.00014020 0.00074806
0.01429462 -0.00974696 -0.03453738
7.01979507 18.04411075 -6.21774234
-0.00081132 -0.00095640 0.00074531
-0.03384747 -0.02471197 -0.02067788
7.74977974 5.54542634 -22.69308107
-0.00099602 0.00045590 -0.00000326
-0.01350441 0.00332976 0.02919320
8.54514720 7.11077015 -20.45784189
-0.00056002 0.00058871 0.00174405
-0.00406672 -0.00324056 0.01216732
19.03228487 21.09060979 -4.36822215
-0.00103539 0.00050000 0.00090080
0.00174284 0.02736248 0.02620592
19.53372904 19.72401392 -6.74338940
0.00013335 -0.00047524 0.00032084
0.01039864 -0.00364489 -0.01220464
1.31635862 12.41119579 -21.19048248
0.00033216 0.00043863 -0.00114184
0.01949176 0.00882894 0.00628424
0.60428261 14.86388205 -22.30280901
-0.00062642 0.00023203 0.00019660
0.00782813 0.00601306 0.01476668
9.83451579 -6.94567650 0.34019088
-0.00017334 0.00010421 0.00085058
0.00360852 -0.00969792 -0.00515998
9.29974634 -4.16511193 -0.24060417
-0.00110433 0.00074662 0.00059488
-0.00349765 0.01058204 -0.00707142
-18.25827343 -5.68439703 6.60257856
0.00028439 -0.00027514 -0.00029131
0.01062424 0.01406367 -0.00391116
-18.78747730 -4.94823916 3.92055697
0.00013450 0.00049796 -0.00023518
0.01666477 0.00803042 0.00998192
-14.51447675 -0.22750561 19.33720958
-0.00033647 -0.00075893 -0.00015844
-0.00523490 0.02475464 -0.04389679
-14.62242633 -0.19127797 22.15291051
-0.00046195 -0.00000398 0.00009023
0.00487065 -0.00822512 -0.00302420
1.00387287 2.60137368 -2.80050770
-0.00021706 -0.00058222 -0.00078601
-0.00642362 -0.01692332 0.00775442
1.83568336 2.81437278 -5.66937709
-0.00059450 0.00045960 -0.00075782
-0.00470570 -0.00406134 0.02401465
21.24888602 -10.29750108 -6.29560124
-0.00012249 0.00077845 -0.00051880
-0.00185526 -0.00726929 0.02161502
22.83236859 -10.01155173 -3.85516635
0.00177768 0.00053918 -0.00094402
0.00221737 0.00339810 0.00084111
4.65654951 -10.38298559 6.73954242
-0.00101909 -0.00021119 0.00018477
0.01440723 -0.00247384 -0.00370466
3.38855122 -11.47997909 9.16454194
0.00002072 0.00074301 0.00008602
0.00503085 -0.00271697 0.00389259
-1.98250736 -3.41519828 -20.62994576
0.00018156 -0.00035005 0.00023916
-0.00301710 -0.02391998 -0.01587810
-2.91915730 -2.08112830 -18.26772632
0.00126151 0.00015091 -0.00014725
0.00562313 0.00726927 -0.01498280
0.90623802 4.70091152 -10.59539170
-0.00020600 -0.00055274 -0.00021386
-0.00476380 0.00223598 0.00347405
-0.95355241 3.25284743 -8.70734337
0.00134932 0.00069093 -0.00054912
0.00546500 0.01978008 -0.05871083
-4.18166777 15.84752308 15.69303049
-0.00105135 -0.00015812 -0.00045096
-0.00282511 -0.01040498 -0.01056727
-6.70895228 15.16881235 14.58781619
0.00034232 -0.00016370 -0.00089627
0.00138298 -0.00669917 -0.00191886
-6.50799507 2.08319591 -5.91712840
0.00070175 -0.00019478 0.00026207
-0.00417542 -0.00847120 -0.00034908
-5.13876343 1.66984499 -8.55747144
-0.00130062 0.00097207 -0.00010652
-0.00848571 0.01027947 0.01080717
-10.01847309 -0.66118218 -3.66815151
-0.00030590 0.00053822 0.00061111
0.00850203 0.01266472 -0.00475671
-9.82028053 2.17513133 -2.76314282
-0.00062305 0.00046036 0.00055485
0.01330663 -0.00629091 -0.01913684
3.51717312 29.02310346 4.94552505
0.00047134 0.00022101 0.00002928
-0.01302909 -0.02322521 0.00114082
3.07424283 27.96559114 7.62311018
-0.00034354 0.00070617 -0.00103258
-0.00718451 -0.01316232 -0.03190619
7.89136838 -11.17102824 -1.47458805
-0.00096695 -0.00049643 -0.00095830
0.02943983 0.00637577 0.00309992
10.61396664 -11.71266680 -0.04768756
-0.00086127 -0.00112801 -0.00047873
-0.01630570 0.00590302 -0.00799291
-5.39162408 0.02640536 8.80234358
0.00040925 0.00059552 0.00043288
0.02506757 -0.02706063 -0.01025255
-8.33520861 0.14510132 9.10971613
0.00010856 0.00082307 0.00045673
-0.00337974 -0.01255405 -0.00040116
19.96089767 10.66325564 8.68126146
-0.00146846 -0.00073001 0.00038704
-0.00197326 -0.00189686 0.02143047
21.88552552 10.74948350 6.67852819
-0.00007862 0.00014757 -0.00018797
0.08393017 0.00538875 -0.00852010
-3.01615537 -0.18473345 -22.42643959
-0.00023452 0.00038115 0.00048122
0.00204636 0.03021267 -0.02875371
-4.91463532 1.59913380 -24.00073048
-0.00109342 0.00070369 0.00010920
0.04564706 -0.01473539 -0.00161152
-12.35295339 9.86076150 9.54544693
0.00017993 -0.00048848 0.00004188
0.01178231 0.01340574 0.00695254
-13.72264032 9.25265669 7.03263124
-0.00082936 -0.00039624 0.00016947
0.00191595 -0.00074966 0.02144207
-14.90147175 4.90792012 -4.44458753
-0.00036166 -0.00038730 -0.00055515
0.00729375 -0.00820381 -0.00386466
-13.60758274 7.53090713 -4.53044269
0.00003632 0.00010559 -0.00094163
-0.00245647 -0.01693105 0.01680606
-4.31431904 -15.92726692 20.57618874
0.00014675 -0.00060983 0.00069354
-0.02276409 -0.00542567 0.00510699
-1.94744769 -16.69245781 19.32910249
-0.00018382 0.00018267 -0.00055279
0.00759073 0.00304621 -0.00078979
-5.69317261 6.14022450 -7.44348800
-0.00075369 0.00023259 -0.00006869
0.00626098 0.01633244 -0.01250545
-7.31373998 8.32219206 -6.73516816
0.00043580 0.00035831 0.00009129
-0.00048366 0.01400699 -0.00635273
-20.76078647 28.92932629 1.06535419
-0.00001249 -0.00090108 0.00006845
-0.00099877 -0.00524663 -0.00738584
-18.02866440 29.58251940 0.18510796
0.00010439 -0.00022695 -0.00020810
0.00727892 -0.01105846 0.00259656
9.08537543 2.76666447 6.58499054
-0.00007393 0.00088871 0.00075944
0.00359365 0.01626865 0.01000690
9.27502243 5.64496280 8.01499035
0.00060900 -0.00035248 0.00083825
0.00975154 -0.03729611 -0.00149828
7.75283971 17.81050301 -12.36424991
0.00041474 0.00014121 -0.00013832
-0.00053736 -0.01935308 0.00949902
8.38832162 14.99594397 -12.32738116
-0.00030733 0.00055025 0.00021924
0.00122823 -0.00101512 0.00409400
12.17912436 6.11363876 -1.19601228
0.00002994 0.00041460 0.00014226
0.03012898 -0.03377822 0.00498395
13.52094415 3.74419867 0.26260122
-0.00067548 0.00030497 -0.00005000
-0.00559671 -0.00141373 0.01791310
-4.68881129 10.47743650 -1.92294362
-0.00011785 0.00023221 -0.00080784
0.03229789 -0.00943304 -0.01345613
-6.92603985 10.84546028 -0.43615132
-0.00061533 0.00045801 0.00103042
-0.01826774 0.00154396 0.01396316
7.58545313 14.25779149 5.14392077
0.00055853 0.00000418 0.00043251
-0.00207100 0.05772404 -0.00459681
9.22964031 11.98584101 4.49531329
0.00099398 -0.00040039 0.00006662
0.00468530 -0.00224053 -0.00554284
20.04952643 -13.07920511 -8.78367739
-0.00097729 -0.00038574 0.00018567
0.01055171 0.01399716 -0.00501497
22.81042560 -12.69172375 -9.62809586
-0.00126148 -0.00071977 -0.00121698
0.04068000 -0.02552020 -0.00518894
19.55716950 -4.94753996 -2.41467170
-0.00050946 0.00038557 0.00024519
-0.00339570 0.00942026 -0.01635153
18.37150736 -7.06753248 -0.83263556
0.00024966 -0.00115215 0.00126406
-0.00105507 -0.00516641 0.00008695
13.87434321 9.36293739 9.31543996
-0.00035536 -0.00056097 0.00026807
0.00682396 -0.00799479 -0.00342860
15.59218607 7.56320596 10.71298651
0.00090582 -0.00007239 -0.00041797
0.00354191 0.00021774 0.01021053
3.08336194 -15.23521750 17.35610664
0.00048761 -0.00048071 -0.00071510
0.00813096 0.03300772 -0.01605438
3.21436196 -12.20638315 17.09711974
0.00049906 0.00049880 -0.00079915
0.00174175 -0.00361724 0.00263223
-2.75255488 -3.77722532 -12.54935893
-0.00012778 0.00021749 -0.00047252
0.00568169 0.01018906 -0.00959672
-0.86854188 -2.01472944 -14.04240102
0.00025041 -0.00029585 -0.00071313
0.01918405 0.00189533 0.00610558
15.72414128 -7.56740378 -14.97689696
-0.00016961 -0.00071047 -0.00050381
0.00385884 -0.00472076 -0.00841151
17.00105617 -8.13632505 -12.38823907
0.00095439 0.00025282 -0.00023026
-0.01302600 0.00503703 -0.00351579
8.34998328 -3.19421798 5.66459590
0.00004127 0.00065605 -0.00137840
0.01383979 -0.01222272 -0.00426265
10.98847789 -4.58410620 5.36373746
0.00074030 0.00017676 0.00012724
0.01862163 -0.00816645 -0.03242506
-20.66056523 0.12689187 25.03083182
0.00024881 -0.00132768 -0.00091786
-0.02829185 -0.01955020 0.00329935
-19.70280142 2.73553945 26.12237435
-0.00039697 -0.00017769 -0.00028798
-0.00018558 -0.01209159 -0.01034401
25.04251648 -2.50930139 -7.53488420
0.00022436 -0.00033582 0.00057599
0.01542301 -0.02008005 0.00933061
23.73272558 -0.67459534 -9.10497131
0.00046541 0.00109269 -0.00022720
-0.00322456 0.00829708 -0.01506469
12.22790390 -10.80274540 -9.65182041
0.00098146 -0.00065153 -0.00034077
-0.00207727 0.01848104 -0.01724764
12.88779626 -9.09929242 -12.14722937
-0.00030450 0.00047986 0.00068930
0.00532011 -0.00168247 0.00958881
-7.44165738 -10.74422746 17.31454721
0.00058261 0.00018582 -0.00011394
-0.01216791 0.00488816 -0.01547632
-10.07863824 -9.98826167 17.55928585
-0.00035630 0.00077398 -0.00065269
-0.02026351 0.00039994 0.00505699
8.27562038 1.20333415 -29.42199793
0.00037372 0.00033651 0.00040376
-0.00803918 0.01651500 0.01870933
5.50649764 0.92656955 -28.41702711
0.00026274 0.00031175 -0.00009967
-0.02244514 -0.01033653 -0.00699003
13.96154651 19.34408242 13.69240306
-0.00008768 0.00036765 0.00038276
-0.02729947 -0.00900994 -0.00947244
13.67936204 17.68557949 11.38561245
0.00070477 -0.00030024 0.00000492
-0.02633425 0.00945255 0.01988083
27.76824762 7.82126987 -11.61075843
-0.00020400 0.00001598 -0.00061872
0.02330480 0.00220549 -0.01052962
26.22790455 7.69588778 -9.16536130
0.00020068 0.00019918 0.00050469
-0.00355052 0.00135958 -0.01011728
-7.79890751 4.72912859 6.19986679
0.00008105 -0.00000373 0.00013674
-0.00385656 -0.00291918 0.00116030
-10.20052684 9.08698372 3.13938014
0.00032661 -0.00011620 0.00026978
0.00576242 -0.00112558 0.00326194
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.07628626
0.31077970
414.09837310
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0598837209
ExchangeOperator: pair fraction: ispin=0: 0.1491184424
ExchangeOperator: bisection time: 1.515 s
total exchange = -52.3517133452 (a.u.)
total exchange computation time: 2.9292130470 s
-154.0043534364
-931.38563449
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0598837209
ExchangeOperator: pair fraction: ispin=0: 0.1491184424
ExchangeOperator: bisection time: 1.516 s
total exchange = -52.3512992301 (a.u.)
total exchange computation time: 2.9260261059 s
-154.0077169538
Anderson extrapolation: theta=1.3435786422 (1.3435786422)
-931.38588063
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0598837209
ExchangeOperator: pair fraction: ispin=0: 0.1491184424
ExchangeOperator: bisection time: 1.515 s
total exchange = -52.3506644411 (a.u.)
total exchange computation time: 2.9240810871 s
-154.0127683078
Anderson extrapolation: theta=0.0516509753 (0.0516509753)
-931.38602675
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0598837209
ExchangeOperator: pair fraction: ispin=0: 0.1491184424
ExchangeOperator: bisection time: 1.515 s
total exchange = -52.3505669332 (a.u.)
total exchange computation time: 2.9265639782 s
-154.0135268618
Anderson extrapolation: theta=1.9301521885 (1.9301521885)
-931.38603216
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0598837209
ExchangeOperator: pair fraction: ispin=0: 0.1491184424
ExchangeOperator: bisection time: 1.514 s
total exchange = -52.3503566189 (a.u.)
total exchange computation time: 2.9240851402 s
-154.0151218284
Anderson extrapolation: theta=0.2243378003 (0.2243378003)
-931.38603777
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0598837209
ExchangeOperator: pair fraction: ispin=0: 0.1491184424
ExchangeOperator: bisection time: 1.511 s
total exchange = -52.3503028835 (a.u.)
total exchange computation time: 2.9262831211 s
-154.0154883577
Anderson extrapolation: theta=1.8788499947 (1.8788499947)
-931.38603887
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0598837209
ExchangeOperator: pair fraction: ispin=0: 0.1491184424
ExchangeOperator: bisection time: 1.513 s
total exchange = -52.3502195515 (a.u.)
total exchange computation time: 2.9249801636 s
-154.0159992976
Anderson extrapolation: theta=0.2847779671 (0.2847779671)
-931.38604023
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0598837209
ExchangeOperator: pair fraction: ispin=0: 0.1491184424
ExchangeOperator: bisection time: 1.514 s
total exchange = -52.3502143571 (a.u.)
total exchange computation time: 2.9260230064 s
-154.0159690793
Anderson extrapolation: theta=1.3085286569 (1.3085286569)
-931.38604058
20.907212 27.332681 -165.999814
559.812985 1074.865787 -407.819901
580.720197 1102.198468 -573.819715
1371.621842
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0598837209
ExchangeOperator: pair fraction: ispin=0: 0.1491184424
ExchangeOperator: bisection time: 1.514 s
total exchange = -52.3502219184 (a.u.)
total exchange computation time: 2.9247980118 s
678.40639564
-1083.20569054
89.90355000
-389.41241462
-174.72765944
77.93927281
551.60419304
0.00000000
-931.38604088
4.54488734 -31.07402743 -3.48939981
-0.00005440 -0.00023747 0.00000436
-0.00512974 0.00699778 0.00273190
-11.61259573 2.15239525 -9.22528130
0.00012117 0.00002465 0.00014022
0.01578922 0.00396575 0.00080241
-36.18286238 1.41960858 3.22837986
0.00011843 -0.00008498 0.00033522
0.01874313 0.04278677 0.00043621
-7.36113978 -3.45395957 2.65260101
0.00013474 0.00002275 0.00003630
-0.02305244 -0.00274539 -0.00846876
2.24822845 -0.02926895 9.09372394
0.00008173 -0.00028584 -0.00001978
-0.01098644 0.00502211 0.01778023
-31.08390620 1.61606635 2.54426093
-0.00008158 0.00032338 -0.00005694
-0.03035457 -0.02611201 0.02112730
16.79339908 13.13256553 -18.41432856
-0.00032585 -0.00007937 -0.00043376
0.01296529 0.05917980 -0.00181839
-3.46227056 5.04786020 5.45398275
-0.00002922 -0.00006568 -0.00013686
0.01810611 0.00665400 -0.02921602
5.63107528 17.03323088 -7.10185209
-0.00016824 0.00003498 -0.00013969
0.01279746 0.03825039 0.06276235
7.26633801 5.81834727 -20.80175925
0.00024826 0.00024683 -0.00000789
0.02039026 0.00621637 -0.03924291
18.63530837 19.55394017 -5.20421560
0.00013673 -0.00017874 -0.00031333
-0.01141866 -0.02540508 -0.00511798
1.99043395 14.15598593 -21.24658527
0.00003331 0.00030041 -0.00004965
-0.03161616 -0.00751819 -0.01676877
10.57765722 -5.29041471 0.41918454
0.00024358 -0.00011254 0.00003014
-0.00598989 0.00525460 0.00345659
-17.68111378 -4.43028468 5.35146749
0.00052213 -0.00055850 0.00003402
-0.02775379 -0.02256015 -0.00908820
-14.31503574 -1.30658640 20.71267164
-0.00007729 0.00016184 0.00012962
0.00108832 -0.02030255 0.04671154
1.60769567 3.71588491 -4.06673408
0.00003920 -0.00001299 -0.00012168
0.01251191 0.01809969 -0.03232109
21.19779884 -10.57867195 -4.42800578
-0.00033228 0.00002971 0.00021985
0.01197146 0.01499078 -0.01883459
3.10064347 -10.55967448 7.62569954
0.00018176 -0.00022976 -0.00038179
-0.03058186 0.00497804 0.00185912
-2.00786775 -1.79107991 -19.86270222
-0.00021317 -0.00007981 -0.00027523
0.00252027 0.01547091 0.02917996
-0.70225976 3.80221915 -10.59409178
-0.00038491 0.00024585 -0.00013190
0.00107829 -0.01501829 0.05479319
-4.92945997 14.77952979 14.37867934
0.00010260 0.00031467 -0.00009592
0.00218222 0.01321912 0.00406002
-5.26402240 2.78439570 -7.07897379
0.00019647 -0.00000160 0.00025838
0.00745769 -0.00019551 -0.01178421
-9.18409895 0.94533154 -4.05773955
0.00024134 0.00002798 -0.00023843
-0.01600334 -0.00969086 0.01630546
2.84419158 27.47410659 5.79151808
-0.00003700 0.00001616 0.00013466
0.01967254 0.04415520 0.02716583
9.74096314 -10.82200310 -1.45887562
-0.00026510 0.00011172 0.00001478
-0.02326317 -0.00208340 -0.00196110
-6.77440066 1.02635061 9.26093220
-0.00009532 -0.00009860 -0.00010033
-0.01743962 0.04425852 0.01301879
20.19547771 10.74087002 6.90818402
-0.00003549 -0.00018345 -0.00004687
-0.07812636 -0.00613021 -0.00706387
-3.05976369 1.02528096 -23.98692695
0.00014849 -0.00015208 -0.00019372
-0.05453357 -0.00974562 0.03326263
-13.49301280 8.65197754 8.78487949
0.00017856 -0.00027156 0.00017795
-0.02642704 -0.02093824 -0.02876780
-13.67191799 5.93452504 -3.55609674
-0.00014563 -0.00019501 -0.00020686
-0.00403522 0.02462435 -0.01430715
-2.59129311 -15.48672487 20.53948353
-0.00048008 -0.00010650 0.00006000
0.01340480 0.00283372 -0.00013585
-5.91051019 7.98380175 -7.86598612
0.00018124 0.00026619 0.00013539
-0.00001542 -0.03908522 0.01100240
-19.54886833 30.25728239 0.86585398
0.00018942 0.00001096 -0.00006701
-0.01786969 0.01679191 0.00958070
9.88603308 3.78412361 7.92247944
0.00005482 -0.00011190 -0.00015903
-0.00128848 0.02128996 0.00271651
7.26724268 16.20652788 -11.54851530
0.00000335 0.00013241 0.00004401
-0.00047386 0.01834402 -0.01545810
13.48764427 4.72007623 -1.27192870
-0.00012711 -0.00044921 -0.00004708
-0.02028923 0.04909188 -0.01956844
-5.97067243 11.70060805 -1.69274957
0.00035421 0.00010651 0.00053450
-0.01030278 0.00783399 0.00003538
7.66103427 12.53185557 5.26719812
-0.00036241 -0.00001406 0.00002980
0.00873442 -0.05204137 -0.00047737
21.30291628 -11.83436594 -9.39349620
-0.00053644 0.00032646 0.00016475
-0.06051643 0.00960808 0.00322767
19.66771422 -5.77527172 -0.81091862
-0.00019056 0.00025359 0.00032387
0.00310962 -0.01109398 0.01262843
15.12025380 8.01936131 9.02463866
0.00047718 -0.00001034 0.00048898
-0.01041046 0.00983874 -0.00899002
3.81204098 -13.76717662 16.35836783
-0.00013491 -0.00010358 0.00003263
-0.00501998 -0.03725853 0.00450922
-2.57923655 -2.22340692 -13.52540947
-0.00006882 0.00014998 0.00023287
-0.02337610 -0.00965490 0.00189131
15.47834519 -7.42986500 -13.17383506
-0.00017587 0.00000241 0.00002032
0.01376447 -0.00100852 0.00721299
9.86622963 -3.85136804 6.48951645
0.00021452 -0.00018376 -0.00021496
-0.03632475 0.02377546 0.03068206
-19.44918401 1.39578014 24.83422435
-0.00009146 -0.00000581 0.00004584
0.02353548 0.02181214 0.00230428
24.02277602 -1.02478387 -7.36099113
-0.00032033 0.00021672 -0.00003352
-0.00440872 0.00772076 0.00018898
11.66235566 -10.25519977 -11.37122718
0.00009889 0.00040398 -0.00006012
0.00003325 -0.01461861 0.02080482
-9.01062317 -10.62717710 16.24823108
-0.00036256 0.00020712 -0.00033844
0.02663210 -0.00398006 0.01155785
7.10498726 1.56288283 -27.94681610
0.00021936 -0.00016520 -0.00013171
0.02361445 -0.00413638 -0.00883470
12.58352942 18.47349278 12.72699222
-0.00003470 -0.00035207 -0.00029284
0.05835939 -0.00036096 -0.00812872
26.08063219 7.54669742 -11.04821192
0.00018673 -0.00002462 0.00011614
-0.01784087 -0.00367904 0.02857324
4.98784455 -29.81705970 -4.76694728
-0.00039210 0.00024726 0.00042690
0.00074828 -0.00022079 -0.00361468
3.84245003 -30.09054739 -2.08602292
0.00000837 -0.00098289 -0.00007834
0.00479685 -0.01113714 0.00010886
-9.92342302 2.66206062 -8.64522554
0.00096662 0.00088657 0.00042499
-0.01928216 -0.00651817 -0.00652883
-11.78262594 2.61874165 -11.00215514
0.00012857 0.00038166 0.00005110
0.00075738 0.00206470 0.00010740
-36.69731477 3.30543827 2.93761804
-0.00000328 0.00090853 -0.00079444
0.01402449 -0.02697519 -0.01008906
-37.75446447 0.69887078 3.54992367
-0.00101939 0.00052002 -0.00095204
-0.03861986 -0.02015356 0.00665932
-8.93321043 -3.88197443 1.65661702
-0.00019061 0.00023421 0.00093300
0.02213412 -0.00188247 0.01204610
-6.52347318 -5.05767020 2.89221636
-0.00052263 -0.00028153 0.00003826
-0.00085609 -0.00160324 -0.00191445
2.98629503 -0.08633940 7.47779771
0.00001436 -0.00008556 0.00119167
0.01507821 -0.00355997 -0.02220082
1.45670620 1.62419750 9.20614048
-0.00099208 -0.00007624 -0.00000857
-0.00354396 -0.00597134 0.00244635
-30.08270212 0.12230414 2.97230412
-0.00033461 -0.00055339 0.00036718
0.00283255 0.00213723 -0.00671915
-32.87164132 0.92105291 2.81461923
0.00032256 0.00027978 0.00001972
0.02945119 0.02244045 -0.00667043
15.83382068 11.69025250 -18.51241828
0.00055751 0.00069574 0.00001817
-0.03490475 -0.04467603 -0.00261944
18.33562376 12.59398130 -17.66562115
0.00061960 -0.00002923 -0.00002430
0.01793574 -0.00892955 0.01253651
-2.87019268 6.64394659 6.17212742
-0.00005880 -0.00030579 0.00013382
-0.00319587 -0.00453836 -0.00271702
-2.65561901 5.00599413 3.74843030
0.00069692 -0.00057753 -0.00056041
-0.01358502 0.00030991 0.02798410
6.45094198 16.44898211 -8.58083357
0.00111644 0.00009911 0.00060412
0.01448360 -0.01036718 -0.03592142
7.00658803 18.02900746 -6.20719639
-0.00094459 -0.00105239 0.00066413
-0.03138675 -0.02227398 -0.01905845
7.73442558 5.55236694 -22.69223542
-0.00104687 0.00047082 0.00011426
-0.01138599 0.00397385 0.02833598
8.53662226 7.11950153 -20.43130824
-0.00057594 0.00057408 0.00178993
-0.00372374 -0.00391979 0.01028961
19.01680748 21.09894828 -4.35390706
-0.00103078 0.00059831 0.00099873
0.00051417 0.02076072 0.02173046
19.53604791 19.71677366 -6.73895072
0.00018122 -0.00048726 0.00026402
0.01303712 -0.00223878 -0.01561162
1.32193830 12.41804580 -21.20741748
0.00041076 0.00047024 -0.00111496
0.01898235 0.00664239 0.00687067
0.59512614 14.86754675 -22.29940744
-0.00059161 0.00025655 0.00025830
0.00921434 0.00599214 0.01543504
9.83202624 -6.94441047 0.35279152
-0.00015922 0.00006397 0.00082956
0.00330435 -0.01000007 -0.00512904
9.28307421 -4.15358844 -0.23189765
-0.00110482 0.00077774 0.00057247
0.00325951 0.00465482 -0.00389847
-18.25368209 -5.68809315 6.59808908
0.00032630 -0.00022125 -0.00030448
0.00989510 0.01231676 -0.00253393
-18.78494914 -4.94052364 3.91733522
0.00020374 0.00053010 -0.00019245
0.01722748 0.00770048 0.01093144
-14.51968424 -0.23813096 19.33348783
-0.00035853 -0.00065496 -0.00034050
-0.00556165 0.02613802 -0.04522199
-14.62920637 -0.19158970 22.15417128
-0.00044191 -0.00003608 0.00007790
0.00494082 -0.00749059 -0.00301284
1.00042011 2.59212183 -2.81206025
-0.00024365 -0.00065115 -0.00075425
-0.00658980 -0.01681894 0.00779358
1.82662170 2.82114227 -5.68000844
-0.00061366 0.00044413 -0.00065712
-0.00467641 -0.00350960 0.02527689
21.24699185 -10.28604707 -6.30272091
-0.00013200 0.00074613 -0.00042178
-0.00280051 -0.00855112 0.02587795
22.85910167 -10.00335990 -3.86930083
0.00176371 0.00054497 -0.00094647
-0.00905452 -0.00056185 -0.00203992
4.64170458 -10.38622930 6.74220038
-0.00094079 -0.00021873 0.00015868
0.02392335 -0.00121475 -0.00906588
3.38901625 -11.46891721 9.16595157
0.00004160 0.00073119 0.00010318
0.00518932 -0.00306641 0.00450719
-1.97987637 -3.42118194 -20.62684494
0.00016890 -0.00044660 0.00017412
-0.00318035 -0.02334590 -0.01595698
-2.90006240 -2.07864184 -18.27039425
0.00127903 0.00017940 -0.00020028
0.00295418 0.00667540 -0.01097388
0.90300206 4.69268887 -10.59849307
-0.00022188 -0.00054085 -0.00020227
-0.00301039 0.00358869 0.00219575
-0.93314509 3.26381746 -8.71737918
0.00136669 0.00076781 -0.00078186
0.00303412 0.01785570 -0.05521878
-4.19752463 15.84483238 15.68594229
-0.00105597 -0.00019190 -0.00048348
0.00056689 -0.00612854 -0.00535246
-6.70377508 15.16615156 14.57431337
0.00034144 -0.00018994 -0.00090376
-0.00181362 -0.00614353 -0.00174622
-6.49759678 2.08001458 -5.91320801
0.00068215 -0.00023013 0.00026310
-0.00541797 -0.00883315 0.00085244
-5.15853278 1.68474108 -8.55873803
-0.00133349 0.00101017 -0.00006722
-0.00760377 0.00836719 0.00842875
-10.02280109 -0.65272081 -3.65913065
-0.00027067 0.00058770 0.00059040
0.00874643 0.01155492 -0.00537958
-9.82921859 2.18184400 -2.75540646
-0.00056310 0.00042873 0.00046780
0.01604107 -0.00919334 -0.02347514
3.52384393 29.02570699 4.94599924
0.00041604 0.00012222 0.00003441
-0.01404133 -0.02513321 0.00137126
3.06886958 27.97578030 7.60664371
-0.00037200 0.00065361 -0.00115008
-0.00674682 -0.01256453 -0.02560805
7.87776632 -11.17827926 -1.48886750
-0.00083750 -0.00046826 -0.00094522
0.03392658 0.00741332 0.00330253
10.60054789 -11.72940601 -0.05511337
-0.00092696 -0.00110344 -0.00051087
-0.01585061 0.00612472 -0.00774258
-5.38471720 0.03450889 8.80852265
0.00051127 0.00048313 0.00039068
0.02487464 -0.02795289 -0.01040433
-8.33368382 0.15706262 9.11655483
0.00008613 0.00076478 0.00045374
-0.00759757 -0.01597990 -0.00106219
19.93881032 10.65224735 8.68772370
-0.00147255 -0.00073715 0.00046196
-0.00002994 -0.00159755 0.01524501
21.88691806 10.75186221 6.67544750
0.00026099 0.00016979 -0.00021970
0.08231464 0.00548621 -0.00701155
-3.01961052 -0.17809041 -22.42010244
-0.00022565 0.00050388 0.00036252
0.00229929 0.02986692 -0.02934827
-4.92963788 1.60923755 -23.99914179
-0.00089440 0.00063915 0.00010240
0.05177622 -0.01685334 -0.00172180
-12.34989335 9.85384515 9.54628814
0.00022893 -0.00043140 0.00007013
0.01220103 0.01453505 0.00687543
-13.73502202 9.24669018 7.03583035
-0.00082030 -0.00039862 0.00025816
0.00252160 -0.00041765 0.02197247
-14.90667307 4.90185930 -4.45303318
-0.00032753 -0.00041763 -0.00056788
0.00940934 -0.00664722 -0.00236850
-13.60711327 7.53197221 -4.54405214
0.00002594 0.00002969 -0.00086865
-0.00262108 -0.02022584 0.01891735
-4.31281541 -15.93658065 20.58674836
0.00004655 -0.00063417 0.00071459
-0.02628169 -0.00648972 0.00519473
-1.94997236 -16.68962438 19.32078646
-0.00015495 0.00019855 -0.00055246
0.00654243 0.00472527 0.00095216
-5.70428612 6.14421383 -7.44490157
-0.00072658 0.00029732 -0.00011933
0.00700828 0.01535499 -0.01228276
-7.30721787 8.32799590 -6.73399352
0.00043128 0.00041690 0.00006729
-0.00172672 0.01467215 -0.00539516
-20.76100446 28.91564938 1.06615464
-0.00000787 -0.00091208 0.00003696
0.00326204 -0.00013929 -0.00802844
-18.02687552 29.57877633 0.18206606
0.00013289 -0.00027109 -0.00019709
0.00667335 -0.01054868 0.00279125
9.08437666 2.78049367 6.59668885
-0.00006647 0.00094590 0.00078835
0.00005663 0.01172702 0.00414260
9.28445629 5.63853269 8.02751824
0.00064689 -0.00050133 0.00083105
0.00879516 -0.03556665 -0.00202934
7.75904436 17.81202806 -12.36603362
0.00041141 0.00006095 -0.00009842
-0.00109544 -0.01993204 0.01003284
8.38374923 15.00416655 -12.32396705
-0.00029703 0.00053960 0.00023233
0.00381824 -0.00419522 0.00231271
12.18049673 6.11882272 -1.19372562
0.00015610 0.00027295 0.00016162
0.03162803 -0.03556038 0.00449046
13.51064038 3.74872997 0.26240012
-0.00069730 0.00029558 0.00002825
-0.00508180 -0.00318296 0.02039209
-4.68958939 10.48063064 -1.93547350
0.00001466 0.00019002 -0.00086107
0.03256649 -0.01122090 -0.01260326
-6.93582961 10.85237778 -0.42026719
-0.00068060 0.00046854 0.00107766
-0.01368317 0.00360941 0.00916266
7.59376761 14.25962296 5.15026755
0.00055073 0.00023925 0.00041440
-0.00174547 0.05734557 -0.00426670
9.24469358 11.97976649 4.49614273
0.00099707 -0.00040422 0.00005196
-0.00317282 0.00036703 -0.00163406
20.03519042 -13.08456227 -8.78104598
-0.00092878 -0.00032139 0.00016264
0.01319163 0.01750429 -0.00625833
22.79274989 -12.70330226 -9.64650952
-0.00109780 -0.00082241 -0.00123909
0.03944303 -0.02472381 -0.00563719
19.54942362 -4.94146767 -2.41149494
-0.00052458 0.00042140 0.00018052
-0.00400655 0.00811508 -0.01530427
18.37521991 -7.08497309 -0.81367196
0.00025211 -0.00116497 0.00126238
0.00225278 -0.00110674 -0.00091110
13.86922198 9.35427788 9.31935594
-0.00032575 -0.00059435 0.00025466
0.00766786 -0.00834370 -0.00313449
15.60588190 7.56212683 10.70702988
0.00092238 -0.00007348 -0.00036621
0.00456578 -0.00075377 0.01512535
3.09092525 -15.24141673 17.34488822
0.00051786 -0.00034645 -0.00077658
0.00667568 0.03271610 -0.01404288
3.22190129 -12.19901199 17.08521318
0.00050487 0.00048241 -0.00078661
0.00110193 -0.00440707 0.00350658
-2.75429753 -3.77365075 -12.55674086
-0.00010530 0.00025336 -0.00050790
0.00532285 0.00737193 -0.00772268
-0.86419784 -2.01910911 -14.05291094
0.00031965 -0.00028935 -0.00068532
0.01470678 0.00128740 0.00751055
15.72171531 -7.57820542 -14.98471193
-0.00015557 -0.00072866 -0.00052961
0.00301380 -0.00418806 -0.00421411
17.01497279 -8.13237837 -12.39180074
0.00089256 0.00027700 -0.00024805
-0.01723673 0.00679610 -0.00519276
8.35102644 -3.18475170 5.64378933
0.00010886 0.00060125 -0.00138909
0.01924620 -0.01460219 -0.00096983
11.00015297 -4.58170498 5.36465251
0.00081652 0.00014387 -0.00000484
0.01869171 -0.00793745 -0.03223266
-20.65769999 0.10637765 25.01716497
0.00014180 -0.00139718 -0.00090476
-0.02409347 -0.01447287 0.00311626
-19.70876168 2.73250351 26.11773762
-0.00039944 -0.00022571 -0.00032678
-0.00102082 -0.01141388 -0.00864686
25.04635446 -2.51495404 -7.52595850
0.00027981 -0.00040709 0.00061302
0.01171924 -0.01480578 0.00879878
23.73960786 -0.65795073 -9.10884091
0.00045410 0.00112343 -0.00028426
-0.00231210 0.00674966 -0.01286519
12.24256218 -10.81195199 -9.65746050
0.00097081 -0.00057444 -0.00041359
-0.00313848 0.01925329 -0.01839832
12.88339176 -9.09214605 -12.13659605
-0.00027829 0.00047690 0.00072460
0.00751136 0.00023193 0.00769138
-7.43329110 -10.74129039 17.31236383
0.00052283 0.00020704 -0.00018157
-0.01709277 0.00550172 -0.01762904
-10.08460366 -9.97663970 17.54965052
-0.00043771 0.00077547 -0.00063153
-0.01958740 0.00032976 0.00530079
8.28097985 1.20888785 -29.41536822
0.00034287 0.00040231 0.00047602
-0.00706033 0.01569468 0.01666356
5.50975087 0.93092910 -28.41873630
0.00016865 0.00026839 -0.00012972
-0.02361248 -0.01089218 -0.00771981
13.95939482 19.34932113 13.69785414
-0.00020413 0.00032702 0.00033989
-0.02970328 -0.01087957 -0.01151199
13.68912663 17.68136554 11.38629551
0.00059621 -0.00026079 0.00008698
-0.02680714 0.00985794 0.02028720
27.76590183 7.82157711 -11.62036187
-0.00010748 0.00002523 -0.00066084
0.02394217 0.00232505 -0.01008863
26.23080596 7.69891717 -9.15810105
0.00018685 0.00020479 0.00045874
-0.00321932 0.00138409 -0.01237386
-7.79770211 4.72906476 6.20192100
0.00007967 -0.00000479 0.00013713
-0.00384578 -0.00296954 0.00104020
-10.19561764 9.08523873 3.14343252
0.00032791 -0.00011646 0.00027052
0.00540059 -0.00111812 0.00307763
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.07628616
0.30975472
412.73263645
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0604651163
ExchangeOperator: pair fraction: ispin=0: 0.1509356409
ExchangeOperator: bisection time: 1.513 s
total exchange = -52.3426683561 (a.u.)
total exchange computation time: 2.9580681324 s
-153.9711264323
-931.38517332
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0604651163
ExchangeOperator: pair fraction: ispin=0: 0.1509356409
ExchangeOperator: bisection time: 1.514 s
total exchange = -52.3423281809 (a.u.)
total exchange computation time: 2.9582080841 s
-153.9738342265
Anderson extrapolation: theta=1.3440286837 (1.3440286837)
-931.38542556
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0604651163
ExchangeOperator: pair fraction: ispin=0: 0.1509356409
ExchangeOperator: bisection time: 1.514 s
total exchange = -52.3417898540 (a.u.)
total exchange computation time: 2.9590969086 s
-153.9780042129
Anderson extrapolation: theta=0.0514020123 (0.0514020123)
-931.38557545
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0604651163
ExchangeOperator: pair fraction: ispin=0: 0.1509356409
ExchangeOperator: bisection time: 1.515 s
total exchange = -52.3416936634 (a.u.)
total exchange computation time: 2.9576168060 s
-153.9787268732
Anderson extrapolation: theta=1.9341379482 (1.9341379482)
-931.38558097
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0604651163
ExchangeOperator: pair fraction: ispin=0: 0.1509356409
ExchangeOperator: bisection time: 1.514 s
total exchange = -52.3414807863 (a.u.)
total exchange computation time: 2.9596049786 s
-153.9802783155
Anderson extrapolation: theta=0.2250551739 (0.2250551739)
-931.38558669
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0604651163
ExchangeOperator: pair fraction: ispin=0: 0.1509356409
ExchangeOperator: bisection time: 1.513 s
total exchange = -52.3414221008 (a.u.)
total exchange computation time: 2.9572777748 s
-153.9806583325
Anderson extrapolation: theta=1.8884874267 (1.8884874267)
-931.38558779
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0604651163
ExchangeOperator: pair fraction: ispin=0: 0.1509356409
ExchangeOperator: bisection time: 1.511 s
total exchange = -52.3413261298 (a.u.)
total exchange computation time: 2.9572911263 s
-153.9812154702
Anderson extrapolation: theta=0.2843459404 (0.2843459404)
-931.38558912
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0604651163
ExchangeOperator: pair fraction: ispin=0: 0.1509356409
ExchangeOperator: bisection time: 1.514 s
total exchange = -52.3413153086 (a.u.)
total exchange computation time: 2.9593908787 s
-153.9812118772
Anderson extrapolation: theta=1.3017510113 (1.3017510113)
-931.38558944
20.938495 27.363458 -165.960114
559.758169 1074.895312 -407.877996
580.696664 1102.258770 -573.838110
1371.668031
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0604651163
ExchangeOperator: pair fraction: ispin=0: 0.1509356409
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.3413144372 (a.u.)
total exchange computation time: 2.9589560032 s
678.27541660
-1082.91662175
89.91008791
-389.60878915
-174.70436872
77.77902622
551.60419304
0.00000000
-931.38558956
4.54405149 -31.07756251 -3.48932392
-0.00005675 -0.00023437 0.00000507
-0.00400283 0.00506934 0.00004554
-11.61071730 2.15278024 -9.22317490
0.00013095 0.00002732 0.00014087
0.02223712 0.00644973 0.00171450
-36.18101356 1.41849897 3.23340983
0.00012639 -0.00006267 0.00033544
0.01220536 0.04395384 0.00044032
-7.35920757 -3.45362883 2.65311279
0.00012309 0.00002146 0.00003219
-0.02225207 -0.00229135 -0.00750713
2.24941198 -0.03353716 9.09349583
0.00007435 -0.00028210 -0.00000816
-0.01768563 0.00949988 0.02740094
-31.08524702 1.62081638 2.54348834
-0.00009611 0.00030904 -0.00004577
-0.02614089 -0.02968430 0.02231962
16.78856136 13.13160326 -18.42084201
-0.00031577 -0.00004713 -0.00043364
0.02624190 0.06619337 0.00228438
-3.46263903 5.04690073 5.45181720
-0.00001959 -0.00006263 -0.00015278
0.01933039 0.00518187 -0.03269871
5.62860110 17.03390310 -7.10370536
-0.00016239 0.00005391 -0.00010798
0.00994126 0.03538607 0.06055203
7.27014062 5.82207375 -20.80202892
0.00025823 0.00024994 -0.00002718
0.01838346 0.00585745 -0.03577735
18.63731522 19.55116109 -5.20893536
0.00013056 -0.00019030 -0.00031388
-0.01255259 -0.01954081 0.00300833
1.99081162 14.16046308 -21.24739466
0.00001693 0.00029716 -0.00005858
-0.03208411 -0.00513687 -0.01795092
10.58128781 -5.29208260 0.41964998
0.00023890 -0.00010837 0.00003115
-0.01220286 0.01097715 0.00046919
-17.67338883 -4.43874919 5.35194268
0.00050800 -0.00056943 0.00002876
-0.02721176 -0.01995632 -0.01133593
-14.31619094 -1.30423705 20.71479608
-0.00007668 0.00015117 0.00015351
0.00128586 -0.02121441 0.04619055
1.60833196 3.71575988 -4.06868389
0.00004557 -0.00000397 -0.00013833
0.01225783 0.01698117 -0.03244844
21.19286082 -10.57816854 -4.42478065
-0.00032325 0.00003861 0.00020989
0.02312939 0.01962966 -0.01991184
3.10325194 -10.56310161 7.61997984
0.00016358 -0.00022745 -0.00037957
-0.04010471 0.00397641 0.00678194
-2.01105559 -1.79221743 -19.86671806
-0.00021111 -0.00007201 -0.00026146
0.00550573 0.01488035 0.02434034
-0.70802918 3.80584897 -10.59585886
-0.00038412 0.00023837 -0.00010468
0.00197905 -0.01406500 0.05103115
-4.92791249 14.78430082 14.37725618
0.00010364 0.00032012 -0.00009531
0.00182995 0.00796724 -0.00169068
-5.26104654 2.78437102 -7.07514357
0.00020037 -0.00000107 0.00025268
0.00768151 0.00222112 -0.01038398
-9.18054063 0.94571384 -4.06125310
0.00023252 0.00002392 -0.00022899
-0.01827929 -0.00609109 0.02041019
2.84371251 27.47451927 5.79364277
-0.00002686 0.00003891 0.00014672
0.01976049 0.04434175 0.01972098
9.73689691 -10.82033538 -1.45866153
-0.00027809 0.00011039 0.00001365
-0.02725015 -0.00308714 -0.00243188
-6.77589780 1.02504227 9.25947745
-0.00010290 -0.00007504 -0.00009355
-0.01203123 0.04736018 0.01335703
20.19464393 10.73809456 6.90745374
-0.00007475 -0.00018668 -0.00004941
-0.07450846 -0.00639818 -0.00281013
-3.05774671 1.02296220 -23.98970438
0.00011912 -0.00015654 -0.00017662
-0.05965931 -0.00759788 0.03321561
-13.49043639 8.64782345 8.78743775
0.00016487 -0.00028248 0.00016327
-0.02681205 -0.02152948 -0.02830924
-13.67411800 5.93169482 -3.55925486
-0.00014820 -0.00018208 -0.00021498
-0.00596088 0.02567336 -0.01727311
-2.59844253 -15.48831138 20.54038306
-0.00047223 -0.00010520 0.00005947
0.01708921 0.00218727 -0.00192559
-5.90779161 7.98764390 -7.86391276
0.00018139 0.00024627 0.00014077
0.00058830 -0.03840310 0.00990490
-19.54609591 30.25751158 0.86488573
0.00017942 0.00001820 -0.00006203
-0.02102055 0.01135232 0.00979556
9.88685035 3.78252730 7.92010444
0.00005543 -0.00010029 -0.00015591
0.00367132 0.02383186 0.00941559
7.26729114 16.20858483 -11.54791476
0.00000259 0.00014266 0.00003644
-0.00250791 0.02150462 -0.01399366
13.48565938 4.71352737 -1.27271035
-0.00013788 -0.00042335 -0.00005745
-0.02158557 0.05147507 -0.02075167
-5.96539908 11.70223595 -1.68473201
0.00034786 0.00011025 0.00053545
-0.01438397 0.00669262 0.00366928
7.65563175 12.53144391 5.26764323
-0.00035610 -0.00004070 0.00002853
0.01581869 -0.05153647 -0.00443739
21.29463621 -11.82943197 -9.39101248
-0.00056719 0.00033012 0.00016663
-0.05906853 0.00460975 0.00406615
19.66486789 -5.77151071 -0.80601185
-0.00018963 0.00024717 0.00033019
0.00048896 -0.01384107 0.01193724
15.12737131 8.01924422 9.03193864
0.00047138 -0.00000497 0.00048304
-0.01213189 0.01103700 -0.01411210
3.80999797 -13.76887398 16.35887466
-0.00013690 -0.00012226 0.00003413
-0.00271822 -0.03540618 0.00133672
-2.58035900 -2.22119443 -13.52190917
-0.00007947 0.00014601 0.00023291
-0.01802706 -0.00577708 -0.00171623
15.47576018 -7.42983278 -13.17350247
-0.00016758 0.00000142 0.00002326
0.01848439 -0.00284615 0.00422669
9.86930739 -3.85403279 6.48641046
0.00019492 -0.00017127 -0.00020023
-0.03990692 0.02481256 0.02659674
-19.45046513 1.39577718 24.83492091
-0.00008037 0.00000362 0.00004659
0.01958647 0.01486238 0.00059038
24.01795407 -1.02150324 -7.36149314
-0.00032180 0.00021966 -0.00003398
-0.00131068 0.00369266 -0.00201100
11.66383909 -10.24919652 -11.37204879
0.00009852 0.00039566 -0.00004875
-0.00147157 -0.01771122 0.02343164
-9.01595878 -10.62408571 16.24319900
-0.00034797 0.00020500 -0.00033194
0.03008802 -0.00423863 0.01372819
7.10836878 1.56038881 -27.94882587
0.00023115 -0.00016710 -0.00013548
0.02222600 -0.00323050 -0.00582485
12.58323399 18.46821034 12.72256833
-0.00000427 -0.00035187 -0.00029657
0.05999312 0.00113208 -0.00637596
26.08336432 7.54631388 -11.04635966
0.00017748 -0.00002647 0.00013118
-0.01813496 -0.00350698 0.02993985
4.98198595 -29.81335753 -4.76065459
-0.00038875 0.00024623 0.00041119
0.00089046 -0.00028246 -0.00407279
3.84272252 -30.10563201 -2.08719468
0.00002494 -0.00102426 -0.00007169
0.00331410 -0.00911469 0.00314447
-9.90951466 2.67515941 -8.63905079
0.00087475 0.00085572 0.00039398
-0.02568528 -0.00858079 -0.00865143
-11.78067414 2.62452986 -11.00138530
0.00013185 0.00038915 0.00005390
0.00084549 0.00160285 0.00126070
-36.69693416 3.31823964 2.92539227
0.00005640 0.00079126 -0.00083369
0.01518705 -0.03043191 -0.00912321
-37.77093873 0.70605357 3.53584713
-0.00116652 0.00044313 -0.00092721
-0.03340008 -0.01748820 0.00549508
-8.93539130 -3.87851896 1.67098121
-0.00010287 0.00022609 0.00097957
0.02081526 -0.00209344 0.01075085
-6.53133881 -5.06194222 2.89273157
-0.00052523 -0.00028819 0.00003081
-0.00041881 -0.00165767 -0.00173063
2.98697251 -0.08773181 7.49499249
0.00008505 -0.00010020 0.00108222
0.01952246 -0.00361089 -0.03137472
1.44171634 1.62287097 9.20608690
-0.00100203 -0.00010924 0.00000047
-0.00132383 -0.01018353 0.00197777
-30.08763443 0.11406875 2.97760588
-0.00032666 -0.00053698 0.00033744
0.00106008 0.00589759 -0.00783720
-32.86590046 0.92593728 2.81471063
0.00043793 0.00037062 -0.00000717
0.02702170 0.02202369 -0.00649132
15.84111376 11.69931957 -18.51222597
0.00040256 0.00049392 0.00000648
-0.04094361 -0.05411763 -0.00310304
18.34546732 12.59326918 -17.66560144
0.00067842 -0.00006089 0.00002014
0.01085939 -0.00656647 0.00921391
-2.87117261 6.63922061 6.17405142
-0.00007074 -0.00032266 0.00012229
-0.00265131 -0.00371704 -0.00292665
-2.64558148 4.99734061 3.74088171
0.00063785 -0.00057489 -0.00043854
-0.01533144 0.00098295 0.03166939
6.46813243 16.45015113 -8.57287255
0.00117437 0.00005669 0.00045739
0.01387175 -0.01040118 -0.03590164
6.99145741 18.01253909 -6.19781845
-0.00106604 -0.00113716 0.00059095
-0.02806469 -0.01922118 -0.01676410
7.71837362 5.55955107 -22.68965317
-0.00108878 0.00048820 0.00022709
-0.00912690 0.00453075 0.02689470
8.52786909 7.12799268 -20.40414398
-0.00059053 0.00055666 0.00182799
-0.00341884 -0.00460733 0.00834264
19.00136160 21.10855912 -4.33826019
-0.00103100 0.00066848 0.00107745
-0.00062223 0.01358762 0.01680076
19.53916577 19.70939619 -6.73546882
0.00023930 -0.00049359 0.00019440
0.01539171 -0.00085893 -0.01846834
1.32868134 12.42530289 -21.22393141
0.00048689 0.00049226 -0.00108585
0.01828675 0.00413776 0.00738151
0.58653438 14.87157868 -22.29505992
-0.00055175 0.00028113 0.00032225
0.01029505 0.00603973 0.01586537
9.82973920 -6.94375731 0.36507782
-0.00014613 0.00002316 0.00080867
0.00310471 -0.00997729 -0.00509679
9.26660184 -4.14177966 -0.22343005
-0.00107844 0.00078535 0.00056228
0.00965194 -0.00093170 -0.00108918
-18.24848431 -5.69103443 6.59344431
0.00036485 -0.00017513 -0.00031144
0.00897259 0.01025592 -0.00087342
-18.78136517 -4.93233619 3.91478341
0.00027457 0.00056053 -0.00014668
0.01744578 0.00719545 0.01147587
-14.52523258 -0.24715440 19.32699460
-0.00038140 -0.00054818 -0.00052421
-0.00563322 0.02613319 -0.04470452
-14.63568360 -0.19236050 22.15524740
-0.00042172 -0.00006476 0.00006600
0.00494365 -0.00654501 -0.00281237
0.99656348 2.58183920 -2.82313515
-0.00027027 -0.00071840 -0.00072352
-0.00644383 -0.01609906 0.00724706
1.81727345 2.82769666 -5.68909066
-0.00063253 0.00043042 -0.00055248
-0.00455801 -0.00320108 0.02594548
21.24492604 -10.27511712 -6.30825462
-0.00014530 0.00070884 -0.00030902
-0.00370860 -0.00970217 0.02931744
22.88527983 -9.99520251 -3.88356032
0.00170576 0.00053539 -0.00095936
-0.01930983 -0.00412723 -0.00426979
4.62832583 -10.38954745 6.74430273
-0.00082411 -0.00022112 0.00011086
0.03319400 0.00004334 -0.01433871
3.38979931 -11.45804327 9.16763743
0.00006298 0.00071824 0.00012239
0.00527523 -0.00327444 0.00489275
-1.97744030 -3.42859638 -20.62472206
0.00015545 -0.00053890 0.00010963
-0.00340537 -0.02183469 -0.01561429
-2.88078646 -2.07574626 -18.27373473
0.00128537 0.00020527 -0.00023593
0.00014855 0.00598619 -0.00647797
0.89958161 4.68468616 -10.60145987
-0.00023061 -0.00052342 -0.00019607
-0.00126396 0.00494083 0.00084194
-0.91255182 3.27588179 -8.73079915
0.00137387 0.00083602 -0.00099749
0.00048108 0.01553170 -0.05033494
-4.21334675 15.84176608 15.67852605
-0.00104641 -0.00020741 -0.00049369
0.00410931 -0.00146219 0.00035728
-6.69870902 15.16311426 14.56070353
0.00032751 -0.00021391 -0.00091058
-0.00500823 -0.00559353 -0.00159534
-6.48753053 2.07629191 -5.90923537
0.00065785 -0.00026671 0.00026873
-0.00647721 -0.00907371 0.00190410
-5.17876814 1.70014996 -8.55948805
-0.00136282 0.00104016 -0.00003819
-0.00675311 0.00631729 0.00578082
-10.02659306 -0.64355128 -3.65043949
-0.00023488 0.00063190 0.00056742
0.00876957 0.01008509 -0.00586851
-9.83717355 2.18799325 -2.74910880
-0.00049265 0.00038645 0.00036443
0.01844397 -0.01150434 -0.02712563
3.52965421 29.02677019 4.94655747
0.00035718 0.00001694 0.00003985
-0.01477022 -0.02640525 0.00129074
3.06308285 27.98519943 7.58860783
-0.00039844 0.00060435 -0.00123962
-0.00619550 -0.01155061 -0.01822527
7.86624349 -11.18507595 -1.50294454
-0.00069181 -0.00043615 -0.00093130
0.03738731 0.00830112 0.00350899
10.58615772 -11.74576987 -0.06301369
-0.00099043 -0.00107819 -0.00054170
-0.01521643 0.00623282 -0.00734789
-5.37628585 0.04089929 8.81406408
0.00060986 0.00036908 0.00034880
0.02338268 -0.02787781 -0.01009757
-8.33262466 0.16804457 9.12332843
0.00004706 0.00069301 0.00044823
-0.01152942 -0.01915202 -0.00163460
19.91672114 10.64114115 8.69512025
-0.00146832 -0.00074289 0.00051101
0.00210200 -0.00121097 0.00876439
21.89335534 10.75457714 6.67193710
0.00058549 0.00019233 -0.00024399
0.07652885 0.00554809 -0.00487819
-3.02292475 -0.16961694 -22.41556394
-0.00021567 0.00062424 0.00024252
0.00258412 0.02904810 -0.02939506
-4.94146726 1.61830841 -23.99765862
-0.00067344 0.00056695 0.00009503
0.05638305 -0.01849113 -0.00188147
-12.34608555 9.84781960 9.54755072
0.00027866 -0.00037071 0.00009749
0.01214218 0.01517024 0.00651967
-13.74724917 9.24069807 7.04037606
-0.00080894 -0.00039933 0.00034780
0.00303616 0.00006891 0.02190694
-14.91129773 4.89539110 -4.46162398
-0.00028490 -0.00044164 -0.00057455
0.01145836 -0.00510575 -0.00089378
-13.60680444 7.53179774 -4.55650221
0.00001496 -0.00005813 -0.00078801
-0.00275342 -0.02276104 0.02055492
-4.31292248 -15.94629211 20.59762635
-0.00006583 -0.00066244 0.00073590
-0.02873073 -0.00734532 0.00523882
-1.95209606 -16.68650137 19.31252878
-0.00013044 0.00022112 -0.00054509
0.00545374 0.00632594 0.00265221
-5.71497013 6.14914421 -7.44706791
-0.00069649 0.00035720 -0.00016871
0.00772424 0.01395343 -0.01188925
-7.30080159 8.33469893 -6.73314954
0.00042175 0.00047804 0.00004721
-0.00294019 0.01525717 -0.00443512
-20.76102253 28.90196394 1.06646306
0.00001351 -0.00090268 0.00000296
0.00720229 0.00473956 -0.00861828
-18.02467765 29.57438676 0.17919521
0.00015827 -0.00031276 -0.00018498
0.00575025 -0.00985119 0.00313655
9.08338136 2.79504156 6.60864104
-0.00007428 0.00098375 0.00079223
-0.00388007 0.00680103 -0.00224320
9.29442917 5.62992283 8.03992177
0.00068044 -0.00064176 0.00082178
0.00762877 -0.03317192 -0.00250891
7.76518187 17.81233155 -12.36720245
0.00040611 -0.00002041 -0.00005691
-0.00149886 -0.01989486 0.01028508
8.37941085 15.01213202 -12.32041121
-0.00027619 0.00051596 0.00023820
0.00638088 -0.00737776 0.00056119
12.18380747 6.12182732 -1.19116376
0.00028663 0.00012592 0.00017891
0.03226397 -0.03641295 0.00397372
13.50002516 3.75306619 0.26344877
-0.00071699 0.00027970 0.00011524
-0.00455816 -0.00459064 0.02218710
-4.68837162 10.48313710 -1.94877580
0.00014609 0.00014219 -0.00091033
0.03177382 -0.01219292 -0.01150689
-6.94645796 10.85951649 -0.40382152
-0.00072685 0.00048730 0.00110510
-0.00895372 0.00557355 0.00427101
7.60197511 14.26496893 5.15635284
0.00054447 0.00046693 0.00039798
-0.00131799 0.05410581 -0.00377435
9.25955239 11.97371447 4.49687201
0.00096934 -0.00039785 0.00005245
-0.01040153 0.00274909 0.00187380
20.02166289 -13.08884666 -8.77879811
-0.00087064 -0.00024389 0.00013515
0.01526966 0.02043045 -0.00719831
22.77749150 -12.71639600 -9.66526866
-0.00094357 -0.00091910 -0.00126214
0.03605452 -0.02260891 -0.00564535
19.54143219 -4.93489804 -2.40925612
-0.00054204 0.00045135 0.00012120
-0.00453973 0.00654496 -0.01373235
18.37907052 -7.10248153 -0.79476420
0.00026770 -0.00116129 0.00125655
0.00537980 0.00290715 -0.00194021
13.86457067 9.34510703 9.32307981
-0.00029307 -0.00062871 0.00024255
0.00832790 -0.00847832 -0.00279202
15.61985754 7.56100151 10.70200022
0.00094300 -0.00007837 -0.00029512
0.00552532 -0.00163812 0.01967184
3.09889770 -15.24561092 17.33280916
0.00054158 -0.00021494 -0.00082899
0.00493829 0.03165749 -0.01161210
3.22950815 -12.19191092 17.07352153
0.00050820 0.00046269 -0.00077064
0.00052694 -0.00524312 0.00430984
-2.75571397 -3.76962439 -12.56459608
-0.00008448 0.00027691 -0.00053517
0.00486807 0.00415283 -0.00562170
-0.85895247 -2.02340987 -14.06296057
0.00036983 -0.00028523 -0.00065145
0.00985746 0.00072739 0.00906786
15.71947405 -7.58926373 -14.99278517
-0.00014497 -0.00074462 -0.00053819
0.00217523 -0.00362258 0.00001271
17.02783304 -8.12801518 -12.39568065
0.00081469 0.00030775 -0.00027205
-0.02088239 0.00825802 -0.00655290
8.35324913 -3.17618034 5.62292334
0.00019685 0.00053743 -0.00138693
0.02382262 -0.01664172 0.00202508
11.01297360 -4.57979022 5.36359215
0.00089079 0.00011336 -0.00013378
0.01766052 -0.00699474 -0.03088329
-20.65631135 0.08497643 25.00368910
0.00005316 -0.00144424 -0.00089245
-0.01929225 -0.00856502 0.00290684
-19.71478450 2.72876805 26.11257095
-0.00040544 -0.00027024 -0.00035803
-0.00191793 -0.01038085 -0.00665007
25.05091066 -2.52151408 -7.51649355
0.00031970 -0.00045619 0.00064770
0.00781000 -0.00922705 0.00817856
23.74634843 -0.64089246 -9.11349897
0.00044667 0.00114748 -0.00033132
-0.00132175 0.00502310 -0.01017336
12.25702812 -10.81997862 -9.66422816
0.00095604 -0.00049464 -0.00049002
-0.00409008 0.01980790 -0.01901242
12.87944761 -9.08498547 -12.12549136
-0.00024320 0.00048182 0.00075207
0.00966315 0.00217799 0.00575315
-7.42597237 -10.73801615 17.30910004
0.00044432 0.00023067 -0.00025698
-0.02134243 0.00606312 -0.01928495
-10.09176952 -9.96499753 17.54034005
-0.00051558 0.00077622 -0.00061016
-0.01852890 0.00003867 0.00515824
8.28590661 1.21540341 -29.40771726
0.00031667 0.00046447 0.00053904
-0.00576454 0.01473549 0.01418508
5.51155699 0.93462111 -28.42091861
0.00007179 0.00022353 -0.00016223
-0.02379880 -0.01106255 -0.00819598
13.95542273 19.35389308 13.70259970
-0.00032891 0.00027960 0.00028962
-0.03138066 -0.01233463 -0.01309259
13.69724831 17.67775575 11.38822190
0.00048676 -0.00022039 0.00016948
-0.02676930 0.00992092 0.02009502
27.76502335 7.82202684 -11.63058360
-0.00001025 0.00003469 -0.00070051
0.02365188 0.00230295 -0.00933153
26.23351007 7.70203139 -9.15159914
0.00017451 0.00021050 0.00040434
-0.00282092 0.00141059 -0.01425286
-7.79651736 4.72898499 6.20398079
0.00007830 -0.00000586 0.00013749
-0.00381949 -0.00301897 0.00093801
-10.19068963 9.08348984 3.14749563
0.00032912 -0.00011672 0.00027121
0.00506153 -0.00109911 0.00290134
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.07644274
0.30914682
411.92263530
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0606104651
ExchangeOperator: pair fraction: ispin=0: 0.1514548405
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3336307890 (a.u.)
total exchange computation time: 3.0162830353 s
-153.9409140359
-931.38515727
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0606104651
ExchangeOperator: pair fraction: ispin=0: 0.1514548405
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.3334006424 (a.u.)
total exchange computation time: 3.0123739243 s
-153.9427839847
Anderson extrapolation: theta=1.3450742547 (1.3450742547)
-931.38541316
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0606104651
ExchangeOperator: pair fraction: ispin=0: 0.1514548405
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.3330268591 (a.u.)
total exchange computation time: 3.0145471096 s
-153.9457289416
Anderson extrapolation: theta=0.0512310849 (0.0512310849)
-931.38556546
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0606104651
ExchangeOperator: pair fraction: ispin=0: 0.1514548405
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.3329525907 (a.u.)
total exchange computation time: 3.0135829449 s
-153.9463099897
Anderson extrapolation: theta=1.9348956812 (1.9348956812)
-931.38557108
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0606104651
ExchangeOperator: pair fraction: ispin=0: 0.1514548405
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3327883023 (a.u.)
total exchange computation time: 3.0115571022 s
-153.9475526206
Anderson extrapolation: theta=0.2226543012 (0.2226543012)
-931.38557691
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0606104651
ExchangeOperator: pair fraction: ispin=0: 0.1514548405
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3327451514 (a.u.)
total exchange computation time: 3.0119318962 s
-153.9478372466
Anderson extrapolation: theta=1.8861436836 (1.8861436836)
-931.38557803
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0606104651
ExchangeOperator: pair fraction: ispin=0: 0.1514548405
ExchangeOperator: bisection time: 1.422 s
total exchange = -52.3326790798 (a.u.)
total exchange computation time: 3.0114820004 s
-153.9482129690
Anderson extrapolation: theta=0.2821230904 (0.2821230904)
-931.38557940
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0606104651
ExchangeOperator: pair fraction: ispin=0: 0.1514548405
ExchangeOperator: bisection time: 1.422 s
total exchange = -52.3326765462 (a.u.)
total exchange computation time: 3.0125138760 s
-153.9481607102
Anderson extrapolation: theta=1.3015692969 (1.3015692969)
-931.38557973
20.980205 27.390125 -165.926637
559.707046 1074.921743 -407.939271
580.687251 1102.311867 -573.865907
1371.718344
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0606104651
ExchangeOperator: pair fraction: ispin=0: 0.1514548405
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3326855041 (a.u.)
total exchange computation time: 3.0115079880 s
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0606104651
ExchangeOperator: pair fraction: ispin=0: 0.1514548405
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.3326855041 (a.u.)
total exchange computation time: 3.0102849007 s
[qbox] save md162.xml
SampleWriter: write time: 1.460 s
SampleWriter: file size: 1595163516
SampleWriter: aggregate write rate: 1041.71 MB/s
[qbox] run 10 8
EnergyFunctional: np0v,np1v,np2v: 140 140 140
EnergyFunctional: vft->np012(): 2744000
|
reciprocal lattice vectors
0.283174 0.000000 0.000000
0.000000 0.283174 0.000000
0.000000 0.000000 0.283174
kpoint: 0.000000 0.000000 0.000000 weight: 1.000000
sdcontext: 256x16
basis size: 72247
c dimensions: 81152x215 (317x14 blocks)
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0606104651
ExchangeOperator: pair fraction: ispin=0: 0.1514548405
ExchangeOperator: bisection time: 1.399 s
total exchange = -52.3326855041 (a.u.)
total exchange computation time: 3.0159640312 s
678.14980301
-1082.63784430
89.91569108
-389.79841266
-174.68213162
77.62438061
551.60419304
0.00000000
-931.38557999
4.54318476 -31.08105849 -3.48924769
-0.00005849 -0.00023227 0.00000434
-0.00276473 0.00308488 -0.00288787
-11.60866732 2.15321498 -9.22105529
0.00014377 0.00003121 0.00014189
0.02762251 0.00867962 0.00225303
-36.17907058 1.41772845 3.23844319
0.00013068 -0.00004009 0.00033571
0.00445540 0.04385358 0.00061210
-7.35744702 -3.45331577 2.65356667
0.00011198 0.00002040 0.00002865
-0.02094744 -0.00184845 -0.00626174
2.25045906 -0.03773209 9.09347910
0.00006367 -0.00027620 0.00000813
-0.02385208 0.01344804 0.03595788
-31.08678952 1.62533740 2.54288794
-0.00010832 0.00029302 -0.00003404
-0.02133535 -0.03260516 0.02328771
16.78392609 13.13115165 -18.42733783
-0.00029931 -0.00001189 -0.00043147
0.03776253 0.07084302 0.00615914
-3.46285837 5.04598125 5.44939939
-0.00000946 -0.00006037 -0.00017026
0.02008015 0.00361628 -0.03528785
5.62620362 17.03484831 -7.10509148
-0.00015802 0.00007108 -0.00007794
0.00704295 0.03134643 0.05624912
7.27408505 5.82584541 -20.80257460
0.00026716 0.00025289 -0.00004452
0.01631478 0.00562316 -0.03165876
18.63922522 19.54823126 -5.21363191
0.00012387 -0.00019878 -0.00031036
-0.01345465 -0.01344007 0.01065875
1.99094177 14.16490060 -21.24834252
0.00000043 0.00029517 -0.00006803
-0.03206006 -0.00258663 -0.01880471
10.58482426 -5.29366580 0.42011905
0.00023114 -0.00010146 0.00003073
-0.01799314 0.01587562 -0.00208785
-17.66587382 -4.44736765 5.35233041
0.00049428 -0.00057891 0.00002240
-0.02613938 -0.01691091 -0.01341715
-14.31733623 -1.30205136 20.71727687
-0.00007602 0.00014032 0.00017660
0.00128622 -0.02097833 0.04359758
1.60906282 3.71576586 -4.07088402
0.00005170 0.00000438 -0.00015475
0.01158472 0.01549781 -0.03140897
21.18810123 -10.57751370 -4.42170913
-0.00030881 0.00004974 0.00019942
0.03303845 0.02366924 -0.02081135
3.10555101 -10.56649807 7.61431247
0.00014073 -0.00022569 -0.00037487
-0.04876002 0.00289629 0.01148585
-2.01420096 -1.79324015 -19.87054612
-0.00020747 -0.00006471 -0.00025038
0.00862437 0.01351837 0.01875816
-0.71378333 3.80937027 -10.59723225
-0.00038283 0.00023149 -0.00007978
0.00304935 -0.01267542 0.04582238
-4.92635088 14.78913332 14.37581997
0.00010445 0.00032281 -0.00009774
0.00132228 0.00248623 -0.00774469
-5.25801141 2.78436347 -7.07139346
0.00020433 0.00000067 0.00024779
0.00774151 0.00455052 -0.00861744
-9.17712334 0.94604915 -4.06460919
0.00022267 0.00002165 -0.00021764
-0.02000803 -0.00274102 0.02370071
2.84338589 27.47527404 5.79591960
-0.00001677 0.00006149 0.00015476
0.01946189 0.04344002 0.01154744
9.73262045 -10.81869147 -1.45846621
-0.00029290 0.00010861 0.00001224
-0.03035988 -0.00382556 -0.00302281
-6.77748775 1.02409931 9.25812575
-0.00010751 -0.00005022 -0.00008673
-0.00589920 0.04918688 0.01317576
20.19323534 10.73526973 6.90670178
-0.00011124 -0.00019003 -0.00004989
-0.06740729 -0.00664738 0.00092077
-3.05618997 1.02058483 -23.99222557
0.00008747 -0.00015990 -0.00015969
-0.06344486 -0.00546564 0.03261465
-13.48806683 8.64350326 8.78977762
0.00015113 -0.00029360 0.00014907
-0.02660162 -0.02172574 -0.02690879
-13.67636400 5.92906266 -3.56254623
-0.00015174 -0.00016878 -0.00022450
-0.00778770 0.02604286 -0.01972615
-2.60546012 -15.48988102 20.54126773
-0.00046281 -0.00010428 0.00005806
0.01954621 0.00141214 -0.00356686
-5.90506849 7.99118978 -7.86176299
0.00018183 0.00022683 0.00014555
0.00112661 -0.03720283 0.00868105
-19.54348566 30.25782836 0.86399304
0.00016799 0.00002269 -0.00005699
-0.02344612 0.00610297 0.00979560
9.88769593 3.78111485 7.91780208
0.00005872 -0.00008751 -0.00014929
0.00912131 0.02586986 0.01633330
7.26732025 16.21080767 -11.54742217
0.00000077 0.00015434 0.00002967
-0.00456750 0.02392397 -0.01232419
13.48350797 4.70737562 -1.27365209
-0.00014910 -0.00039661 -0.00006822
-0.02205023 0.05252809 -0.02115376
-5.96023670 11.70391547 -1.67668614
0.00033968 0.00011320 0.00053817
-0.01743191 0.00480407 0.00691466
7.65035128 12.53063468 5.26805412
-0.00034635 -0.00006634 0.00002533
0.02207588 -0.04819859 -0.00800530
21.28590045 -11.82446243 -9.38849739
-0.00059659 0.00033105 0.00016873
-0.05523965 -0.00099859 0.00412072
19.66202533 -5.76785648 -0.80101298
-0.00019000 0.00023946 0.00033604
-0.00193023 -0.01617506 0.01083556
15.13439523 8.01921226 9.03912975
0.00046479 0.00000091 0.00047460
-0.01351561 0.01184043 -0.01868793
3.80793399 -13.77084448 16.35939180
-0.00013765 -0.00013977 0.00003392
-0.00019746 -0.03268227 -0.00216681
-2.58162053 -2.21902650 -13.51842212
-0.00008731 0.00014410 0.00023104
-0.01246557 -0.00165390 -0.00555031
15.47331776 -7.42982252 -13.17313727
-0.00015703 -0.00000045 0.00002461
0.02255087 -0.00442421 0.00101569
9.87207728 -3.85650612 6.48350966
0.00017397 -0.00015850 -0.00018779
-0.04156919 0.02483640 0.02178172
-19.45159514 1.39588888 24.83562203
-0.00007138 0.00000927 0.00004638
0.01538492 0.00707639 -0.00141072
24.01312201 -1.01819412 -7.36201067
-0.00032167 0.00022054 -0.00003565
0.00182132 -0.00026834 -0.00446313
11.66531116 -10.24332991 -11.37268963
0.00009737 0.00038583 -0.00003617
-0.00300453 -0.02050824 0.02546589
-9.02106227 -10.62102702 16.23827284
-0.00033188 0.00020283 -0.00032435
0.03247649 -0.00422070 0.01580108
7.11192178 1.55786987 -27.95088058
0.00024188 -0.00016860 -0.00013766
0.01951636 -0.00262574 -0.00265112
12.58340138 18.46293664 12.71809525
0.00002669 -0.00035093 -0.00029936
0.06037564 0.00254648 -0.00450637
26.08595656 7.54590327 -11.04427643
0.00016830 -0.00002820 0.00014674
-0.01754413 -0.00320803 0.03055213
4.97618192 -29.80967267 -4.75461149
-0.00038492 0.00024488 0.00039383
0.00098830 -0.00037900 -0.00442552
3.84319812 -30.12127523 -2.08817372
0.00003530 -0.00105715 -0.00005239
0.00176138 -0.00698466 0.00630579
-9.89718045 2.68773232 -8.63340625
0.00075894 0.00081701 0.00035506
-0.03100494 -0.01036903 -0.01039831
-11.77867052 2.63041630 -11.00053819
0.00013547 0.00039473 0.00006142
0.00092817 0.00112577 0.00241954
-36.69562280 3.32917595 2.91260737
0.00012028 0.00066118 -0.00086893
0.01608246 -0.03324215 -0.00812773
-37.78945995 0.71216457 3.52210736
-0.00128934 0.00037834 -0.00090741
-0.02672175 -0.01422450 0.00419716
-8.93629648 -3.87519178 1.68600427
-0.00002154 0.00021698 0.00102026
0.01899704 -0.00236332 0.00916525
-6.53923011 -5.06631584 2.89314071
-0.00052605 -0.00029491 0.00002413
0.00001850 -0.00163150 -0.00153924
2.98884645 -0.08934552 7.51026442
0.00017300 -0.00011485 0.00093749
0.02352932 -0.00355749 -0.03947529
1.42664534 1.62092033 9.20615453
-0.00100312 -0.00015858 0.00000755
0.00078884 -0.01397012 0.00149010
-30.09250178 0.10619481 2.98242732
-0.00032554 -0.00050577 0.00030329
-0.00051368 0.00937928 -0.00887721
-32.85850355 0.93217140 2.81440419
0.00054179 0.00045899 -0.00003306
0.02381833 0.02123712 -0.00618263
15.84589756 11.70506997 -18.51222383
0.00022654 0.00025862 -0.00000663
-0.04522238 -0.06106127 -0.00331285
18.35597640 12.59215462 -17.66501705
0.00070830 -0.00008311 0.00005108
0.00376417 -0.00430977 0.00593456
-2.87231502 6.63426683 6.17579607
-0.00008038 -0.00033590 0.00011009
-0.00206576 -0.00276518 -0.00304513
-2.63648356 4.98874734 3.73527402
0.00057254 -0.00056955 -0.00030362
-0.01663878 0.00163130 0.03437859
6.48617304 16.45068271 -8.56711180
0.00122811 0.00001531 0.00031349
0.01243580 -0.00985463 -0.03453747
6.97460681 17.99489272 -6.18946792
-0.00117214 -0.00120823 0.00052858
-0.02387081 -0.01557079 -0.01376440
7.70176231 5.56701288 -22.68542264
-0.00112121 0.00050767 0.00033280
-0.00674858 0.00500294 0.02484818
8.51890640 7.13620147 -20.37646843
-0.00060395 0.00053642 0.00185798
-0.00315327 -0.00530106 0.00633471
18.98587759 21.11900269 -4.32158366
-0.00103546 0.00070900 0.00113555
-0.00156301 0.00624622 0.01164257
19.54322694 19.70196609 -6.73311878
0.00030616 -0.00049439 0.00011461
0.01733755 0.00046309 -0.02058817
1.33654510 12.43281357 -21.23999295
0.00055987 0.00050352 -0.00105482
0.01743441 0.00137326 0.00780657
0.57857357 14.87598076 -22.28974008
-0.00050812 0.00030604 0.00038746
0.01106509 0.00615203 0.01605613
9.82764243 -6.94371562 0.37705175
-0.00013361 -0.00001689 0.00078791
0.00302061 -0.00962638 -0.00506995
9.25072100 -4.13002799 -0.21502919
-0.00102706 0.00077113 0.00056271
0.01549697 -0.00602784 0.00129928
-18.24273663 -5.69334715 6.58874600
0.00039926 -0.00013799 -0.00031111
0.00787188 0.00792416 0.00103129
-18.77671203 -4.92370776 3.91293492
0.00034557 0.00058856 -0.00009952
0.01730941 0.00652804 0.01160578
-14.53112617 -0.25457625 19.31776160
-0.00040401 -0.00044413 -0.00070201
-0.00543362 0.02479676 -0.04233144
-14.64185786 -0.19353243 22.15615116
-0.00040165 -0.00008917 0.00005528
0.00487680 -0.00540630 -0.00243516
0.99231194 2.57056993 -2.83376592
-0.00029568 -0.00078148 -0.00069613
-0.00599316 -0.01477931 0.00616160
1.80764586 2.83405487 -5.69658278
-0.00065074 0.00041748 -0.00044636
-0.00435570 -0.00313321 0.02599781
21.24263294 -10.26478178 -6.31199158
-0.00016223 0.00066715 -0.00018390
-0.00457956 -0.01070690 0.03193064
22.91027457 -9.98729806 -3.89808150
0.00160841 0.00051217 -0.00098003
-0.02834396 -0.00723935 -0.00585154
4.61698140 -10.39286295 6.74552632
-0.00067118 -0.00021853 0.00004237
0.04166363 0.00122292 -0.01919049
3.39090568 -11.44737000 9.16962315
0.00008457 0.00070471 0.00014269
0.00529434 -0.00334743 0.00504409
-1.97521293 -3.43734899 -20.62355612
0.00014094 -0.00062329 0.00004731
-0.00369885 -0.01947319 -0.01489274
-2.86150141 -2.07248382 -18.27747221
0.00128013 0.00022816 -0.00025246
-0.00271148 0.00522022 -0.00161476
0.89608368 4.67698625 -10.60437507
-0.00023233 -0.00050053 -0.00019554
0.00042379 0.00626240 -0.00058268
-0.89192907 3.28889800 -8.74730395
0.00137045 0.00089388 -0.00119009
-0.00215469 0.01279046 -0.04394189
-4.22891702 15.83861018 15.67113170
-0.00102233 -0.00020334 -0.00047990
0.00767908 0.00345048 0.00639030
-6.69394990 15.15973415 14.54699592
0.00030076 -0.00023570 -0.00091684
-0.00808386 -0.00507149 -0.00146828
-6.47786124 2.07201314 -5.90514604
0.00062967 -0.00030399 0.00027827
-0.00731932 -0.00917321 0.00276691
-5.19941738 1.71594600 -8.55988379
-0.00138878 0.00106165 -0.00002036
-0.00595591 0.00420156 0.00294667
-10.02984757 -0.63376367 -3.64210799
-0.00019945 0.00066943 0.00054273
0.00857580 0.00828528 -0.00622009
-9.84399815 2.19343744 -2.74447357
-0.00041310 0.00033589 0.00024755
0.02049587 -0.01324374 -0.03008712
3.53455927 29.02621512 4.94719480
0.00029595 -0.00009223 0.00004433
-0.01520138 -0.02703196 0.00090070
3.05691642 27.99391067 7.56945499
-0.00042242 0.00056010 -0.00129689
-0.00554290 -0.01010561 -0.00980823
7.85701199 -11.19136389 -1.51680654
-0.00053410 -0.00040075 -0.00091658
0.03981372 0.00902707 0.00369827
10.57083499 -11.76175173 -0.07136434
-0.00105098 -0.00105274 -0.00057063
-0.01442434 0.00622324 -0.00681219
-5.36642146 0.04558116 8.81898667
0.00069983 0.00025715 0.00030901
0.02065720 -0.02691252 -0.00937968
-8.33227208 0.17785277 9.13000185
-0.00000702 0.00060904 0.00044060
-0.01494367 -0.02194995 -0.00210220
19.89476078 10.62996074 8.70305394
-0.00145515 -0.00074689 0.00053360
0.00434456 -0.00074980 0.00229229
21.90448279 10.75763209 6.66812774
0.00087907 0.00021498 -0.00025852
0.06718170 0.00553972 -0.00223132
-3.02608062 -0.15936323 -22.41282695
-0.00020447 0.00074031 0.00012346
0.00289596 0.02777078 -0.02888380
-4.94984114 1.62624603 -23.99629076
-0.00043649 0.00048898 0.00008695
0.05960567 -0.01967409 -0.00207685
-12.34153361 9.84272378 9.54921286
0.00032716 -0.00030845 0.00012282
0.01159896 0.01530793 0.00587721
-13.75929026 9.23471019 7.04626437
-0.00079572 -0.00039766 0.00043586
0.00343675 0.00074915 0.02119737
-14.91522016 4.88860999 -4.47026957
-0.00023417 -0.00045948 -0.00057531
0.01337787 -0.00362546 0.00052220
-13.60666435 7.53022832 -4.56769255
0.00000350 -0.00015475 -0.00070168
-0.00285671 -0.02453725 0.02170804
-4.31479035 -15.95645374 20.60882541
-0.00018571 -0.00069364 0.00075725
-0.02994975 -0.00792816 0.00521279
-1.95388553 -16.68299066 19.30443364
-0.00011040 0.00024996 -0.00053099
0.00435705 0.00778980 0.00425141
-5.72518075 6.15492974 -7.44996290
-0.00066356 0.00041051 -0.00021615
0.00839470 0.01214578 -0.01133049
-7.29456550 8.34233702 -6.73257736
0.00040741 0.00054138 0.00003097
-0.00407850 0.01574822 -0.00351328
-20.76059920 28.88856897 1.06624330
0.00005008 -0.00087410 -0.00003330
0.01069936 0.00924856 -0.00912803
-18.02212736 29.56939345 0.17651660
0.00017931 -0.00035122 -0.00017118
0.00454881 -0.00897601 0.00361786
9.08214826 2.81000627 6.62045576
-0.00009878 0.00100101 0.00076934
-0.00811223 0.00164569 -0.00896117
9.30486958 5.61927999 8.05217153
0.00070880 -0.00077097 0.00081070
0.00625427 -0.03007819 -0.00291343
7.77122753 17.81141577 -12.36774095
0.00039949 -0.00010036 -0.00001495
-0.00173957 -0.01924146 0.01025348
8.37546353 15.01964534 -12.31682098
-0.00024517 0.00047956 0.00023714
0.00880580 -0.01044108 -0.00108034
12.18909555 6.12260031 -1.18835836
0.00041804 -0.00002270 0.00019405
0.03206118 -0.03633845 0.00344034
13.48913059 3.75712107 0.26585718
-0.00073452 0.00025892 0.00020792
-0.00401957 -0.00558458 0.02318486
-4.68520655 10.48489631 -1.96278330
0.00027221 0.00009239 -0.00095455
0.02996012 -0.01218557 -0.01014217
-6.95763505 10.86699678 -0.38711409
-0.00075351 0.00051380 0.00111244
-0.00409865 0.00739903 -0.00067737
7.61010184 14.27363083 5.16220682
0.00054000 0.00067612 0.00038383
-0.00087003 0.04829571 -0.00315185
9.27377373 11.96783092 4.49771614
0.00091367 -0.00038237 0.00006637
-0.01685094 0.00483118 0.00494014
20.00907117 -13.09187895 -8.77699140
-0.00080517 -0.00015566 0.00010443
0.01678072 0.02275867 -0.00784058
22.76444275 -12.73087536 -9.68437378
-0.00080688 -0.00100471 -0.00128426
0.03085843 -0.01929490 -0.00518367
19.53316253 -4.92792730 -2.40785890
-0.00056150 0.00047444 0.00006921
-0.00498756 0.00475871 -0.01171578
18.38325083 -7.11981180 -0.77597535
0.00029549 -0.00114152 0.00124644
0.00822546 0.00676945 -0.00300927
13.86042976 9.33541656 9.32663258
-0.00025811 -0.00066318 0.00023194
0.00878728 -0.00839302 -0.00240415
15.63417181 7.55977580 10.69817617
0.00096724 -0.00008654 -0.00020669
0.00634140 -0.00236315 0.02361726
3.10717279 -15.24786494 17.32001845
0.00055765 -0.00008938 -0.00087063
0.00292444 0.02980725 -0.00877185
3.23714731 -12.18513118 17.06209402
0.00050931 0.00043948 -0.00075153
0.00001830 -0.00612040 0.00504242
-2.75683206 -3.76534351 -12.57279583
-0.00006569 0.00028668 -0.00055352
0.00433153 0.00062999 -0.00336238
-0.85310298 -2.02766606 -14.07245446
0.00039992 -0.00028325 -0.00061106
0.00487064 0.00024209 0.01070345
15.71736610 -7.60054405 -15.00085763
-0.00013775 -0.00075823 -0.00052976
0.00136314 -0.00303868 0.00411317
17.03941349 -8.12314589 -12.39996217
0.00072320 0.00034383 -0.00030091
-0.02390344 0.00940576 -0.00757767
8.35693182 -3.16862889 5.60218145
0.00030174 0.00046604 -0.00137323
0.02752467 -0.01830130 0.00467962
11.02687658 -4.57830414 5.36063907
0.00095872 0.00008802 -0.00025502
0.01559253 -0.00541215 -0.02846439
-20.65610505 0.06305030 24.99039138
-0.00001527 -0.00146615 -0.00088094
-0.01420841 -0.00215986 0.00272779
-19.72092486 2.72439639 26.10699673
-0.00041522 -0.00030987 -0.00038059
-0.00286807 -0.00901862 -0.00439225
25.05594551 -2.52863962 -7.50652737
0.00034355 -0.00048236 0.00067965
0.00386176 -0.00358709 0.00745887
23.75300801 -0.62352634 -9.11878052
0.00044337 0.00116419 -0.00036665
-0.00029509 0.00315668 -0.00711897
12.27124340 -10.82679129 -9.67216101
0.00093765 -0.00041307 -0.00056783
-0.00491026 0.02012276 -0.01907792
12.87609568 -9.07769141 -12.11403407
-0.00019956 0.00049459 0.00077164
0.01169871 0.00407445 0.00382699
-7.41996164 -10.73437032 17.30465434
0.00034988 0.00025650 -0.00033816
-0.02488499 0.00658095 -0.02044941
-10.10007094 -9.95335298 17.53134572
-0.00058837 0.00077531 -0.00059016
-0.01710575 -0.00048386 0.00463423
8.29048009 1.22282206 -29.39919696
0.00029640 0.00052247 0.00059110
-0.00416228 0.01365395 0.01129791
5.51190457 0.93763513 -28.42360323
-0.00002378 0.00017877 -0.00019616
-0.02298330 -0.01085034 -0.00841020
13.94952745 19.35770909 13.70654287
-0.00045909 0.00022710 0.00023386
-0.03234114 -0.01336483 -0.01420578
13.70372941 17.67475397 11.39137984
0.00037853 -0.00018042 0.00024998
-0.02620777 0.00964018 0.01931011
27.76559442 7.82261771 -11.64137723
0.00008395 0.00004376 -0.00073643
0.02245606 0.00214081 -0.00825208
26.23604130 7.70523206 -9.14597074
0.00016392 0.00021632 0.00034309
-0.00236411 0.00143972 -0.01572931
-7.79535312 4.72888902 6.20604562
0.00007694 -0.00000695 0.00013781
-0.00377548 -0.00306219 0.00085329
-10.18574399 9.08173712 3.15156883
0.00033026 -0.00011697 0.00027186
0.00476792 -0.00106108 0.00273753
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.07650086
0.30907913
411.83244670
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0606104651
ExchangeOperator: pair fraction: ispin=0: 0.1514548405
ExchangeOperator: bisection time: 1.429 s
total exchange = -52.3253193277 (a.u.)
total exchange computation time: 3.0139069557 s
-153.9128113662
-931.38564965
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0606104651
ExchangeOperator: pair fraction: ispin=0: 0.1514548405
ExchangeOperator: bisection time: 1.420 s
total exchange = -52.3251858643 (a.u.)
total exchange computation time: 3.0138030052 s
-153.9139251291
Anderson extrapolation: theta=1.3424929738 (1.3424929738)
-931.38590504
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0606104651
ExchangeOperator: pair fraction: ispin=0: 0.1514548405
ExchangeOperator: bisection time: 1.419 s
total exchange = -52.3249455455 (a.u.)
total exchange computation time: 3.0141539574 s
-153.9158281791
Anderson extrapolation: theta=0.0497765131 (0.0497765131)
-931.38605656
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0606104651
ExchangeOperator: pair fraction: ispin=0: 0.1514548405
ExchangeOperator: bisection time: 1.421 s
total exchange = -52.3248802911 (a.u.)
total exchange computation time: 3.0144720078 s
-153.9163393131
Anderson extrapolation: theta=1.9055444863 (1.9055444863)
-931.38606197
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0606104651
ExchangeOperator: pair fraction: ispin=0: 0.1514548405
ExchangeOperator: bisection time: 1.419 s
total exchange = -52.3247348915 (a.u.)
total exchange computation time: 3.0167179108 s
-153.9174358103
Anderson extrapolation: theta=0.2191084519 (0.2191084519)
-931.38606748
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0606104651
ExchangeOperator: pair fraction: ispin=0: 0.1514548405
ExchangeOperator: bisection time: 1.421 s
total exchange = -52.3246955272 (a.u.)
total exchange computation time: 3.0128419399 s
-153.9176925252
Anderson extrapolation: theta=1.9182957834 (1.9182957834)
-931.38606854
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0606104651
ExchangeOperator: pair fraction: ispin=0: 0.1514548405
ExchangeOperator: bisection time: 1.421 s
total exchange = -52.3246341536 (a.u.)
total exchange computation time: 3.0129139423 s
-153.9180356324
Anderson extrapolation: theta=0.2858430788 (0.2858430788)
-931.38606989
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0606104651
ExchangeOperator: pair fraction: ispin=0: 0.1514548405
ExchangeOperator: bisection time: 1.421 s
total exchange = -52.3246317416 (a.u.)
total exchange computation time: 3.0145750046 s
-153.9179854735
Anderson extrapolation: theta=1.3021959235 (1.3021959235)
-931.38607023
21.032291 27.412692 -165.900016
559.659279 1074.944941 -408.003493
580.691570 1102.357633 -573.903509
1371.772681
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0606104651
ExchangeOperator: pair fraction: ispin=0: 0.1514548405
ExchangeOperator: bisection time: 1.331 s
total exchange = -52.3246402286 (a.u.)
total exchange computation time: 3.0137369633 s
678.03344272
-1082.37781817
89.91992506
-389.97539713
-174.66158266
77.48022163
551.60419304
0.00000000
-931.38607041
4.54229670 -31.08453066 -3.48919373
-0.00005958 -0.00023119 0.00000206
-0.00146678 0.00111689 -0.00596401
-11.60640424 2.15371668 -9.21891828
0.00015908 0.00003618 0.00014310
0.03193118 0.01062123 0.00244653
-36.17709322 1.41729625 3.24348127
0.00013078 -0.00001781 0.00033609
-0.00406813 0.04279746 0.00082960
-7.35584807 -3.45301697 2.65397223
0.00010167 0.00001955 0.00002581
-0.01915413 -0.00142638 -0.00476014
2.25132213 -0.04182327 9.09373977
0.00005005 -0.00026844 0.00002840
-0.02913042 0.01675679 0.04284638
-31.08849661 1.62960689 2.54246720
-0.00011792 0.00027568 -0.00002188
-0.01598284 -0.03480772 0.02400110
16.77958214 13.13124657 -18.43378614
-0.00027757 0.00002497 -0.00042740
0.04677202 0.07250040 0.00967860
-3.46292280 5.04508966 5.44670935
0.00000094 -0.00005892 -0.00018885
0.02035583 0.00200417 -0.03698082
5.62386047 17.03603535 -7.10604367
-0.00015516 0.00008588 -0.00005062
0.00406531 0.02622212 0.05000953
7.27815534 5.82966046 -20.80336452
0.00027500 0.00025575 -0.00005958
0.01419643 0.00551332 -0.02689613
18.64103142 19.54519774 -5.21824623
0.00011679 -0.00020414 -0.00030313
-0.01407776 -0.00742846 0.01747439
1.99082459 14.16931817 -21.24943546
-0.00001593 0.00029452 -0.00007783
-0.03158571 0.00006597 -0.01933113
10.58822190 -5.29512653 0.42057200
0.00022053 -0.00009227 0.00002912
-0.02325064 0.01986786 -0.00418868
-17.65856046 -4.45611658 5.35261463
0.00048125 -0.00058674 0.00001502
-0.02454099 -0.01351065 -0.01527844
-14.31847160 -1.30002752 20.72009400
-0.00007541 0.00012985 0.00019786
0.00109765 -0.01974349 0.03909649
1.60988305 3.71589140 -4.07332647
0.00005739 0.00001189 -0.00017036
0.01053377 0.01369525 -0.02927947
21.18359652 -10.57667625 -4.41879816
-0.00028961 0.00006280 0.00018854
0.04160687 0.02708910 -0.02148995
3.10747391 -10.56987218 7.60873371
0.00011380 -0.00022447 -0.00036790
-0.05596330 0.00183071 0.01560731
-2.01727980 -1.79415858 -19.87422947
-0.00020222 -0.00005827 -0.00024230
0.01178596 0.01149032 0.01265426
-0.71951395 3.81279379 -10.59825214
-0.00038094 0.00022546 -0.00005795
0.00428251 -0.01080899 0.03907073
-4.92477908 14.79398499 14.37432402
0.00010497 0.00032267 -0.00010330
0.00069211 -0.00300901 -0.01386985
-5.25491656 2.78439103 -7.06770983
0.00020829 0.00000356 0.00024389
0.00763473 0.00669560 -0.00655402
-9.17386040 0.94636331 -4.06778244
0.00021208 0.00002103 -0.00020481
-0.02119998 0.00034532 0.02619552
2.84320942 27.47636393 5.79828552
-0.00000693 0.00008332 0.00015844
0.01878974 0.04145900 0.00276413
9.72810977 -10.81707707 -1.45829421
-0.00030909 0.00010652 0.00001051
-0.03259199 -0.00429019 -0.00371750
-6.77912322 1.02353580 9.25687569
-0.00010888 -0.00002477 -0.00008011
0.00057252 0.04976464 0.01253865
20.19130672 10.73239363 6.90595692
-0.00014341 -0.00019350 -0.00004862
-0.05767452 -0.00684776 0.00403724
-3.05512270 1.01816529 -23.99449514
0.00005418 -0.00016216 -0.00014322
-0.06601346 -0.00333586 0.03144521
-13.48590249 8.63901547 8.79190989
0.00013765 -0.00030472 0.00013582
-0.02581831 -0.02152665 -0.02463816
-13.67867007 5.92663141 -3.56598979
-0.00015617 -0.00015546 -0.00023513
-0.00946891 0.02576948 -0.02161961
-2.61232692 -15.49143976 20.54212489
-0.00045247 -0.00010378 0.00005586
0.02066221 0.00051710 -0.00498035
-5.90233668 7.99444866 -7.85954624
0.00018253 0.00020813 0.00014968
0.00157369 -0.03550652 0.00737966
-19.54105630 30.25819222 0.86317592
0.00015550 0.00002456 -0.00005201
-0.02512187 0.00117189 0.00958092
9.88861189 3.77990198 7.91562572
0.00006490 -0.00007387 -0.00013913
0.01490915 0.02716429 0.02319063
7.26731413 16.21321508 -11.54702465
-0.00000209 0.00016705 0.00002379
-0.00654445 0.02549115 -0.01053726
13.48118644 4.70162912 -1.27475703
-0.00016035 -0.00036967 -0.00007899
-0.02169155 0.05224138 -0.02070808
-5.95520879 11.70563206 -1.66858692
0.00033021 0.00011504 0.00054245
-0.01937852 0.00233513 0.00971949
7.64524111 12.52945360 5.26840324
-0.00033360 -0.00008964 0.00002040
0.02750718 -0.04238193 -0.01116490
21.27673854 -11.81950060 -9.38595051
-0.00062353 0.00032899 0.00017067
-0.04951203 -0.00700079 0.00342739
19.65916788 -5.76432703 -0.79593052
-0.00019155 0.00023065 0.00034125
-0.00410130 -0.01808401 0.00940338
15.14131488 8.01927166 9.04617669
0.00045759 0.00000709 0.00046401
-0.01445948 0.01218129 -0.02250491
3.80586849 -13.77306711 16.35989223
-0.00013705 -0.00015566 0.00003182
0.00253544 -0.02909012 -0.00598701
-2.58297823 -2.21687134 -13.51497788
-0.00009229 0.00014434 0.00022718
-0.00692523 0.00256935 -0.00945758
15.47104932 -7.42984639 -13.17276423
-0.00014457 -0.00000306 0.00002428
0.02590452 -0.00572030 -0.00228586
9.87452647 -3.85878784 6.48077689
0.00015262 -0.00014596 -0.00017796
-0.04144638 0.02394569 0.01642028
-19.45260646 1.39605517 24.83631226
-0.00006454 0.00001078 0.00004507
0.01121558 -0.00117430 -0.00368516
24.00830400 -1.01488707 -7.36256262
-0.00031995 0.00021944 -0.00003860
0.00487485 -0.00399485 -0.00702745
11.66676005 -10.23762152 -11.37313400
0.00009543 0.00037467 -0.00002272
-0.00450534 -0.02290245 0.02685171
-9.02591521 -10.61800089 16.23346857
-0.00031482 0.00020073 -0.00031572
0.03385498 -0.00393270 0.01773106
7.11562533 1.55533067 -27.95295575
0.00025090 -0.00016988 -0.00013818
0.01555584 -0.00232019 0.00065386
12.58403456 18.45768258 12.71358740
0.00005752 -0.00034927 -0.00030117
0.05952102 0.00387514 -0.00253348
26.08841344 7.54546792 -11.04195749
0.00015964 -0.00002974 0.00016242
-0.01614303 -0.00279814 0.03041176
4.97043845 -29.80601104 -4.74883962
-0.00038077 0.00024306 0.00037525
0.00104049 -0.00051276 -0.00466839
3.84378167 -30.13734651 -2.08876631
0.00003929 -0.00108127 -0.00002012
0.00018949 -0.00482233 0.00948907
-9.88674642 2.69966976 -8.62839898
0.00062365 0.00077160 0.00030979
-0.03522188 -0.01185974 -0.01176021
-11.77661002 2.63637173 -10.99954279
0.00013941 0.00039834 0.00007361
0.00099814 0.00064274 0.00354888
-36.69332581 3.33807498 2.89932435
0.00018732 0.00052081 -0.00090005
0.01673507 -0.03547070 -0.00710715
-37.80961884 0.71740381 3.50862482
-0.00138284 0.00032761 -0.00089292
-0.01904883 -0.01060784 0.00289771
-8.93603740 -3.87200945 1.70158904
0.00005138 0.00020666 0.00105392
0.01669556 -0.00269042 0.00731211
-6.54712027 -5.07078944 2.89345552
-0.00052508 -0.00030135 0.00001824
0.00045372 -0.00152205 -0.00134662
2.99216241 -0.09117726 7.52311707
0.00027581 -0.00012904 0.00076307
0.02680071 -0.00339011 -0.04590022
1.41162269 1.61811351 9.20631349
-0.00099592 -0.00022232 0.00001262
0.00273694 -0.01723149 0.00098964
-30.09740061 0.09889568 2.98670471
-0.00033036 -0.00046107 0.00026511
-0.00184477 0.01250177 -0.00981231
-32.84964690 0.93970706 2.81371885
0.00063098 0.00054340 -0.00005742
0.01984062 0.02008204 -0.00574231
15.84790986 11.70707817 -18.51242472
0.00003751 0.00000151 -0.00002004
-0.04730827 -0.06479820 -0.00325357
18.36671618 12.59077594 -17.66406895
0.00070977 -0.00009650 0.00006897
-0.00304035 -0.00224575 0.00282187
-2.87358404 6.62914358 6.17735409
-0.00008757 -0.00034505 0.00009757
-0.00145515 -0.00171483 -0.00308140
-2.62840537 4.98025404 3.73177326
0.00050280 -0.00056164 -0.00015961
-0.01749556 0.00224138 0.03611184
6.50497579 16.45061033 -8.56346773
0.00127439 -0.00002276 0.00017760
0.01021931 -0.00877735 -0.03198437
6.95629326 17.97629208 -6.18196096
-0.00125934 -0.00126325 0.00047995
-0.01881622 -0.01135767 -0.01004304
7.68473740 5.57478131 -22.67966927
-0.00114373 0.00052891 0.00042887
-0.00427431 0.00539286 0.02217834
8.50975046 7.14408537 -20.34840465
-0.00061638 0.00051333 0.00187964
-0.00292914 -0.00600230 0.00426718
18.97029779 21.12982907 -4.30419361
-0.00104323 0.00071987 0.00117254
-0.00224050 -0.00092262 0.00646129
19.54835065 19.69456436 -6.73203050
0.00037991 -0.00048998 0.00002799
0.01876425 0.00169989 -0.02181207
1.34547735 12.44040842 -21.25557606
0.00062909 0.00050310 -0.00102225
0.01645307 -0.00157895 0.00813751
0.57129089 14.88075988 -22.28343621
-0.00046198 0.00033152 0.00045297
0.01151817 0.00632132 0.01601173
9.82573079 -6.94426389 0.38871497
-0.00012120 -0.00005486 0.00076722
0.00305597 -0.00896186 -0.00505411
9.23578991 -4.11864574 -0.20654872
-0.00095316 0.00073727 0.00057200
0.02067950 -0.01054481 0.00324885
-18.23650652 -5.69517424 6.58411091
0.00042886 -0.00011082 -0.00030262
0.00661712 0.00537793 0.00312629
-18.77099805 -4.91467925 3.91179770
0.00041528 0.00061357 -0.00005270
0.01681394 0.00571246 0.01131702
-14.53735275 -0.26047839 19.30593426
-0.00042526 -0.00034792 -0.00086662
-0.00497127 0.02230021 -0.03824525
-14.64773324 -0.19503568 22.15690568
-0.00038201 -0.00010859 0.00004642
0.00474078 -0.00410026 -0.00190097
0.98769310 2.55839489 -2.84401906
-0.00031868 -0.00083804 -0.00067411
-0.00526397 -0.01290854 0.00461855
1.79775132 2.84022106 -5.70248159
-0.00066796 0.00040434 -0.00034131
-0.00407692 -0.00329746 0.02542906
21.24005918 -10.25510263 -6.31377163
-0.00018264 0.00062167 -0.00004977
-0.00541358 -0.01155362 0.03372548
22.93353222 -9.97983728 -3.91296129
0.00147682 0.00047720 -0.00100593
-0.03606977 -0.00987919 -0.00682525
4.60819038 -10.39610350 6.74557379
-0.00048651 -0.00021144 -0.00004437
0.04873278 0.00224983 -0.02327035
3.39233651 -11.43690188 9.17191800
0.00010612 0.00069114 0.00016314
0.00525073 -0.00329735 0.00496736
-1.97321225 -3.44729503 -20.62330290
0.00012508 -0.00069657 -0.00001142
-0.00406292 -0.01639810 -0.01385509
-2.84238254 -2.06890145 -18.28130866
0.00126330 0.00024782 -0.00024871
-0.00552966 0.00440272 0.00345407
0.89261174 4.66967014 -10.60732598
-0.00022737 -0.00047237 -0.00020096
0.00200223 0.00752472 -0.00207029
-0.87143837 3.30269809 -8.76650179
0.00135619 0.00093966 -0.00135327
-0.00482383 0.00962092 -0.03593526
-4.24401667 15.83566574 15.66412900
-0.00098390 -0.00017909 -0.00044127
0.01113154 0.00842466 0.01251873
-6.68968621 15.15604322 14.53319832
0.00026194 -0.00025545 -0.00092263
-0.01091668 -0.00459397 -0.00136483
-6.46864053 2.06717218 -5.90088714
0.00059854 -0.00034136 0.00029089
-0.00791959 -0.00911733 0.00341093
-5.22043163 1.73199955 -8.56009893
-0.00141163 0.00107452 -0.00001429
-0.00522964 0.00209944 0.00002767
-10.03257650 -0.62346829 -3.63415769
-0.00016523 0.00069901 0.00051688
0.00817564 0.00619423 -0.00643390
-9.84956663 2.19806997 -2.74168226
-0.00032590 0.00027933 0.00011995
0.02218840 -0.01444082 -0.03237383
3.53853270 29.02400337 4.94788733
0.00023358 -0.00020264 0.00004659
-0.01532798 -0.02701359 0.00020511
3.05041029 28.00200258 7.54970104
-0.00044357 0.00052263 -0.00131790
-0.00481047 -0.00823651 -0.00047437
7.85022052 -11.19709860 -1.53044188
-0.00036857 -0.00036273 -0.00090116
0.04121571 0.00958442 0.00384685
10.55462825 -11.77735220 -0.08013248
-0.00110798 -0.00102758 -0.00059710
-0.01347785 0.00609655 -0.00614847
-5.35529107 0.04861367 8.82333441
0.00077646 0.00015071 0.00027285
0.01685614 -0.02518867 -0.00832352
-8.33283535 0.18631574 9.13654644
-0.00007354 0.00051464 0.00043129
-0.01761483 -0.02425943 -0.00245450
19.87306668 10.61873437 8.71112812
-0.00143275 -0.00074890 0.00053028
0.00661782 -0.00023275 -0.00391715
21.91972754 10.76102656 6.66418163
0.00112909 0.00023740 -0.00026151
0.05520263 0.00543684 0.00076608
-3.02905900 -0.14740755 -22.41186014
-0.00019196 0.00085025 0.00000767
0.00323209 0.02604469 -0.02779690
-4.95456202 1.63297790 -23.99505018
-0.00018896 0.00040707 0.00007801
0.06156395 -0.02042432 -0.00229701
-12.33627081 9.83856612 9.55123520
0.00037249 -0.00024665 0.00014499
0.01058930 0.01494368 0.00497774
-13.77112071 9.22876822 7.05345179
-0.00078107 -0.00039304 0.00051993
0.00373297 0.00151336 0.01995608
-14.91832270 4.88160669 -4.47888315
-0.00017596 -0.00047148 -0.00057047
0.01511343 -0.00224712 0.00184333
-13.60669934 7.52715512 -4.57755249
-0.00000831 -0.00025706 -0.00061164
-0.00292383 -0.02554293 0.02236443
-4.31849373 -15.96710125 20.62034394
-0.00030788 -0.00072656 0.00077831
-0.02985600 -0.00818943 0.00509445
-1.95540797 -16.67900254 19.29659906
-0.00009479 0.00028440 -0.00051066
0.00328262 0.00906971 0.00570042
-5.73487688 6.16145964 -7.45355228
-0.00062801 0.00045566 -0.00026097
0.00900716 0.00995436 -0.01061320
-7.28857936 8.35094025 -6.73222050
0.00038866 0.00060649 0.00001833
-0.00509633 0.01612623 -0.00267091
-20.75952014 28.87574080 1.06546411
0.00009985 -0.00082808 -0.00007143
0.01366540 0.01328316 -0.00953810
-18.01929830 29.56385004 0.17405971
0.00019498 -0.00038578 -0.00015519
0.00312107 -0.00794043 0.00421264
9.08041800 2.82507184 6.63172128
-0.00014086 0.00099715 0.00071886
-0.01248578 -0.00353523 -0.01575047
9.31569330 5.60679378 8.06424274
0.00073113 -0.00088605 0.00079818
0.00467457 -0.02625554 -0.00321653
7.77716657 17.80932074 -12.36765105
0.00039223 -0.00017641 0.00002630
-0.00181229 -0.01798555 0.00993976
8.37205589 15.02651876 -12.31329695
-0.00020475 0.00043115 0.00022977
0.01097683 -0.01325445 -0.00252933
12.19634853 6.12114626 -1.18534212
0.00054694 -0.00016911 0.00020700
0.03103989 -0.03532714 0.00289878
13.47798968 3.76083369 0.26968651
-0.00074979 0.00023497 0.00030291
-0.00345626 -0.00613854 0.02331163
-4.68020534 10.48590870 -1.97741238
0.00038895 0.00004436 -0.00099263
0.02718576 -0.01132223 -0.00849857
-6.96906333 10.87493053 -0.37044817
-0.00076056 0.00054721 0.00110003
0.00064986 0.00895701 -0.00540141
7.61817524 14.28525260 5.16786763
0.00053725 0.00085727 0.00037234
-0.00047666 0.04037507 -0.00247094
9.28696235 11.96224346 4.49886303
0.00083339 -0.00035898 0.00009182
-0.02244419 0.00661471 0.00751875
19.99750788 -13.09351644 -8.77566521
-0.00073466 -0.00005915 0.00007167
0.01773298 0.02448506 -0.00819662
22.75328520 -12.74653723 -9.70379659
-0.00069415 -0.00107477 -0.00130358
0.02432305 -0.01500014 -0.00426945
19.52458721 -4.92066491 -2.40717970
-0.00058261 0.00048990 0.00002620
-0.00534591 0.00280877 -0.00934174
18.38793526 -7.13672720 -0.75737092
0.00033418 -0.00110651 0.00123195
0.01071049 0.01037026 -0.00408482
13.85682738 9.32521173 9.33003800
-0.00022171 -0.00069685 0.00022300
0.00902954 -0.00808813 -0.00196987
15.64887472 7.55840525 10.69579954
0.00099438 -0.00009722 -0.00010378
0.00694310 -0.00286599 0.02675604
3.11562710 -15.24829219 17.30669014
0.00056493 0.00002699 -0.00089987
0.00064297 0.02715237 -0.00553700
3.24478759 -12.17872654 17.05097553
0.00050849 0.00041262 -0.00072957
-0.00042372 -0.00702711 0.00570872
-2.75768469 -3.76102402 -12.58120165
-0.00004922 0.00028169 -0.00056249
0.00373164 -0.00307108 -0.00102668
-0.84695499 -2.03190740 -14.08129237
0.00040979 -0.00028306 -0.00056398
-0.00003974 -0.00014800 0.01234337
15.71534169 -7.61201060 -15.00867800
-0.00013375 -0.00076943 -0.00050509
0.00059128 -0.00244478 0.00796337
17.04952898 -8.11770015 -12.40470809
0.00062073 0.00038395 -0.00033326
-0.02625692 0.01023294 -0.00825734
8.36230139 -3.16219905 5.58172635
0.00041996 0.00038870 -0.00134944
0.03034162 -0.01956027 0.00696568
11.04173516 -4.57714974 5.35594152
0.00101637 0.00007020 -0.00036452
0.01262782 -0.00330974 -0.02513405
-20.65676953 0.04099180 24.97726083
-0.00006295 -0.00146155 -0.00087002
-0.00913107 0.00441591 0.00261768
-19.72724099 2.71947201 26.10115333
-0.00042896 -0.00034335 -0.00039349
-0.00385944 -0.00736997 -0.00192590
25.06121703 -2.53598499 -7.49610407
0.00035147 -0.00048580 0.00070845
0.00001834 0.00190405 0.00663844
23.75964949 -0.60596676 -9.12449836
0.00044426 0.00117308 -0.00038903
0.00072970 0.00119421 -0.00383967
12.28515774 -10.83237072 -9.68126308
0.00091622 -0.00033074 -0.00064479
-0.00558333 0.02017962 -0.01859458
12.87346071 -9.07014763 -12.10234225
-0.00014802 0.00051484 0.00078348
0.01353335 0.00583571 0.00196905
-7.41547602 -10.73032117 17.29895537
0.00024244 0.00028434 -0.00042312
-0.02770604 0.00704543 -0.02114060
-10.10942071 -9.94173808 17.52263539
-0.00065470 0.00077185 -0.00057297
-0.01535976 -0.00121353 0.00377762
8.29479848 1.23107751 -29.38998424
0.00028325 0.00057585 0.00063061
-0.00227417 0.01247399 0.00804356
5.51084360 0.93998418 -28.42680327
-0.00011405 0.00013560 -0.00023044
-0.02120676 -0.01028065 -0.00837150
13.94165009 19.36070602 13.70961541
-0.00059175 0.00017127 0.00017451
-0.03259984 -0.01396124 -0.01484551
13.70860432 17.67234300 11.39572122
0.00027369 -0.00014231 0.00032608
-0.02511384 0.00901762 0.01794133
27.76754172 7.82333978 -11.65267660
0.00017157 0.00005191 -0.00076731
0.02043522 0.00184847 -0.00686257
26.23842764 7.70852096 -9.14130633
0.00015529 0.00022227 0.00027667
-0.00185840 0.00147226 -0.01678765
-7.79420915 4.72877660 6.20811503
0.00007560 -0.00000805 0.00013810
-0.00371547 -0.00310149 0.00078814
-10.18078176 9.07998071 3.15565157
0.00033133 -0.00011721 0.00027248
0.00446217 -0.00103311 0.00260031
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.07652565
0.30954475
412.45286136
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0603197674
ExchangeOperator: pair fraction: ispin=0: 0.1512385073
ExchangeOperator: bisection time: 1.346 s
total exchange = -52.3179268546 (a.u.)
total exchange computation time: 2.9212040901 s
-153.8889634843
-931.38661691
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0603197674
ExchangeOperator: pair fraction: ispin=0: 0.1512385073
ExchangeOperator: bisection time: 1.346 s
total exchange = -52.3178926566 (a.u.)
total exchange computation time: 2.9183330536 s
-153.8893178536
Anderson extrapolation: theta=1.3459487731 (1.3459487731)
-931.38687103
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0603197674
ExchangeOperator: pair fraction: ispin=0: 0.1512385073
ExchangeOperator: bisection time: 1.345 s
total exchange = -52.3177868669 (a.u.)
total exchange computation time: 2.9194080830 s
-153.8901924411
Anderson extrapolation: theta=0.0506627846 (0.0506627846)
-931.38702265
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0603197674
ExchangeOperator: pair fraction: ispin=0: 0.1512385073
ExchangeOperator: bisection time: 1.344 s
total exchange = -52.3177287116 (a.u.)
total exchange computation time: 2.9212038517 s
-153.8906486235
Anderson extrapolation: theta=1.9493418738 (1.9493418738)
-931.38702831
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0603197674
ExchangeOperator: pair fraction: ispin=0: 0.1512385073
ExchangeOperator: bisection time: 1.345 s
total exchange = -52.3175937741 (a.u.)
total exchange computation time: 2.9178459644 s
-153.8916624800
Anderson extrapolation: theta=0.2280691104 (0.2280691104)
-931.38703440
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0603197674
ExchangeOperator: pair fraction: ispin=0: 0.1512385073
ExchangeOperator: bisection time: 1.346 s
total exchange = -52.3175551168 (a.u.)
total exchange computation time: 2.9192039967 s
-153.8919123010
Anderson extrapolation: theta=1.9492836207 (1.9492836207)
-931.38703564
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0603197674
ExchangeOperator: pair fraction: ispin=0: 0.1512385073
ExchangeOperator: bisection time: 1.346 s
total exchange = -52.3174939070 (a.u.)
total exchange computation time: 2.9225518703 s
-153.8922508763
Anderson extrapolation: theta=0.2945936743 (0.2945936743)
-931.38703726
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0603197674
ExchangeOperator: pair fraction: ispin=0: 0.1512385073
ExchangeOperator: bisection time: 1.346 s
total exchange = -52.3174911067 (a.u.)
total exchange computation time: 2.9176809788 s
-153.8922032433
Anderson extrapolation: theta=1.3138826051 (1.3138826051)
-931.38703767
21.093414 27.430288 -165.879526
559.614443 1074.964901 -408.070281
580.707857 1102.395189 -573.949807
1371.829125
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0603197674
ExchangeOperator: pair fraction: ispin=0: 0.1512385073
ExchangeOperator: bisection time: 1.347 s
total exchange = -52.3174992238 (a.u.)
total exchange computation time: 2.9213631153 s
677.92998582
-1082.14515786
89.92261452
-390.13365993
-174.64332131
77.35164702
551.60419304
0.00000000
-931.38703798
4.54139732 -31.08799422 -3.48918578
-0.00006000 -0.00023110 -0.00000180
-0.00016636 -0.00075481 -0.00907043
-11.60389482 2.15430032 -9.21676241
0.00017634 0.00004206 0.00014432
0.03516925 0.01224784 0.00232896
-36.17514726 1.41719421 3.24852576
0.00012641 0.00000376 0.00033656
-0.01291790 0.04106784 0.00099880
-7.35439690 -3.45272918 2.65434107
0.00009240 0.00001892 0.00002381
-0.01689499 -0.00103197 -0.00302267
2.25196048 -0.04578517 9.09433099
0.00003402 -0.00025915 0.00005164
-0.03318832 0.01935013 0.04752352
-31.09032701 1.63360784 2.54223162
-0.00012463 0.00025741 -0.00000942
-0.01011969 -0.03623613 0.02443847
16.77559903 13.13190081 -18.44015978
-0.00025196 0.00006181 -0.00042164
0.05280605 0.07075753 0.01269466
-3.46283019 5.04421353 5.44373402
0.00001136 -0.00005831 -0.00020807
0.02016047 0.00039520 -0.03776504
5.62154868 17.03742469 -7.10661004
-0.00015388 0.00009780 -0.00002694
0.00094742 0.02015101 0.04206120
7.28233515 5.83351804 -20.80436194
0.00028175 0.00025859 -0.00007202
0.01204791 0.00551547 -0.02149239
18.64272902 19.54210692 -5.22272574
0.00010948 -0.00020650 -0.00029268
-0.01436743 -0.00174618 0.02316025
1.99046374 14.17373624 -21.25067754
-0.00003195 0.00029524 -0.00008783
-0.03068539 0.00274285 -0.01952800
10.59144016 -5.29643399 0.42099264
0.00020737 -0.00008127 0.00002654
-0.02790901 0.02293568 -0.00583462
-17.65143643 -4.46496973 5.35278098
0.00046917 -0.00059274 0.00000676
-0.02243705 -0.00983841 -0.01684759
-14.31959850 -1.29815599 20.72321275
-0.00007493 0.00012021 0.00021640
0.00074686 -0.01772560 0.03297375
1.61078455 3.71612260 -4.07599480
0.00006245 0.00001841 -0.00018462
0.00915662 0.01163775 -0.02616971
21.17941279 -10.57562982 -4.41605298
-0.00026636 0.00007745 0.00017738
0.04882091 0.02988576 -0.02189986
3.10896507 -10.57323217 7.60327535
0.00008369 -0.00022378 -0.00035906
-0.06115185 0.00086454 0.01880254
-2.02026770 -1.79498837 -19.87781520
-0.00019537 -0.00005302 -0.00023743
0.01488345 0.00893152 0.00630151
-0.72521154 3.81613392 -10.59897061
-0.00037838 0.00022051 -0.00004001
0.00565543 -0.00843375 0.03069190
-4.92320193 14.79881345 14.37272106
0.00010514 0.00031977 -0.00011195
-0.00002202 -0.00827510 -0.01978983
-5.25176282 2.78447024 -7.06407676
0.00021214 0.00000748 0.00024110
0.00735725 0.00856575 -0.00428882
-9.17076101 0.94668014 -4.07075360
0.00020100 0.00002193 -0.00019090
-0.02187169 0.00315139 0.02791456
2.84317790 27.47777367 5.80067276
0.00000247 0.00010387 0.00015750
0.01776767 0.03843185 -0.00642864
9.72334766 -10.81549577 -1.45815088
-0.00032620 0.00010427 0.00000840
-0.03393850 -0.00447392 -0.00447249
-6.78075427 1.02335621 9.25572237
-0.00010695 0.00000067 -0.00007392
0.00696048 0.04915696 0.01152767
20.18893316 10.72946469 6.90524320
-0.00017014 -0.00019705 -0.00004590
-0.04628842 -0.00696875 0.00652792
-3.05456470 1.01572002 -23.99652212
0.00001986 -0.00016332 -0.00012750
-0.06743974 -0.00119342 0.02967915
-13.48393733 8.63436161 8.79385209
0.00012471 -0.00031565 0.00012394
-0.02448833 -0.02096508 -0.02154247
-13.68104920 5.92439897 -3.56960013
-0.00016143 -0.00014243 -0.00024658
-0.01096341 0.02488118 -0.02291126
-2.61903431 -15.49299451 20.54294362
-0.00044191 -0.00010378 0.00005301
0.02040410 -0.00049301 -0.00610620
-5.89959273 7.99743361 -7.85727257
0.00018342 0.00019043 0.00015313
0.00189404 -0.03332528 0.00604546
-19.53882074 30.25856511 0.86243272
0.00014234 0.00002400 -0.00004719
-0.02604797 -0.00334428 0.00916636
9.88964287 3.77889867 7.91362828
0.00007409 -0.00005983 -0.00012554
0.02083388 0.02744149 0.02964139
7.26725751 16.21581915 -11.54670843
-0.00000592 0.00018031 0.00001884
-0.00833014 0.02609467 -0.00871311
13.47869757 4.69628564 -1.27602172
-0.00017120 -0.00034322 -0.00008930
-0.02051820 0.05059406 -0.01939189
-5.95033039 11.70736666 -1.66041273
0.00032005 0.00011550 0.00054799
-0.02014958 -0.00054270 0.01181724
7.64034315 12.52794556 5.26866623
-0.00031827 -0.00010946 0.00001396
0.03212022 -0.03470200 -0.01389980
21.26719465 -11.81459277 -9.38337719
-0.00064716 0.00032381 0.00017208
-0.04240223 -0.01313341 0.00205620
19.65627879 -5.76093710 -0.79077552
-0.00019414 0.00022098 0.00034565
-0.00596046 -0.01950786 0.00771775
15.14812298 8.01942503 9.05305001
0.00045005 0.00001331 0.00045169
-0.01488120 0.01200937 -0.02538108
3.80382255 -13.77551417 16.36034647
-0.00013499 -0.00016948 0.00002768
0.00547041 -0.02465076 -0.01010668
-2.58438936 -2.21469636 -13.51160661
-0.00009449 0.00014673 0.00022134
-0.00160805 0.00673027 -0.01327917
15.46898072 -7.42991439 -13.17240883
-0.00013058 -0.00000626 0.00002226
0.02850228 -0.00672658 -0.00558655
9.87665592 -3.86088483 6.47817081
0.00013174 -0.00013407 -0.00017098
-0.03973617 0.02227738 0.01072916
-19.45353126 1.39621241 24.83697406
-0.00005977 0.00000803 0.00004253
0.00730483 -0.00953951 -0.00618644
24.00352360 -1.01161084 -7.36316879
-0.00031670 0.00021652 -0.00004287
0.00776106 -0.00736152 -0.00957658
11.66817419 -10.23208981 -11.37337123
0.00009276 0.00036241 -0.00000873
-0.00590054 -0.02478774 0.02753729
-9.03050697 -10.61500510 16.22880109
-0.00029731 0.00019884 -0.00030616
0.03424997 -0.00340258 0.01947942
7.11944890 1.55277358 -27.95502587
0.00025760 -0.00017106 -0.00013697
0.01047686 -0.00229566 0.00405530
12.58512692 18.45245842 12.70906001
0.00008759 -0.00034696 -0.00030195
0.05743137 0.00510527 -0.00047333
26.09074579 7.54501098 -11.03940393
0.00015188 -0.00003105 0.00017783
-0.01404256 -0.00229807 0.02952872
4.96475876 -29.80238083 -4.74335386
-0.00037651 0.00024062 0.00035591
0.00104479 -0.00068316 -0.00480018
3.84437683 -30.15371334 -2.08877735
0.00003693 -0.00109666 0.00002495
-0.00134500 -0.00270895 0.01257508
-9.87847100 2.71088035 -8.62411245
0.00047336 0.00072074 0.00025975
-0.03834387 -0.01303903 -0.01273764
-11.77448834 2.64236655 -10.99832990
0.00014359 0.00039999 0.00009029
0.00104892 0.00016302 0.00461430
-36.69000318 3.34480015 2.88560576
0.00025658 0.00037240 -0.00092696
0.01716861 -0.03717617 -0.00606535
-37.83094517 0.72199293 3.49531987
-0.00144393 0.00029191 -0.00088352
-0.01085493 -0.00686673 0.00170309
-8.93475511 -3.86899200 1.71762194
0.00011396 0.00019489 0.00107952
0.01393855 -0.00307263 0.00522048
-6.55498263 -5.07535632 2.89368780
-0.00052235 -0.00030718 0.00001312
0.00088555 -0.00133114 -0.00115876
2.99712088 -0.09321676 7.53315666
0.00038993 -0.00014231 0.00056692
0.02905820 -0.00310513 -0.05011940
1.39676777 1.61425064 9.20653309
-0.00098119 -0.00029817 0.00001563
0.00447385 -0.01989805 0.00048246
-30.10241249 0.09236275 2.99038075
-0.00034006 -0.00040447 0.00022337
-0.00290450 0.01520499 -0.01062160
-32.83957429 0.94847347 2.81268158
0.00070235 0.00062235 -0.00007971
0.01509771 0.01856551 -0.00516961
15.84702281 11.70511513 -18.51282501
-0.00015512 -0.00026347 -0.00003273
-0.04698274 -0.06491116 -0.00295934
18.37726963 12.58925962 -17.66294791
0.00068449 -0.00010195 0.00007466
-0.00933519 -0.00042394 -0.00003712
-2.87494224 6.62391523 6.17872326
-0.00009225 -0.00034979 0.00008505
-0.00083484 -0.00060282 -0.00304872
-2.62139941 4.97189811 3.73048566
0.00043051 -0.00055134 -0.00001051
-0.01789298 0.00279931 0.03687562
6.52440484 16.45000001 -8.56178385
0.00131024 -0.00005550 0.00005410
0.00732621 -0.00725108 -0.02846961
6.93682653 17.95699537 -6.17506950
-0.00132423 -0.00130002 0.00044797
-0.01294565 -0.00664280 -0.00560989
7.66745054 5.58288023 -22.67255666
-0.00115599 0.00055158 0.00051272
-0.00173103 0.00570415 0.01886679
8.50041501 7.15160141 -20.32007936
-0.00062797 0.00048737 0.00189275
-0.00274425 -0.00670459 0.00215082
18.95458067 21.14059890 -4.28640757
-0.00105316 0.00070234 0.00118864
-0.00262207 -0.00765995 0.00142379
19.55462436 19.68726682 -6.73227900
0.00045826 -0.00048072 -0.00006157
0.01958655 0.00283174 -0.02203048
1.35541795 12.44790650 -21.27066045
0.00069412 0.00049041 -0.00098853
0.01537764 -0.00463176 0.00836961
0.56471411 14.88592641 -22.27615105
-0.00041465 0.00035780 0.00051783
0.01165312 0.00654021 0.01573930
9.82400643 -6.94536140 0.40006844
-0.00010840 -0.00008953 0.00074657
0.00321049 -0.00800937 -0.00505558
9.22212619 -4.10790974 -0.19786913
-0.00085956 0.00068623 0.00058838
0.02513904 -0.01444140 0.00476896
-18.22987087 -5.69667173 6.57966741
0.00045308 -0.00009434 -0.00028531
0.00523837 0.00268680 0.00534654
-18.76425361 -4.90530065 3.91135406
0.00048223 0.00063498 -0.00000790
0.01595987 0.00476561 0.01061257
-14.54388401 -0.26501384 19.29176302
-0.00044415 -0.00026375 -0.00101159
-0.00427672 0.01889949 -0.03271747
-14.65331808 -0.19679022 22.15754370
-0.00036305 -0.00012240 0.00004001
0.00453880 -0.00265899 -0.00123731
0.98275166 2.54542874 -2.85398915
-0.00033821 -0.00088599 -0.00065911
-0.00429769 -0.01056250 0.00272358
1.78760692 2.84618516 -5.70682196
-0.00068392 0.00039009 -0.00023983
-0.00373191 -0.00368133 0.02424644
21.23715364 -10.24613155 -6.31348478
-0.00020639 0.00057308 0.00009004
-0.00621158 -0.01223260 0.03471253
22.95457928 -9.97298196 -3.92825937
0.00131634 0.00043239 -0.00103470
-0.04248653 -0.01205652 -0.00725583
4.60238601 -10.39920616 6.74419511
-0.00027697 -0.00020063 -0.00014552
0.05383900 0.00304368 -0.02624364
3.39408914 -11.42663585 9.17451729
0.00012736 0.00067799 0.00018284
0.00515093 -0.00313952 0.00467639
-1.97146057 -3.45824605 -20.62389881
0.00010760 -0.00075617 -0.00006542
-0.00449512 -0.01277682 -0.01257519
-2.82360256 -2.06504925 -18.28493342
0.00123524 0.00026410 -0.00022422
-0.00820112 0.00356487 0.00853155
0.88926250 4.66281519 -10.61040377
-0.00021629 -0.00043922 -0.00021256
0.00342337 0.00870113 -0.00360914
-0.85124331 3.31708781 -8.78790195
0.00133109 0.00097162 -0.00148030
-0.00746554 0.00602535 -0.02624767
-4.25843411 15.83323761 15.65789352
-0.00093195 -0.00013485 -0.00037799
0.01430032 0.01323001 0.01845862
-6.68609157 15.15207076 14.51931708
0.00021230 -0.00027336 -0.00092803
-0.01338621 -0.00417621 -0.00127970
-6.45990518 2.06177245 -5.89641919
0.00056548 -0.00037816 0.00030566
-0.00826237 -0.00889658 0.00381489
-5.24176638 1.74818175 -8.56031238
-0.00143168 0.00107901 -0.00002007
-0.00458534 0.00009520 -0.00286002
-10.03480438 -0.61279329 -3.62660170
-0.00013303 0.00071955 0.00049043
0.00758529 0.00385754 -0.00651375
-9.85377527 2.20181748 -2.74087502
-0.00023253 0.00021893 -0.00001566
0.02351912 -0.01512818 -0.03400787
3.54156673 29.02013605 4.94859243
0.00017133 -0.00031165 0.00004539
-0.01514365 -0.02635141 -0.00078946
3.04360934 28.00958970 7.52991801
-0.00046163 0.00049359 -0.00129932
-0.00402910 -0.00597870 0.00957122
7.84595500 -11.20224591 -1.54384146
-0.00019937 -0.00032280 -0.00088527
0.04160750 0.00996563 0.00393546
10.53759550 -11.79257904 -0.08927744
-0.00116084 -0.00100313 -0.00062065
-0.01239409 0.00587273 -0.00537846
-5.34312764 0.05010246 8.82717203
0.00083583 0.00005253 0.00024151
0.01220504 -0.02287201 -0.00701627
-8.33447817 0.19329194 9.14294060
-0.00014904 0.00041200 0.00042079
-0.01934586 -0.02598398 -0.00268734
19.85177817 10.60749374 8.71896223
-0.00140116 -0.00074872 0.00050252
0.00884909 0.00032198 -0.00966992
21.93835546 10.76475423 6.66028247
0.00132694 0.00025920 -0.00025191
0.04164538 0.00523004 0.00393238
-3.03183930 -0.13385569 -22.41259689
-0.00017802 0.00095223 -0.00010246
0.00359161 0.02387586 -0.02610941
-4.95550988 1.63845804 -23.99395038
0.00006418 0.00032294 0.00006814
0.06234637 -0.02075521 -0.00253447
-12.33035903 9.83532431 9.55356260
0.00041282 -0.00018726 0.00016302
0.00915525 0.01412565 0.00384515
-13.78272239 9.22291900 7.06186224
-0.00076548 -0.00038503 0.00059780
0.00389885 0.00240922 0.01816278
-14.92049900 4.87446567 -4.48738375
-0.00011113 -0.00047812 -0.00056050
0.01662145 -0.00100335 0.00303856
-13.60691352 7.52251648 -4.58604180
-0.00002031 -0.00036190 -0.00051996
-0.00295112 -0.02577780 0.02251509
-4.32402686 -15.97825066 20.63217469
-0.00042700 -0.00075984 0.00079865
-0.02845311 -0.00810075 0.00486248
-1.95672923 -16.67445857 19.28911384
-0.00008348 0.00032362 -0.00048480
0.00225595 0.01012783 0.00695732
-5.74402101 6.16859961 -7.45779211
-0.00059010 0.00049114 -0.00030257
0.00954882 0.00741341 -0.00974679
-7.28290556 8.36053180 -6.73202732
0.00036610 0.00067289 0.00000891
-0.00595109 0.01637406 -0.00194472
-20.75760359 28.86372672 1.06410037
0.00016055 -0.00076668 -0.00011101
0.01604429 0.01676994 -0.00983522
-18.01627796 29.55781999 0.17186099
0.00020448 -0.00041583 -0.00013658
0.00152769 -0.00676691 0.00489353
9.07792253 2.83992074 6.64202151
-0.00020068 0.00097258 0.00064116
-0.01679748 -0.00849230 -0.02228573
9.32680350 5.59269846 8.07611682
0.00074659 -0.00098398 0.00078468
0.00289442 -0.02167980 -0.00339074
7.78299455 17.80612346 -12.36695198
0.00038503 -0.00024615 0.00006571
-0.00171342 -0.01615280 0.00935196
8.36932097 15.03257987 -12.30992794
-0.00015622 0.00037202 0.00021703
0.01278211 -0.01569296 -0.00370564
12.20550382 6.11752714 -1.18214822
0.00067005 -0.00030945 0.00021775
0.02922253 -0.03337155 0.00235949
13.46663695 3.76417010 0.27494451
-0.00076269 0.00020965 0.00039659
-0.00285703 -0.00625652 0.02254518
-4.67353802 10.48622720 -1.99256231
0.00049264 0.00000145 -0.00102340
0.02356856 -0.00968531 -0.00656285
-6.98045179 10.88341322 -0.35411329
-0.00074886 0.00058627 0.00106926
0.00507678 0.01016322 -0.00966046
7.62621943 14.29934879 5.17337700
0.00053588 0.00100303 0.00036366
-0.00019492 0.03097733 -0.00177664
9.29877544 11.95706140 4.50047071
0.00073208 -0.00032898 0.00012685
-0.02714890 0.00807356 0.00963133
19.98703138 -13.09365334 -8.77484135
-0.00066138 0.00004320 0.00003801
0.01813954 0.02561336 -0.00827886
22.74361831 -12.76311840 -9.72348105
-0.00060981 -0.00112584 -0.00131835
0.01696156 -0.01000116 -0.00296028
19.51568425 -4.91323039 -2.40707301
-0.00060499 0.00049718 -0.00000660
-0.00561189 0.00075624 -0.00671083
18.39327609 -7.15300704 -0.73901684
0.00038216 -0.00105750 0.00121309
0.01277612 0.01362153 -0.00514701
13.85377839 9.31451120 9.33332269
-0.00018479 -0.00072883 0.00021593
0.00904596 -0.00756757 -0.00149207
15.66400314 7.55685907 10.69506268
0.00102339 -0.00010939 0.00000993
0.00725869 -0.00308989 0.02890645
3.12412083 -15.24705537 17.29302249
0.00056238 0.00013086 -0.00091512
-0.00189242 0.02369651 -0.00193148
3.25240190 -12.17275257 17.04020691
0.00050598 0.00038204 -0.00070501
-0.00080289 -0.00794389 0.00631479
-2.75830862 -3.75689275 -12.58967039
-0.00003528 0.00026152 -0.00056194
0.00308916 -0.00680393 0.00129425
-0.84080943 -2.03615782 -14.08937381
0.00040012 -0.00028424 -0.00051033
-0.00469318 -0.00042969 0.01391976
15.71335352 -7.62362698 -15.01601034
-0.00013281 -0.00077820 -0.00046540
-0.00013068 -0.00184996 0.01146516
17.05803529 -8.11162728 -12.40996008
0.00051006 0.00042680 -0.00036768
-0.02791675 0.01074051 -0.00858975
8.36953048 -3.15696799 5.56169816
0.00054789 0.00030704 -0.00131710
0.03228474 -0.02041027 0.00886616
11.05736765 -4.57619819 5.34970359
0.00106048 0.00006173 -0.00045896
0.00896424 -0.00083571 -0.02109603
-20.65799362 0.01920393 24.96429071
-0.00009038 -0.00143031 -0.00085937
-0.00429601 0.01087307 0.00259671
-19.73379366 2.71409596 26.09519189
-0.00044681 -0.00036963 -0.00039603
-0.00487681 -0.00549329 0.00068381
25.06648968 -2.54321367 -7.48527392
0.00034415 -0.00046745 0.00073370
-0.00360436 0.00707797 0.00572355
23.76633570 -0.58833399 -9.13045152
0.00044926 0.00117384 -0.00039784
0.00171961 -0.00081889 -0.00047157
12.29872991 -10.83671342 -9.69150473
0.00089236 -0.00024873 -0.00071866
-0.00609324 0.01996554 -0.01756647
12.87165516 -9.06224621 -12.09052974
-0.00008956 0.00054182 0.00078798
0.01508284 0.00737371 0.00023255
-7.41268839 -10.72584023 17.29196078
0.00012498 0.00031395 -0.00050995
-0.02979387 0.00745254 -0.02136575
-10.11971182 -9.93019756 17.51415659
-0.00071333 0.00076502 -0.00055985
-0.01334114 -0.00212663 0.00264400
8.29897750 1.24009743 -29.38027857
0.00027833 0.00062426 0.00065620
-0.00013499 0.01122347 0.00447983
5.50848294 0.94170317 -28.43051637
-0.00019531 0.00009540 -0.00026410
-0.01856742 -0.00939963 -0.00810486
13.93177482 19.36284731 13.71177813
-0.00072408 0.00011391 0.00011352
-0.03217369 -0.01411694 -0.01500659
13.71194011 17.67048468 11.40116215
0.00017442 -0.00010743 0.00039541
-0.02348052 0.00805480 0.01599917
27.77074143 7.82417514 -11.66439655
0.00024949 0.00005864 -0.00079194
0.01770774 0.00144428 -0.00519302
26.24070009 7.71190009 -9.13767077
0.00014881 0.00022836 0.00020679
-0.00131436 0.00151015 -0.01741778
-7.79308513 4.72864753 6.21018867
0.00007428 -0.00000917 0.00013838
-0.00363919 -0.00313396 0.00074215
-10.17580400 9.07822070 3.15974336
0.00033234 -0.00011745 0.00027307
0.00417796 -0.00100320 0.00244240
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.07661216
0.31042583
413.62684886
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0601744186
ExchangeOperator: pair fraction: ispin=0: 0.1506760411
ExchangeOperator: bisection time: 1.347 s
total exchange = -52.3111258935 (a.u.)
total exchange computation time: 2.9448180199 s
-153.8700782239
-931.38731239
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0601744186
ExchangeOperator: pair fraction: ispin=0: 0.1506760411
ExchangeOperator: bisection time: 1.348 s
total exchange = -52.3112230407 (a.u.)
total exchange computation time: 2.9464151859 s
-153.8695581080
Anderson extrapolation: theta=1.3589619359 (1.3589619359)
-931.38756628
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0601744186
ExchangeOperator: pair fraction: ispin=0: 0.1506760411
ExchangeOperator: bisection time: 1.348 s
total exchange = -52.3113182222 (a.u.)
total exchange computation time: 2.9455010891 s
-153.8691407198
Anderson extrapolation: theta=0.0548844613 (0.0548844613)
-931.38772044
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0601744186
ExchangeOperator: pair fraction: ispin=0: 0.1506760411
ExchangeOperator: bisection time: 1.345 s
total exchange = -52.3112895148 (a.u.)
total exchange computation time: 2.9445710182 s
-153.8694417670
Anderson extrapolation: theta=2.0481907420 (2.0000000000)
-931.38772688
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0601744186
ExchangeOperator: pair fraction: ispin=0: 0.1506760411
ExchangeOperator: bisection time: 1.347 s
total exchange = -52.3112203852 (a.u.)
total exchange computation time: 2.9437241554 s
-153.8701213085
Anderson extrapolation: theta=0.2562921117 (0.2562921117)
-931.38773430
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0601744186
ExchangeOperator: pair fraction: ispin=0: 0.1506760411
ExchangeOperator: bisection time: 1.348 s
total exchange = -52.3112024673 (a.u.)
total exchange computation time: 2.9453048706 s
-153.8702749891
Anderson extrapolation: theta=1.7048452376 (1.7048452376)
-931.38773590
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0601744186
ExchangeOperator: pair fraction: ispin=0: 0.1506760411
ExchangeOperator: bisection time: 1.347 s
total exchange = -52.3111868937 (a.u.)
total exchange computation time: 2.9441871643 s
-153.8703876535
Anderson extrapolation: theta=0.3183091781 (0.3183091781)
-931.38773778
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0601744186
ExchangeOperator: pair fraction: ispin=0: 0.1506760411
ExchangeOperator: bisection time: 1.346 s
total exchange = -52.3111967199 (a.u.)
total exchange computation time: 2.9454731941 s
-153.8702809105
Anderson extrapolation: theta=1.1889667615 (1.1889667615)
-931.38773829
21.162469 27.445594 -165.866827
559.572038 1074.981748 -408.139119
580.734507 1102.427342 -574.005946
1371.889733
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0601744186
ExchangeOperator: pair fraction: ispin=0: 0.1506760411
ExchangeOperator: bisection time: 1.347 s
total exchange = -52.3112184726 (a.u.)
total exchange computation time: 2.9471130371 s
677.84572065
-1081.95106512
89.92340162
-390.26609860
-174.62847873
77.24365431
551.60419304
0.00000000
-931.38773864
4.54049667 -31.09146361 -3.48924781
-0.00005977 -0.00023192 -0.00000724
0.00108368 -0.00245059 -0.01207628
-11.60111408 2.15497845 -9.21458857
0.00019499 0.00004869 0.00014542
0.03736411 0.01354147 0.00193921
-36.17330095 1.41740900 3.25357795
0.00011751 0.00002432 0.00033708
-0.02168295 0.03890421 0.00105159
-7.35307606 -3.45244935 2.65468659
0.00008440 0.00001848 0.00002276
-0.01421218 -0.00067116 -0.00107901
2.25234278 -0.04959780 9.09528884
0.00001629 -0.00024873 0.00007662
-0.03577094 0.02118947 0.04961895
-31.09223547 1.63732924 2.54218457
-0.00012820 0.00023859 0.00000324
-0.00377092 -0.03697195 0.02480534
16.77202330 13.13310093 -18.44643548
-0.00022403 0.00009689 -0.00041445
0.05582217 0.06563370 0.01527159
-3.46258205 5.04334046 5.44046734
0.00002156 -0.00005850 -0.00022746
0.01950150 -0.00115859 -0.03763409
5.61924420 17.03896949 -7.10685193
-0.00015424 0.00010642 -0.00000771
-0.00235628 0.01333578 0.03272332
7.28660791 5.83741817 -20.80552516
0.00028740 0.00026145 -0.00008152
0.00990255 0.00562125 -0.01545153
18.64431578 19.53900262 -5.22702657
0.00010211 -0.00020607 -0.00027964
-0.01427841 0.00344208 0.02753736
1.98986616 14.17817548 -21.25207027
-0.00004740 0.00029732 -0.00009784
-0.02939768 0.00535046 -0.01940184
10.59444312 -5.29756450 0.42136827
0.00019198 -0.00006891 0.00002323
-0.03194655 0.02510905 -0.00704464
-17.64448549 -4.47389879 5.35281736
0.00045829 -0.00059681 -0.00000222
-0.01986995 -0.00599094 -0.01805277
-14.32071963 -1.29642121 20.72658587
-0.00007467 0.00011175 0.00023146
0.00027255 -0.01518458 0.02561829
1.61175669 3.71644357 -4.07886502
0.00006674 0.00002382 -0.00019706
0.00752418 0.00941212 -0.02222717
21.17560571 -10.57435284 -4.41347675
-0.00023973 0.00009338 0.00016610
0.05473885 0.03207980 -0.02198051
3.10998447 -10.57658549 7.59796204
0.00005153 -0.00022353 -0.00034887
-0.06389352 0.00007997 0.02079184
-2.02314079 -1.79574926 -19.88135231
-0.00018696 -0.00004919 -0.00023581
0.01779794 0.00598917 0.00000113
-0.73086549 3.81940899 -10.59945230
-0.00037510 0.00021691 -0.00002679
0.00713069 -0.00554763 0.02068664
-4.92162496 14.80357807 14.37096543
0.00010494 0.00031429 -0.00012352
-0.00075619 -0.01303779 -0.02519320
-5.24855231 2.78461553 -7.06047678
0.00021581 0.00001228 0.00023950
0.00690894 0.01007620 -0.00194219
-9.16783036 0.94702128 -4.07350940
0.00018970 0.00002419 -0.00017629
-0.02205743 0.00562409 0.02888468
2.84328345 27.47947989 5.80301041
0.00001126 0.00012261 0.00015180
0.01643554 0.03444215 -0.01572590
9.71832372 -10.81394899 -1.45804206
-0.00034377 0.00010198 0.00000591
-0.03438977 -0.00441226 -0.00524061
-6.78233162 1.02355585 9.25465797
-0.00010185 0.00002552 -0.00006833
0.01285403 0.04747951 0.01023911
20.18620250 10.72648200 6.90457985
-0.00019084 -0.00020065 -0.00004205
-0.03419638 -0.00699780 0.00843582
-3.05452697 1.01326554 -23.99832013
-0.00001491 -0.00016338 -0.00011285
-0.06777267 0.00097087 0.02729729
-13.48216110 8.62954600 8.79562809
0.00011259 -0.00032621 0.00011384
-0.02266308 -0.02010083 -0.01771590
-13.68351291 5.92235847 -3.57338723
-0.00016740 -0.00013001 -0.00025853
-0.01224587 0.02341171 -0.02356918
-2.62558430 -15.49455306 20.54371524
-0.00043182 -0.00010431 0.00004967
0.01884168 -0.00159690 -0.00689283
-5.89683417 8.00016147 -7.85495225
0.00018444 0.00017396 0.00015590
0.00206726 -0.03069060 0.00472723
-19.53678613 30.25891221 0.86176023
0.00012889 0.00002124 -0.00004263
-0.02625841 -0.00737526 0.00857523
9.89083457 3.77810707 7.91185951
0.00008630 -0.00004598 -0.00010884
0.02664401 0.02642039 0.03528990
7.26713663 16.21862453 -11.54645943
-0.00001058 0.00019362 0.00001481
-0.00982356 0.02566162 -0.00694229
13.47605041 4.69133248 -1.27743601
-0.00018127 -0.00031809 -0.00009878
-0.01861806 0.04711597 -0.01746183
-5.94560743 11.70909707 -1.65214736
0.00030972 0.00011441 0.00055444
-0.02002062 -0.00370242 0.01327734
7.63569298 12.52616981 5.26882199
-0.00030076 -0.00012503 0.00000623
0.03597858 -0.02583891 -0.01613531
21.25732364 -11.80978627 -9.38078800
-0.00066692 0.00031552 0.00017264
-0.03441623 -0.01911597 0.00011135
19.65334372 -5.75769766 -0.78556098
-0.00019759 0.00021071 0.00034914
-0.00747244 -0.02044295 0.00586658
15.15481627 8.01967104 9.05972753
0.00044243 0.00001931 0.00043817
-0.01472197 0.01129453 -0.02719772
3.80181881 -13.77815140 16.36072274
-0.00013137 -0.00018081 0.00002136
0.00859321 -0.01942668 -0.01449733
-2.58581289 -2.21246945 -13.50833778
-0.00009405 0.00015120 0.00021359
0.00332105 0.01065335 -0.01686053
15.46713201 -7.43003428 -13.17209653
-0.00011545 -0.00000991 0.00001856
0.03032338 -0.00743598 -0.00880691
9.87847882 -3.86280995 6.47564750
0.00011209 -0.00012320 -0.00016695
-0.03669637 0.01998764 0.00494297
-19.45439970 1.39629604 24.83758814
-0.00005691 0.00000102 0.00003867
0.00381688 -0.01770575 -0.00883950
23.99880308 -1.00839140 -7.36384884
-0.00031202 0.00021198 -0.00004842
0.01041675 -0.01028846 -0.01199670
11.66954281 -10.22674933 -11.37339601
0.00008941 0.00034933 0.00000542
-0.00712283 -0.02607010 0.02748385
-9.03483450 -10.61203556 16.22428389
-0.00027983 0.00019728 -0.00029575
0.03371070 -0.00266253 0.02097131
7.12335328 1.55019877 -27.95706470
0.00026145 -0.00017230 -0.00013399
0.00448357 -0.00251631 0.00750658
12.58666235 18.44727364 12.70452897
0.00011628 -0.00034405 -0.00030164
0.05412576 0.00622389 0.00165107
26.09296980 7.54453632 -11.03662258
0.00014534 -0.00003209 0.00019261
-0.01138648 -0.00173588 0.02794180
4.95914309 -29.79879249 -4.73816229
-0.00037232 0.00023741 0.00033625
0.00100609 -0.00088716 -0.00482442
3.84488956 -30.17024619 -2.08801771
0.00002851 -0.00110368 0.00008218
-0.00277883 -0.00072824 0.01543875
-9.87254553 2.72129183 -8.62060657
0.00031254 0.00066571 0.00020649
-0.04038147 -0.01389500 -0.01333259
-11.77230238 2.64837137 -10.99683422
0.00014793 0.00039970 0.00011111
0.00107486 -0.00030325 0.00557999
-36.68562836 3.34924693 2.87151545
0.00032721 0.00021801 -0.00094958
0.01740301 -0.03839978 -0.00500595
-37.85293675 0.72616122 3.48211929
-0.00147135 0.00027137 -0.00087863
-0.00256762 -0.00319155 0.00068747
-8.93261859 -3.86616286 1.73397478
0.00016443 0.00018146 0.00109618
0.01076708 -0.00349841 0.00293110
-6.56279071 -5.08000479 2.89384907
-0.00051786 -0.00031206 0.00000876
0.00131252 -0.00106057 -0.00097369
3.00386022 -0.09544657 7.54012463
0.00051074 -0.00015418 0.00035882
0.03007807 -0.00270550 -0.05174561
1.38218704 1.60916829 9.20678226
-0.00095987 -0.00038360 0.00001656
0.00596002 -0.02192025 -0.00002497
-30.10760238 0.08676166 2.99340582
-0.00035356 -0.00033770 0.00017868
-0.00370265 0.01747567 -0.01125659
-32.82857640 0.95837769 2.81132748
0.00075290 0.00069440 -0.00009936
0.00964544 0.01670149 -0.00444878
15.84325637 11.69917393 -18.51340667
-0.00034151 -0.00052141 -0.00004381
-0.04425734 -0.06135033 -0.00246250
18.38725096 12.58771733 -17.66182914
0.00063480 -0.00010049 0.00006932
-0.01499183 0.00114256 -0.00257620
-2.87635160 6.61864994 6.17990559
-0.00009441 -0.00034993 0.00007277
-0.00022048 0.00053261 -0.00296123
-2.61549005 4.96371373 3.73145802
0.00035756 -0.00053890 0.00013973
-0.01781562 0.00328959 0.03666761
6.54428288 16.44894531 -8.56184477
0.00133317 -0.00008130 -0.00005361
0.00390211 -0.00537662 -0.02425504
6.91656642 17.93729154 -6.16852184
-0.00136365 -0.00131669 0.00043547
-0.00634951 -0.00151937 -0.00050781
7.65005758 5.59132875 -22.66428779
-0.00115780 0.00057538 0.00058173
0.00084912 0.00594482 0.01491795
8.49091137 7.15870656 -20.29162224
-0.00063888 0.00045858 0.00189714
-0.00259668 -0.00739195 0.00000056
18.93870286 21.15089929 -4.26853427
-0.00106404 0.00065853 0.00118472
-0.00270379 -0.01378704 -0.00334558
19.56209845 19.68014282 -6.73387767
0.00053862 -0.00046707 -0.00014986
0.01974850 0.00384743 -0.02118693
1.36630099 12.45512071 -21.28523190
0.00075464 0.00046525 -0.00095406
0.01424641 -0.00768467 0.00850263
0.55885151 14.89149376 -22.26790128
-0.00036740 0.00038505 0.00058114
0.01147420 0.00680020 0.01524881
9.82247884 -6.94694977 0.41111208
-0.00009475 -0.00011979 0.00072587
0.00347065 -0.00680265 -0.00507782
9.21000315 -4.09805880 -0.18889727
-0.00074927 0.00062056 0.00061015
0.02884978 -0.01770618 0.00588483
-18.22291418 -5.69800456 6.57555158
0.00047149 -0.00008899 -0.00025884
0.00377297 -0.00006585 0.00761262
-18.75653105 -4.89562998 3.91156082
0.00054497 0.00065228 0.00003319
0.01475209 0.00370515 0.00949956
-14.55067737 -0.26839101 19.27558665
-0.00045983 -0.00019473 -0.00113174
-0.00339523 0.01489031 -0.02609892
-14.65862475 -0.19870773 22.15810588
-0.00034504 -0.00013012 0.00003651
0.00427706 -0.00111916 -0.00047465
0.97754682 2.53181525 -2.86379232
-0.00035341 -0.00092357 -0.00065233
-0.00314404 -0.00783528 0.00059462
1.77723381 2.85192365 -5.70967635
-0.00069835 0.00037384 -0.00014440
-0.00333162 -0.00426982 0.02246306
21.23386742 -10.23791017 -6.31107053
-0.00023333 0.00052208 0.00023222
-0.00697375 -0.01273446 0.03488839
22.97302251 -9.96686554 -3.94400214
0.00113224 0.00037958 -0.00106425
-0.04763114 -0.01379427 -0.00721049
4.59988122 -10.40212229 6.74120806
-0.00005150 -0.00018717 -0.00025601
0.05652922 0.00354404 -0.02784200
3.39615745 -11.41656222 9.17740317
0.00014810 0.00066567 0.00020095
0.00500089 -0.00289066 0.00418901
-1.96998437 -3.46998012 -20.62526540
0.00008823 -0.00080021 -0.00011383
-0.00498678 -0.00878230 -0.01112302
-2.80532519 -2.06097857 -18.28803531
0.00119680 0.00027698 -0.00017944
-0.01061852 0.00274299 0.01338948
0.88612306 4.65649350 -10.61370275
-0.00019982 -0.00040150 -0.00023052
0.00463932 0.00976439 -0.00518250
-0.83150578 3.33184680 -8.81091074
0.00129540 0.00098807 -0.00156431
-0.01000498 0.00202622 -0.01487566
-4.27197514 15.83162030 15.65278929
-0.00086799 -0.00007185 -0.00029150
0.01700958 0.01760631 0.02387765
-6.68331731 15.14784234 14.50535741
0.00015353 -0.00028971 -0.00093311
-0.01537940 -0.00382643 -0.00120812
-6.45167620 2.05582748 -5.89171745
0.00053155 -0.00041370 0.00032156
-0.00834392 -0.00850453 0.00396902
-5.26338215 1.76436980 -8.56070111
-0.00144928 0.00107568 -0.00003734
-0.00402689 -0.00172652 -0.00559159
-10.03656739 -0.60188187 -3.61944491
-0.00010359 0.00073013 0.00046389
0.00682720 0.00132296 -0.00647374
-9.85654252 2.20463784 -2.74215200
-0.00013441 0.00015689 -0.00015663
0.02450957 -0.01524094 -0.03499935
3.54367267 29.01465376 4.94924915
0.00011048 -0.00041666 0.00003954
-0.01464249 -0.02504756 -0.00207538
3.03656146 28.01681041 7.51072157
-0.00047648 0.00047442 -0.00123887
-0.00323987 -0.00340597 0.02001604
7.84423944 -11.20678247 -1.55699985
-0.00003068 -0.00028168 -0.00086917
0.04096849 0.01015911 0.00394331
10.51980316 -11.80744595 -0.09875202
-0.00120901 -0.00097980 -0.00064081
-0.01118973 0.00554547 -0.00448827
-5.33021620 0.05018951 8.83057966
0.00087499 -0.00003534 0.00021584
0.00696249 -0.02013783 -0.00554971
-8.33730661 0.19867568 9.14917006
-0.00022939 0.00030366 0.00040956
-0.01998379 -0.02704854 -0.00280680
19.83103198 10.59627284 8.72620370
-0.00136066 -0.00074623 0.00045247
0.01097438 0.00089638 -0.01482832
21.95953566 10.76880242 6.65662431
0.00146821 0.00027994 -0.00022938
0.02750624 0.00492247 0.00709723
-3.03439949 -0.11884057 -22.41493379
-0.00016256 0.00104445 -0.00020438
0.00397381 0.02126509 -0.02378513
-4.95263677 1.64266617 -23.99300590
0.00031817 0.00023833 0.00005727
0.06198640 -0.02066187 -0.00278763
-12.32388616 9.83294820 9.55612566
0.00044655 -0.00013204 0.00017602
0.00735616 0.01290675 0.00251974
-13.79408512 9.21721743 7.07138581
-0.00074948 -0.00037314 0.00066729
0.00393390 0.00341159 0.01585368
-14.92165663 4.86726316 -4.49569814
-0.00004069 -0.00048002 -0.00054595
0.01786139 0.00007091 0.00408240
-13.60730856 7.51629802 -4.59315124
-0.00003233 -0.00046611 -0.00042871
-0.00293580 -0.02523298 0.02215265
-4.33130378 -15.98989654 20.64430344
-0.00053787 -0.00079205 0.00081777
-0.02581607 -0.00766354 0.00449501
-1.95791224 -16.66929391 19.28205500
-0.00007621 0.00036664 -0.00045428
0.00130170 0.01093134 0.00798490
-5.75257992 6.17619391 -7.46262929
-0.00055015 0.00051561 -0.00034034
0.01000749 0.00456179 -0.00874445
-7.27759648 8.37112686 -6.73195334
0.00034045 0.00073998 0.00000213
-0.00660401 0.01647020 -0.00137283
-20.75470374 28.85274039 1.06213387
0.00022969 -0.00069227 -0.00015155
0.01780234 0.01965463 -0.01000920
-18.01316399 29.55137522 0.16996218
0.00020727 -0.00044085 -0.00011509
-0.00016257 -0.00548201 0.00562950
9.07439761 2.85424919 6.65095594
-0.00027748 0.00092879 0.00053804
-0.02079553 -0.01294438 -0.02818999
9.33809109 5.57727447 8.08778310
0.00075439 -0.00106164 0.00077078
0.00092164 -0.01633890 -0.00341086
7.78871752 17.80193622 -12.36567976
0.00037859 -0.00030729 0.00010218
-0.00144054 -0.01377536 0.00849918
8.36736942 15.03767922 -12.30678603
-0.00010126 0.00030392 0.00020018
0.01411915 -0.01763835 -0.00454049
12.21645006 6.11186281 -1.17880972
0.00078418 -0.00044003 0.00022613
0.02664308 -0.03054991 0.00174616
13.45510912 3.76712308 0.28158423
-0.00077294 0.00018515 0.00048532
-0.00216486 -0.00573247 0.02088857
-4.66542627 10.48595212 -2.00811444
0.00058023 -0.00003350 -0.00104578
0.01931014 -0.00741963 -0.00439081
-6.99152910 10.89251878 -0.33837046
-0.00071959 0.00062963 0.00102174
0.00925169 0.01105739 -0.01359798
7.63425168 14.31534348 5.17877750
0.00053536 0.00110867 0.00035776
-0.00005836 0.02073424 -0.00111063
9.30892468 11.95237413 4.50266867
0.00061334 -0.00029367 0.00016960
-0.03097303 0.00921043 0.01129297
19.97766657 -13.09222049 -8.77452488
-0.00058753 0.00014893 0.00000455
0.01801074 0.02614347 -0.00810029
22.73499093 -12.78031250 -9.74334694
-0.00055624 -0.00115564 -0.00132713
0.00925931 -0.00458663 -0.00133847
19.50643737 -4.90574951 -2.40737761
-0.00062828 0.00049599 -0.00002833
-0.00578673 -0.00133826 -0.00392521
18.39939991 -7.16845208 -0.72097819
0.00043768 -0.00099601 0.00118996
0.01440434 0.01647424 -0.00617451
13.85128379 9.30334688 9.33651595
-0.00014827 -0.00075826 0.00021089
0.00882955 -0.00683898 -0.00097450
15.67957643 7.55512351 10.69609738
0.00105299 -0.00012182 0.00013017
0.00723215 -0.00299444 0.02995061
3.13249857 -15.24436629 17.27923647
0.00054900 0.00021904 -0.00091497
-0.00465820 0.01946718 0.00200814
3.25996701 -12.16726544 17.02982530
0.00050204 0.00034774 -0.00067808
-0.00112370 -0.00884678 0.00686835
-2.75874323 -3.75317846 -12.59805982
-0.00002402 0.00022637 -0.00055214
0.00242672 -0.01040371 0.00350043
-0.83495149 -2.04043458 -14.09660216
0.00037226 -0.00028634 -0.00045049
-0.00894367 -0.00059707 0.01537247
15.71135734 -7.63535674 -15.02264002
-0.00013470 -0.00078457 -0.00041229
-0.00079135 -0.00126807 0.01453082
17.06483069 -8.10489616 -12.41573849
0.00039407 0.00047107 -0.00040275
-0.02886106 0.01093077 -0.00857801
8.37873818 -3.15298779 5.54221334
0.00068202 0.00022276 -0.00127781
0.03337074 -0.02084610 0.01036460
11.07354953 -4.57529786 5.34217277
0.00108865 0.00006381 -0.00053591
0.00482588 0.00185539 -0.01657100
-20.65948100 -0.00191757 24.95147974
-0.00009891 -0.00137343 -0.00084861
0.00012114 0.01697333 0.00267003
-19.74064521 2.70838324 26.08927236
-0.00046882 -0.00038792 -0.00038777
-0.00590082 -0.00346278 0.00335880
25.07154143 -2.55000857 -7.47409299
0.00032265 -0.00042887 0.00075505
-0.00691978 0.01180901 0.00472547
23.77312729 -0.57075141 -9.13643358
0.00045818 0.00116638 -0.00039297
0.00264791 -0.00283758 0.00285724
12.31192864 -10.83983250 -9.70282297
0.00086679 -0.00016817 -0.00078724
-0.00642399 0.01946924 -0.01600374
12.87077397 -9.05389288 -12.07870299
-0.00002551 0.00057446 0.00078572
0.01626907 0.00860367 -0.00133706
-7.41172672 -10.72090255 17.28365676
0.00000048 0.00034511 -0.00059681
-0.03114838 0.00779827 -0.02115051
-10.13082056 -9.91878737 17.50583982
-0.00076331 0.00075418 -0.00055178
-0.01112395 -0.00318272 0.00130582
8.30314824 1.24980521 -29.37029835
0.00028255 0.00066748 0.00066674
0.00220526 0.00993458 0.00068322
5.50498435 0.94284610 -28.43472618
-0.00026430 0.00005931 -0.00029627
-0.01520407 -0.00826561 -0.00764543
13.91992774 19.36412343 13.71302116
-0.00085328 0.00005684 0.00005288
-0.03107239 -0.01381871 -0.01467891
13.71383687 17.66912002 11.40758362
0.00008293 -0.00007718 0.00045566
-0.02130173 0.00675482 0.01349342
27.77502637 7.82509901 -11.67643476
0.00031513 0.00006353 -0.00080926
0.01442307 0.00095058 -0.00328696
26.24289198 7.71537178 -9.13510268
0.00014461 0.00023462 0.00013522
-0.00074187 0.00155491 -0.01761378
-7.79198065 4.72850164 6.21226630
0.00007300 -0.00001029 0.00013864
-0.00355312 -0.00317073 0.00071860
-10.17081168 9.07645720 3.16384365
0.00033328 -0.00011767 0.00027362
0.00395489 -0.00092369 0.00232932
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.07621984
0.31151880
415.08318485
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0600290698
ExchangeOperator: pair fraction: ispin=0: 0.1500703083
ExchangeOperator: bisection time: 1.345 s
total exchange = -52.3065610476 (a.u.)
total exchange computation time: 2.8813428879 s
-153.8554383448
-931.38836096
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0600290698
ExchangeOperator: pair fraction: ispin=0: 0.1500703083
ExchangeOperator: bisection time: 1.345 s
total exchange = -52.3066964753 (a.u.)
total exchange computation time: 2.8811540604 s
-153.8544804360
Anderson extrapolation: theta=1.3607664463 (1.3607664463)
-931.38860840
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0600290698
ExchangeOperator: pair fraction: ispin=0: 0.1500703083
ExchangeOperator: bisection time: 1.346 s
total exchange = -52.3068125471 (a.u.)
total exchange computation time: 2.8820548058 s
-153.8535919631
Anderson extrapolation: theta=0.0548991973 (0.0548991973)
-931.38875829
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0600290698
ExchangeOperator: pair fraction: ispin=0: 0.1500703083
ExchangeOperator: bisection time: 1.346 s
total exchange = -52.3067586178 (a.u.)
total exchange computation time: 2.8866651058 s
-153.8539691513
Anderson extrapolation: theta=2.0232816838 (2.0000000000)
-931.38876435
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0600290698
ExchangeOperator: pair fraction: ispin=0: 0.1500703083
ExchangeOperator: bisection time: 1.346 s
total exchange = -52.3066244692 (a.u.)
total exchange computation time: 2.8842940331 s
-153.8548563592
Anderson extrapolation: theta=0.2384048590 (0.2384048590)
-931.38877107
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0600290698
ExchangeOperator: pair fraction: ispin=0: 0.1500703083
ExchangeOperator: bisection time: 1.347 s
total exchange = -52.3065813277 (a.u.)
total exchange computation time: 2.8824391365 s
-153.8550926193
Anderson extrapolation: theta=1.7751921357 (1.7751921357)
-931.38877243
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0600290698
ExchangeOperator: pair fraction: ispin=0: 0.1500703083
ExchangeOperator: bisection time: 1.347 s
total exchange = -52.3065158929 (a.u.)
total exchange computation time: 2.8832859993 s
-153.8553832769
Anderson extrapolation: theta=0.2954021952 (0.2954021952)
-931.38877404
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0600290698
ExchangeOperator: pair fraction: ispin=0: 0.1500703083
ExchangeOperator: bisection time: 1.346 s
total exchange = -52.3065092946 (a.u.)
total exchange computation time: 2.8824980259 s
-153.8553411660
Anderson extrapolation: theta=1.2558600339 (1.2558600339)
-931.38877445
21.238755 27.455307 -165.859378
559.531525 1074.995725 -408.209378
580.770280 1102.451032 -574.068757
1371.950193
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0600290698
ExchangeOperator: pair fraction: ispin=0: 0.1500703083
ExchangeOperator: bisection time: 1.345 s
total exchange = -52.3065112012 (a.u.)
total exchange computation time: 2.8812150955 s
677.78106473
-1081.80057002
89.92260043
-390.36840211
-174.61695659
77.16082548
551.60419304
0.00000000
-931.38877476
4.53960437 -31.09495190 -3.48940301
-0.00005892 -0.00023355 -0.00001416
0.00222152 -0.00389575 -0.01483196
-11.59804509 2.15576104 -9.21239976
0.00021450 0.00005589 0.00014626
0.03850888 0.01447120 0.00132181
-36.17162191 1.41792393 3.25863825
0.00010422 0.00004370 0.00033760
-0.03001951 0.03645445 0.00095327
-7.35186486 -3.45217469 2.65502379
0.00007788 0.00001822 0.00002274
-0.01115115 -0.00036324 0.00101556
2.25244912 -0.05324696 9.09662949
-0.00000235 -0.00023756 0.00010196
-0.03669886 0.02224347 0.04893982
-31.09417303 1.64076542 2.54232889
-0.00012841 0.00021962 0.00001597
0.00294973 -0.03676949 0.02469643
16.76887822 13.13480738 -18.45259337
-0.00019528 0.00012854 -0.00040605
0.05596531 0.05746194 0.01739102
-3.46218346 5.04245844 5.43691032
0.00003130 -0.00005947 -0.00024653
0.01837052 -0.00260717 -0.03654711
5.61692154 17.04061716 -7.10684136
-0.00015635 0.00011139 0.00000645
-0.00585406 0.00601783 0.02235013
7.29095707 5.84136166 -20.80680759
0.00029194 0.00026439 -0.00008776
0.00774585 0.00579077 -0.00881623
18.64579238 19.53592488 -5.23111497
0.00009490 -0.00020312 -0.00026471
-0.01377092 0.00802528 0.03050790
1.98904178 14.18265599 -21.25361267
-0.00006210 0.00030070 -0.00010770
-0.02775294 0.00778661 -0.01896016
10.59719962 -5.29850130 0.42168955
0.00017468 -0.00005566 0.00001940
-0.03532248 0.02642209 -0.00784824
-17.63768784 -4.48287407 5.35271447
0.00044883 -0.00059888 -0.00001170
-0.01689412 -0.00206297 -0.01880442
-14.32183867 -1.29480357 20.73015664
-0.00007467 0.00010466 0.00024253
-0.00027761 -0.01236937 0.01743585
1.61278687 3.71683716 -4.08190671
0.00007014 0.00002807 -0.00020730
0.00569595 0.00710479 -0.01759361
21.17222091 -10.57282836 -4.41107009
-0.00021038 0.00011029 0.00015488
0.05937504 0.03367204 -0.02164184
3.11051095 -10.57993820 7.59280914
0.00001867 -0.00022363 -0.00033802
-0.06390176 -0.00046627 0.02139931
-2.02587657 -1.79646394 -19.88488941
-0.00017714 -0.00004693 -0.00023733
0.02039660 0.00279294 -0.00593057
-0.73646444 3.82264126 -10.59977440
-0.00037104 0.00021492 -0.00001912
0.00864839 -0.00218015 0.00914563
-4.92005381 14.80824211 14.36901544
0.00010437 0.00030656 -0.00013764
-0.00143932 -0.01701649 -0.02971901
-5.24528851 2.78483856 -7.05689179
0.00021920 0.00001773 0.00023909
0.00628499 0.01114344 0.00036452
-9.16506987 0.94740581 -4.07604237
0.00017843 0.00002763 -0.00016137
-0.02176878 0.00775216 0.02913695
2.84351580 27.48145183 5.80522674
0.00001930 0.00013907 0.00014140
0.01482576 0.02959177 -0.02469959
9.71303447 -10.81243625 -1.45797367
-0.00036133 0.00009981 0.00000302
-0.03388196 -0.00405116 -0.00600363
-6.78380980 1.02412178 9.25367257
-0.00009394 0.00004926 -0.00006344
0.01789604 0.04483017 0.00876920
20.18320803 10.72344532 6.90398158
-0.00020533 -0.00020423 -0.00003736
-0.02215281 -0.00693380 0.00981739
-3.05501209 1.01081856 -23.99990756
-0.00004956 -0.00016232 -0.00009959
-0.06696439 0.00314637 0.02425310
-13.48055970 8.62457533 8.79726742
0.00010151 -0.00033626 0.00010588
-0.02040323 -0.01898034 -0.01324740
-13.68607109 5.92049859 -3.57735615
-0.00017396 -0.00011850 -0.00027065
-0.01326851 0.02136953 -0.02353984
-2.63198892 -15.49612394 20.54443369
-0.00042284 -0.00010543 0.00004602
0.01608871 -0.00274811 -0.00729560
-5.89405966 8.00265256 -7.85259547
0.00018550 0.00015897 0.00015801
0.00207340 -0.02762335 0.00346921
-19.53495410 30.25920241 0.86115390
0.00011550 0.00001656 -0.00003841
-0.02579869 -0.01085253 0.00782518
9.89223182 3.77751929 7.91036298
0.00010139 -0.00003306 -0.00008956
0.03203436 0.02381701 0.03971431
7.26693997 16.22162788 -11.54626398
-0.00001592 0.00020643 0.00001167
-0.01093924 0.02412964 -0.00528206
13.47325962 4.68674280 -1.27898502
-0.00019013 -0.00029500 -0.00010702
-0.01586195 0.04268376 -0.01460097
-5.94103893 11.71079892 -1.64377957
0.00029967 0.00011166 0.00056147
-0.01903864 -0.00697969 0.01408169
7.63132039 12.52419472 5.26885327
-0.00028146 -0.00013588 -0.00000251
0.03908117 -0.01635971 -0.01787487
21.24718713 -11.80512724 -9.37819796
-0.00068245 0.00030425 0.00017209
-0.02598743 -0.02469631 -0.00226682
19.65035100 -5.75461594 -0.78030117
-0.00020173 0.00020007 0.00035166
-0.00862850 -0.02089872 0.00392113
15.16139599 8.02000419 9.06619522
0.00043507 0.00002479 0.00042401
-0.01392889 0.01002234 -0.02786781
3.79988136 -13.78093850 16.36098716
-0.00012611 -0.00018928 0.00001272
0.01187905 -0.01350691 -0.01908303
-2.58721080 -2.21016036 -13.50519902
-0.00009121 0.00015758 0.00020410
0.00772705 0.01415246 -0.02004209
15.46551723 -7.43021154 -13.17185217
-0.00009960 -0.00001383 0.00001324
0.03132505 -0.00783479 -0.01186533
9.88001861 -3.86458088 6.47316232
0.00009428 -0.00011363 -0.00016586
-0.03255496 0.01721709 -0.00071055
-19.45523870 1.39624309 24.83813403
-0.00005572 -0.00001006 0.00003342
0.00084353 -0.02539038 -0.01154414
23.99416291 -1.00525133 -7.36462144
-0.00030606 0.00020607 -0.00005515
0.01278444 -0.01271802 -0.01418168
11.67085648 -10.22160998 -11.37320876
0.00008549 0.00033577 0.00001934
-0.00811017 -0.02665214 0.02665863
-9.03890197 -10.60908656 16.21992848
-0.00026286 0.00019615 -0.00028467
0.03228932 -0.00174770 0.02214637
7.12729226 1.54760455 -27.95904562
0.00026204 -0.00017370 -0.00012925
-0.00217953 -0.00294014 0.01094706
12.58861534 18.44213688 12.70001067
0.00014295 -0.00034060 -0.00030024
0.04958376 0.00720846 0.00381325
26.09510597 7.54404826 -11.03362565
0.00014028 -0.00003283 0.00020639
-0.00827773 -0.00113898 0.02565087
4.95358909 -29.79525852 -4.73326638
-0.00036838 0.00023330 0.00031671
0.00092449 -0.00112334 -0.00474266
3.84523199 -30.18682367 -2.08631189
0.00001456 -0.00110305 0.00015038
-0.00404737 0.00103539 0.01794369
-9.86909489 2.73085174 -8.61791778
0.00014556 0.00060787 0.00015157
-0.04135724 -0.01441863 -0.01355020
-11.77005055 2.65435760 -10.99499656
0.00015231 0.00039756 0.00013562
0.00106862 -0.00074488 0.00641477
-36.68018697 3.35134033 2.85711834
0.00039842 0.00005958 -0.00096788
0.01745638 -0.03915176 -0.00395093
-37.87508570 0.73013391 3.46896085
-0.00146547 0.00026539 -0.00087744
0.00544540 0.00026445 -0.00010499
-8.92982219 -3.86354813 1.75050725
0.00020121 0.00016621 0.00110315
0.00723576 -0.00396861 0.00048308
-6.57051836 -5.08471825 2.89395066
-0.00051163 -0.00031571 0.00000515
0.00173723 -0.00072350 -0.00079632
3.01244293 -0.09784218 7.54392131
0.00063294 -0.00016421 0.00014968
0.02974109 -0.00220233 -0.05063065
1.36797158 1.60274253 9.20702990
-0.00093306 -0.00047593 0.00001543
0.00716668 -0.02327363 -0.00052682
-30.11301919 0.08223160 2.99574102
-0.00036965 -0.00026273 0.00013164
-0.00417557 0.01922279 -0.01176981
-32.81698738 0.96930548 2.80970074
0.00077968 0.00075818 -0.00011586
0.00346687 0.01451873 -0.00362585
15.83677756 11.68947280 -18.51413925
-0.00051249 -0.00075812 -0.00005261
-0.03943859 -0.05452014 -0.00184488
18.39631349 12.58624505 -17.66086826
0.00056349 -0.00009316 0.00005431
-0.01991273 0.00244567 -0.00477043
-2.87777448 6.61341729 6.18090643
-0.00009410 -0.00034547 0.00006093
0.00037066 0.00165126 -0.00283772
-2.61067254 4.95573096 3.73467760
0.00028592 -0.00052462 0.00028713
-0.01725368 0.00370191 0.03548353
6.56440007 16.44756110 -8.56339218
0.00134139 -0.00009895 -0.00014323
0.00011960 -0.00326642 -0.01961447
6.89591716 17.91749460 -6.16200531
-0.00137498 -0.00131190 0.00044497
0.00080239 0.00386568 0.00515870
7.63271667 5.60014160 -22.65510465
-0.00114903 0.00060004 0.00063337
0.00344041 0.00612715 0.01035952
8.48124858 7.16535868 -20.26316509
-0.00064921 0.00042701 0.00189269
-0.00246076 -0.00805907 -0.00217972
18.92265935 21.16035472 -4.25086601
-0.00107468 0.00059114 0.00116203
-0.00250211 -0.01919940 -0.00776069
19.57078284 19.67325461 -6.73677480
0.00061827 -0.00044952 -0.00023257
0.01924011 0.00474319 -0.01929950
1.37805713 12.46186396 -21.29928225
0.00081050 0.00042784 -0.00091925
0.01309887 -0.01062626 0.00853765
0.55369213 14.89747787 -22.25871698
-0.00032151 0.00041342 0.00064202
0.01098840 0.00709000 0.01455243
9.82116395 -6.94895505 0.42184451
-0.00007985 -0.00014471 0.00070502
0.00382085 -0.00539667 -0.00512788
9.19964819 -4.08929301 -0.17956475
-0.00062533 0.00054281 0.00063571
0.03181576 -0.02035420 0.00663003
-18.21572625 -5.69934143 6.57190230
0.00048383 -0.00009481 -0.00022320
0.00226667 -0.00278545 0.00983228
-18.74790439 -4.88573223 3.91234977
0.00060209 0.00066506 0.00006893
0.01320495 0.00255165 0.00799616
-14.55767882 -0.27085561 19.25781078
-0.00047163 -0.00014269 -0.00122344
-0.00238329 0.01058092 -0.01878648
-14.66366929 -0.20069382 22.15863898
-0.00032820 -0.00013143 0.00003624
0.00396532 0.00047747 0.00034197
0.97214930 2.51772156 -2.87355905
-0.00036364 -0.00094946 -0.00065447
-0.00186136 -0.00483576 -0.00164128
1.76665651 2.85740045 -5.71115407
-0.00071105 0.00035482 -0.00005742
-0.00288669 -0.00504151 0.02011587
21.23015381 -10.23046923 -6.30651810
-0.00026332 0.00046940 0.00037348
-0.00770538 -0.01305164 0.03425934
22.98854661 -9.96159452 -3.96018681
0.00092958 0.00032050 -0.00109278
-0.05157246 -0.01512469 -0.00675759
4.60084090 -10.40482122 6.73651468
0.00017952 -0.00017234 -0.00036993
0.05655838 0.00371452 -0.02792233
3.39853225 -11.40666575 9.18054578
0.00016815 0.00065451 0.00021671
0.00481032 -0.00257196 0.00352583
-1.96881380 -3.48225241 -20.62731367
0.00006675 -0.00082754 -0.00015611
-0.00552492 -0.00459590 -0.00957291
-2.78769859 -2.05673979 -18.29031662
0.00114922 0.00028662 -0.00011578
-0.01266927 0.00197440 0.01777490
0.88326796 4.65077024 -10.61731935
-0.00017887 -0.00035971 -0.00025493
0.00561609 0.01069107 -0.00676826
-0.81238142 3.34672997 -8.83483120
0.00124971 0.00098748 -0.00159868
-0.01235638 -0.00231594 -0.00195069
-4.28447372 15.83108202 15.64914844
-0.00079424 0.00000759 -0.00018464
0.01909175 0.02128326 0.02843456
-6.68148559 15.14337942 14.49132370
0.00008779 -0.00030478 -0.00093790
-0.01680120 -0.00355234 -0.00113597
-6.44395858 2.04936131 -5.88677245
0.00049782 -0.00044731 0.00033757
-0.00816630 -0.00794553 0.00386924
-5.28524472 1.78045203 -8.56143253
-0.00146475 0.00106544 -0.00006517
-0.00354875 -0.00328333 -0.00803319
-10.03791198 -0.59088938 -3.61268488
-0.00007753 0.00073010 0.00043777
0.00592864 -0.00133581 -0.00631647
-9.85780766 2.20652414 -2.74557395
-0.00003305 0.00009515 -0.00030039
0.02510710 -0.01498243 -0.03537161
3.54488123 29.00763639 4.94977868
0.00005233 -0.00051504 0.00002786
-0.01382477 -0.02311427 -0.00364161
3.02931502 28.02382238 7.49275184
-0.00048819 0.00046616 -0.00113582
-0.00249254 -0.00063710 0.03043078
7.84503469 -11.21069642 -1.56991658
0.00013330 -0.00024018 -0.00085326
0.03929904 0.01015699 0.00384541
10.50132505 -11.82197301 -0.10850167
-0.00125203 -0.00095805 -0.00065717
-0.00986565 0.00510233 -0.00352022
-5.31687806 0.04904240 8.83364716
0.00089208 -0.00011154 0.00019631
0.00140617 -0.01716246 -0.00400821
-8.34135979 0.20240172 9.15522751
-0.00030995 0.00019239 0.00039808
-0.01944994 -0.02741758 -0.00281624
19.81095837 10.58510688 8.73253640
-0.00131180 -0.00074139 0.00038275
0.01294162 0.00147277 -0.01930287
21.98240161 10.77315230 6.65340111
0.00155225 0.00029924 -0.00019422
0.01363465 0.00452658 0.01011413
-3.03671613 -0.10252220 -22.41872839
-0.00014549 0.00112512 -0.00029547
0.00438192 0.01822290 -0.02080136
-4.94596475 1.64560801 -23.99223227
0.00056837 0.00015499 0.00004535
0.06048752 -0.02013601 -0.00304503
-12.31696246 9.83136309 9.55884314
0.00047234 -0.00008247 0.00018332
0.00526754 0.01135889 0.00105558
-13.80520676 9.21172494 7.08188100
-0.00073361 -0.00035696 0.00072641
0.00383273 0.00450748 0.01308623
-14.92171961 4.86006499 -4.50376233
0.00003422 -0.00047792 -0.00052749
0.01880773 0.00095733 0.00495695
-13.60788353 7.50853313 -4.59890303
-0.00004421 -0.00056652 -0.00033998
-0.00287542 -0.02391537 0.02127878
-4.34016286 -16.00201208 20.65670767
-0.00063579 -0.00082178 0.00083510
-0.02211597 -0.00689064 0.00399110
-1.95901546 -16.66345931 19.27548552
-0.00007265 0.00041240 -0.00042007
0.00043855 0.01146596 0.00876195
-5.76052551 6.18406779 -7.46800238
-0.00050852 0.00052792 -0.00037378
0.01037171 0.00146384 -0.00762141
-7.27269213 8.38273131 -6.73196348
0.00031260 0.00080714 -0.00000267
-0.00702634 0.01640111 -0.00097671
-20.75071286 28.84295863 1.05955395
0.00030472 -0.00060737 -0.00019254
0.01892417 0.02190613 -0.01005754
-18.01005999 29.54459448 0.16840838
0.00020311 -0.00046046 -0.00009054
-0.00187396 -0.00411788 0.00638738
9.06959821 2.86778432 6.65816271
-0.00036942 0.00086842 0.00041290
-0.02421247 -0.01660394 -0.03306829
9.34943516 5.56084913 8.09924033
0.00075376 -0.00111596 0.00075717
-0.00122876 -0.01025123 -0.00325400
7.79435220 17.79690475 -12.36388667
0.00037361 -0.00035771 0.00013466
-0.00099786 -0.01090796 0.00740323
8.36628318 15.04169758 -12.30392239
-0.00004196 0.00022908 0.00018074
0.01490792 -0.01899803 -0.00497990
12.22902915 6.10432619 -1.17536420
0.00088600 -0.00055688 0.00023224
0.02319935 -0.02664633 0.00124181
13.44344862 3.76972473 0.28950412
-0.00078038 0.00016299 0.00056573
-0.00147554 -0.00511915 0.01847033
-4.65613107 10.48522232 -2.02393568
0.00064948 -0.00005825 -0.00105884
0.01458655 -0.00469875 -0.00200049
-7.00203942 10.90230200 -0.32346099
-0.00067412 0.00067582 0.00095925
0.01300644 0.01155666 -0.01699431
7.64228035 14.33260888 5.18410992
0.00053508 0.00117197 0.00035446
-0.00008027 0.01025273 -0.00050797
9.31717571 11.94825133 4.50555872
0.00048073 -0.00025435 0.00021827
-0.03394272 0.01003563 0.01252997
19.96940558 -13.08918541 -8.77470484
-0.00051531 0.00025569 -0.00002768
0.01733937 0.02611425 -0.00767573
22.72693102 -12.79778770 -9.76329486
-0.00053408 -0.00116301 -0.00132882
0.00158990 0.00098235 0.00051196
19.49683583 -4.89835066 -2.40792277
-0.00065210 0.00048627 -0.00003856
-0.00587493 -0.00342122 -0.00108323
18.40640653 -7.18288747 -0.70331796
0.00049892 -0.00092380 0.00116274
0.01557470 0.01887576 -0.00715189
13.84933031 9.29176343 9.33964948
-0.00011311 -0.00078432 0.00020804
0.00838115 -0.00591755 -0.00042033
15.69559294 7.55320444 10.69896765
0.00108171 -0.00013317 0.00025230
0.00682671 -0.00255910 0.02983517
3.14059083 -15.24048413 17.26557351
0.00052394 0.00028852 -0.00089815
-0.00761024 0.01454195 0.00622236
3.26746324 -12.16232050 17.01986462
0.00049691 0.00030982 -0.00064897
-0.00138865 -0.00971252 0.00738065
-2.75902912 -3.75010178 -12.60623471
-0.00001545 0.00017714 -0.00053377
0.00176845 -0.01369397 0.00549180
-0.82964168 -2.04474792 -14.10288839
0.00032809 -0.00028888 -0.00038506
-0.01267726 -0.00064850 0.01665200
15.70931266 -7.64716421 -15.02837916
-0.00013915 -0.00078861 -0.00034766
-0.00138711 -0.00070857 0.01710752
17.06985731 -8.09749514 -12.42204262
0.00027570 0.00051549 -0.00043708
-0.02907908 0.01081126 -0.00822459
8.38999105 -3.15028518 5.52336373
0.00081888 0.00013753 -0.00123325
0.03362273 -0.02087422 0.01144944
11.09002717 -4.57428382 5.33362638
0.00109942 0.00007701 -0.00059383
0.00044651 0.00460356 -0.01178429
-20.66096095 -0.02199883 24.93883240
-0.00009049 -0.00129272 -0.00083737
0.00400231 0.02253491 0.00283012
-19.74785839 2.70245831 26.08355868
-0.00049499 -0.00039779 -0.00036864
-0.00690797 -0.00136694 0.00600747
25.07616909 -2.55607974 -7.46262246
0.00028836 -0.00037204 0.00077218
-0.00986559 0.01600779 0.00366131
23.78008117 -0.55334274 -9.14224054
0.00047073 0.00115073 -0.00037481
0.00349487 -0.00481862 0.00603230
12.32473367 -10.84175839 -9.71512202
0.00084026 -0.00009022 -0.00084837
-0.00656241 0.01868632 -0.01392015
12.87088985 -9.04501227 -12.06695818
0.00004251 0.00061135 0.00077747
0.01702511 0.00945219 -0.00270023
-7.41267401 -10.71548695 17.27405651
-0.00012803 0.00037755 -0.00068189
-0.03175837 0.00808057 -0.02049841
-10.14261104 -9.90757224 17.49760308
-0.00080395 0.00073879 -0.00054944
-0.00877013 -0.00434832 -0.00016040
8.30745414 1.26012183 -29.36027625
0.00029660 0.00070544 0.00066152
0.00467113 0.00864560 -0.00324195
5.50055397 0.94348245 -28.43940456
-0.00031843 0.00002823 -0.00032627
-0.01129350 -0.00694777 -0.00703794
13.90617636 19.36455266 13.71336457
-0.00097664 0.00000194 -0.00000541
-0.02931275 -0.01305865 -0.01385444
13.71442812 17.66816933 11.41483204
0.00000145 -0.00005291 0.00050458
-0.01858486 0.00512648 0.01045049
27.78019525 7.82608114 -11.68867441
0.00036654 0.00006625 -0.00081840
0.01074566 0.00037741 -0.00118816
26.24503841 7.71893875 -9.13361407
0.00014280 0.00024108 0.00006374
-0.00014483 0.00160674 -0.01737697
-7.79089524 4.72833872 6.21434778
0.00007174 -0.00001143 0.00013889
-0.00345230 -0.00319000 0.00070785
-10.16580560 9.07469049 3.16795205
0.00033417 -0.00011788 0.00027416
0.00369370 -0.00089368 0.00227584
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.07620587
0.31256889
416.48237494
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0600290698
ExchangeOperator: pair fraction: ispin=0: 0.1500703083
ExchangeOperator: bisection time: 1.349 s
total exchange = -52.3030782082 (a.u.)
total exchange computation time: 2.8825299740 s
-153.8493640072
-931.38916870
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0600290698
ExchangeOperator: pair fraction: ispin=0: 0.1500703083
ExchangeOperator: bisection time: 1.347 s
total exchange = -52.3033069652 (a.u.)
total exchange computation time: 2.8835000992 s
-153.8478304408
Anderson extrapolation: theta=1.3482456886 (1.3482456886)
-931.38940469
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0600290698
ExchangeOperator: pair fraction: ispin=0: 0.1500703083
ExchangeOperator: bisection time: 1.346 s
total exchange = -52.3035617644 (a.u.)
total exchange computation time: 2.8872249126 s
-153.8461209833
Anderson extrapolation: theta=0.0500476970 (0.0500476970)
-931.38954551
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0600290698
ExchangeOperator: pair fraction: ispin=0: 0.1500703083
ExchangeOperator: bisection time: 1.347 s
total exchange = -52.3035258770 (a.u.)
total exchange computation time: 2.8817281723 s
-153.8464112932
Anderson extrapolation: theta=1.9129336298 (1.9129336298)
-931.38955059
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0600290698
ExchangeOperator: pair fraction: ispin=0: 0.1500703083
ExchangeOperator: bisection time: 1.347 s
total exchange = -52.3034351018 (a.u.)
total exchange computation time: 2.8821010590 s
-153.8470880261
Anderson extrapolation: theta=0.2168243545 (0.2168243545)
-931.38955589
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0600290698
ExchangeOperator: pair fraction: ispin=0: 0.1500703083
ExchangeOperator: bisection time: 1.346 s
total exchange = -52.3034054399 (a.u.)
total exchange computation time: 2.8845388889 s
-153.8472643563
Anderson extrapolation: theta=1.9337778886 (1.9337778886)
-931.38955692
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0600290698
ExchangeOperator: pair fraction: ispin=0: 0.1500703083
ExchangeOperator: bisection time: 1.345 s
total exchange = -52.3033575000 (a.u.)
total exchange computation time: 2.8816130161 s
-153.8474926438
Anderson extrapolation: theta=0.2880144640 (0.2880144640)
-931.38955828
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0600290698
ExchangeOperator: pair fraction: ispin=0: 0.1500703083
ExchangeOperator: bisection time: 1.345 s
total exchange = -52.3033541795 (a.u.)
total exchange computation time: 2.8820168972 s
-153.8474467882
Anderson extrapolation: theta=1.3197608010 (1.3197608010)
-931.38955863
21.320563 27.460619 -165.856041
559.492318 1075.007183 -408.280326
580.812882 1102.467802 -574.136367
1372.009995
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0600290698
ExchangeOperator: pair fraction: ispin=0: 0.1500703083
ExchangeOperator: bisection time: 1.344 s
total exchange = -52.3033578070 (a.u.)
total exchange computation time: 2.9206919670 s
677.73992034
-1081.70138172
89.92009929
-390.43537991
-174.60945909
77.10690100
551.60419304
0.00000000
-931.38955890
4.53872921 -31.09847024 -3.48967263
-0.00005753 -0.00023585 -0.00002240
0.00317626 -0.00501610 -0.01721243
-11.59467901 2.15665528 -9.21020076
0.00023435 0.00006348 0.00014673
0.03865450 0.01502749 0.00049818
-36.17017447 1.41872009 3.26370591
0.00008682 0.00006179 0.00033803
-0.03764244 0.03387209 0.00071067
-7.35073970 -3.45190284 2.65536882
0.00007300 0.00001810 0.00002383
-0.00781390 -0.00008363 0.00322261
2.25227234 -0.05672451 9.09834769
-0.00002104 -0.00022604 0.00012628
-0.03597763 0.02253638 0.04563094
-31.09608783 1.64391793 2.54266374
-0.00012509 0.00020096 0.00002857
0.00995120 -0.03581152 0.02427516
16.76616489 13.13695714 -18.45861709
-0.00016708 0.00015540 -0.00039666
0.05371573 0.04699392 0.01912512
-3.46164315 5.04155631 5.43307136
0.00004034 -0.00006115 -0.00026481
0.01678485 -0.00390066 -0.03451091
5.61455372 17.04231127 -7.10665838
-0.00016029 0.00011256 0.00001513
-0.00947159 -0.00148113 0.01140552
7.29536598 5.84534983 -20.80815803
0.00029537 0.00026742 -0.00009046
0.00560727 0.00599853 -0.00166533
18.64716275 19.53290904 -5.23496800
0.00008805 -0.00019798 -0.00024861
-0.01286129 0.01194746 0.03211354
1.98800330 14.18719658 -21.25530135
-0.00007587 0.00030526 -0.00011727
-0.02582652 0.00994561 -0.01823457
10.59968361 -5.29923427 0.42195029
0.00015581 -0.00004193 0.00001525
-0.03805645 0.02698301 -0.00827407
-17.63102053 -4.49186526 5.35246651
0.00044099 -0.00059895 -0.00002143
-0.01360991 0.00181229 -0.01904354
-14.32295984 -1.29328136 20.73386192
-0.00007497 0.00009903 0.00024931
-0.00086041 -0.00952497 0.00889320
1.61386100 3.71728556 -4.08508413
0.00007257 0.00003113 -0.00021503
0.00375603 0.00480968 -0.01246789
21.16929418 -10.57104412 -4.40883039
-0.00017895 0.00012788 0.00014395
0.06285327 0.03471774 -0.02085144
3.11054444 -10.58329450 7.58782133
-0.00001352 -0.00022395 -0.00032722
-0.06124077 -0.00074797 0.02062750
-2.02845500 -1.79715707 -19.88847227
-0.00016609 -0.00004634 -0.00024173
0.02258164 -0.00051872 -0.01116365
-0.74199667 3.82585671 -10.60002595
-0.00036621 0.00021477 -0.00001770
0.01014930 0.00157887 -0.00363395
-4.91849378 14.81277487 14.36683618
0.00010349 0.00029705 -0.00015379
-0.00199856 -0.01996603 -0.03309001
-5.24197621 2.78514756 -7.05330398
0.00022223 0.00002361 0.00023983
0.00549951 0.01171258 0.00248292
-9.16247732 0.94785014 -4.07835055
0.00016742 0.00003206 -0.00014651
-0.02105591 0.00947787 0.02867512
2.84386253 27.48365206 5.80725251
0.00002646 0.00015288 0.00012661
0.01301733 0.02409903 -0.03283780
9.70748383 -10.81095476 -1.45795160
-0.00037839 0.00009789 -0.00000025
-0.03245057 -0.00339996 -0.00670644
-6.78514993 1.02503357 9.25275482
-0.00008373 0.00007144 -0.00005933
0.02182982 0.04141670 0.00720432
20.18004266 10.72035514 6.90345905
-0.00021380 -0.00020776 -0.00003208
-0.01079264 -0.00678680 0.01073101
-3.05601382 1.00839584 -24.00130787
-0.00008351 -0.00016015 -0.00008806
-0.06503302 0.00529149 0.02057116
-13.47911570 8.61945823 8.79880456
0.00009169 -0.00034569 0.00010034
-0.01781130 -0.01769538 -0.00831010
-13.68873163 5.91880357 -3.58150668
-0.00018098 -0.00010817 -0.00028257
-0.01404274 0.01878662 -0.02283489
-2.63826943 -15.49771602 20.54509586
-0.00041552 -0.00010714 0.00004227
0.01237571 -0.00390334 -0.00730838
-5.89126915 8.00493055 -7.85021192
0.00018653 0.00014564 0.00015950
0.00191053 -0.02421795 0.00230428
-19.53332109 30.25940889 0.86060793
0.00010250 0.00001024 -0.00003461
-0.02475939 -0.01372442 0.00696321
9.89387621 3.77711525 7.90917285
0.00011908 -0.00002193 -0.00006840
0.03674544 0.01947508 0.04256472
7.26665892 16.22481739 -11.54610929
-0.00002173 0.00021817 0.00000933
-0.01162686 0.02152560 -0.00380586
13.47034645 4.68248242 -1.28064667
-0.00019738 -0.00027448 -0.00011363
-0.01232338 0.03713195 -0.01110908
-5.93661731 11.71244693 -1.63530314
0.00029032 0.00010726 0.00056874
-0.01733025 -0.01013484 0.01415999
7.62724929 12.52209341 5.26874665
-0.00026074 -0.00014184 -0.00001203
0.04149267 -0.00682228 -0.01913173
21.23685012 -11.80065873 -9.37562540
-0.00069362 0.00029029 0.00017021
-0.01745569 -0.02959230 -0.00501217
19.64729172 -5.75169544 -0.77501112
-0.00020637 0.00018932 0.00035318
-0.00941755 -0.02090373 0.00196569
15.16786825 8.02041466 9.07244792
0.00042827 0.00002948 0.00040979
-0.01251715 0.00823098 -0.02743671
3.79803556 -13.78382980 16.36110437
-0.00011913 -0.00019457 0.00000169
0.01527077 -0.00706961 -0.02381742
-2.58854909 -2.20774208 -13.50221489
-0.00008626 0.00016560 0.00019310
0.01150135 0.01705748 -0.02270739
15.46414412 -7.43044925 -13.17169934
-0.00008343 -0.00001789 0.00000640
0.03152444 -0.00792902 -0.01473054
9.88130726 -3.86621898 6.47067166
0.00007881 -0.00010557 -0.00016759
-0.02759080 0.01413109 -0.00600768
-19.45607119 1.39599425 24.83859085
-0.00005590 -0.00002491 0.00002681
-0.00155087 -0.03237108 -0.01418666
23.98962137 -1.00220938 -7.36550345
-0.00029895 0.00019903 -0.00006293
0.01483965 -0.01464175 -0.01606443
11.67210757 -10.21667624 -11.37281586
0.00008114 0.00032210 0.00003264
-0.00882836 -0.02650241 0.02507696
-9.04272033 -10.60615104 16.21574392
-0.00024683 0.00019552 -0.00027307
0.03006334 -0.00069876 0.02293186
7.13121443 1.54498765 -27.96094209
0.00025911 -0.00017537 -0.00012275
-0.00921286 -0.00354396 0.01429768
12.59095085 18.43705573 12.69552178
0.00016699 -0.00033668 -0.00029773
0.04389988 0.00803491 0.00596197
26.09717828 7.54355141 -11.03043084
0.00013687 -0.00003327 0.00021885
-0.00497687 -0.00055674 0.02280646
4.94809174 -29.79179340 -4.72866113
-0.00036485 0.00022818 0.00029769
0.00080266 -0.00138424 -0.00456513
3.84532637 -30.20333770 -2.08350637
-0.00000411 -0.00109581 0.00022782
-0.00509163 0.00251041 0.01996459
-9.86817887 2.73952799 -8.61605944
-0.00002328 0.00054858 0.00009653
-0.04128764 -0.01460279 -0.01339453
-11.76773323 2.66029817 -10.99276577
0.00015659 0.00039368 0.00016320
0.00102669 -0.00115425 0.00708837
-36.67367575 3.35103427 2.84247910
0.00046952 -0.00010101 -0.00098189
0.01734698 -0.03945788 -0.00291023
-37.89690091 0.73412281 3.45579597
-0.00142797 0.00027286 -0.00087900
0.01291040 0.00339421 -0.00065603
-8.92658234 -3.86117661 1.76706934
0.00022299 0.00014898 0.00109992
0.00342865 -0.00446608 -0.00206282
-6.57813954 -5.08947606 2.89400345
-0.00050367 -0.00031784 0.00000224
0.00215735 -0.00032067 -0.00062716
3.02284836 -0.10037277 7.54461503
0.00075100 -0.00017200 -0.00004953
0.02804962 -0.00161417 -0.04688418
1.35419534 1.59489042 9.20724526
-0.00090193 -0.00057240 0.00001228
0.00806881 -0.02395084 -0.00101687
-30.11869191 0.07887962 2.99735490
-0.00038710 -0.00018165 0.00008283
-0.00436622 0.02047073 -0.01212321
-32.80518589 0.98112307 2.80785178
0.00078007 0.00081251 -0.00012876
-0.00327596 0.01207469 -0.00268858
15.82788172 11.67643034 -18.51498489
-0.00066051 -0.00096167 -0.00005878
-0.03301939 -0.04512118 -0.00117856
18.40415565 12.58492266 -17.66019975
0.00047366 -0.00008101 0.00003106
-0.02406072 0.00349721 -0.00661302
-2.87917464 6.60828584 6.18173336
-0.00009146 -0.00033655 0.00004962
0.00092326 0.00271356 -0.00269424
-2.60691244 4.94797507 3.74007183
0.00021759 -0.00050884 0.00042770
-0.01619583 0.00402123 0.03332737
6.58452460 16.44597669 -8.56614169
0.00133378 -0.00010773 -0.00021354
-0.00384493 -0.00102915 -0.01480311
6.87531709 17.89793458 -6.15517262
-0.00135647 -0.00128497 0.00047842
0.00825931 0.00931602 0.01121561
7.61558661 5.60932996 -22.64528662
-0.00112975 0.00062535 0.00066526
0.00599763 0.00626392 0.00524764
8.47143499 7.17151690 -20.23484153
-0.00065902 0.00039280 0.00187932
-0.00233827 -0.00868895 -0.00436549
18.90646249 21.16863349 -4.23367338
-0.00108398 0.00050319 0.00112213
-0.00204860 -0.02385300 -0.01177193
19.58064640 19.66665710 -6.74085473
0.00069453 -0.00042855 -0.00030561
0.01809316 0.00552394 -0.01645577
1.39061605 12.46795597 -21.31280937
0.00086173 0.00037889 -0.00088448
0.01197543 -0.01333524 0.00848303
0.54920617 14.90389650 -22.24864081
-0.00027821 0.00044303 0.00069966
0.01020640 0.00740069 0.01366660
9.82008322 -6.95129107 0.43226268
-0.00006338 -0.00016358 0.00068391
0.00424221 -0.00384176 -0.00520601
9.19124311 -4.08177464 -0.16982590
-0.00049076 0.00045544 0.00066365
0.03405842 -0.02241083 0.00704547
-18.20839942 -5.70084900 6.56885560
0.00049003 -0.00011147 -0.00017879
0.00077027 -0.00536967 0.01190547
-18.73846845 -4.87567811 3.91362878
0.00065223 0.00067299 0.00009780
0.01134260 0.00132783 0.00613306
-14.56482632 -0.27267175 19.23888356
-0.00047915 -0.00010832 -0.00128463
-0.00129837 0.00624629 -0.01116591
-14.66847081 -0.20265065 22.15919304
-0.00031271 -0.00012620 0.00003932
0.00361609 0.00208215 0.00116845
0.96663770 2.50333151 -2.88342637
-0.00036848 -0.00096277 -0.00066571
-0.00051100 -0.00167990 -0.00386128
1.75590230 2.86256828 -5.71139896
-0.00072187 0.00033232 0.00001892
-0.00240967 -0.00597300 0.01725434
21.22596796 -10.22382817 -6.29986605
-0.00029623 0.00041581 0.00051052
-0.00840609 -0.01318119 0.03281965
23.00091003 -9.95725043 -3.97678563
0.00071312 0.00025676 -0.00111877
-0.05438811 -0.01608038 -0.00596319
4.60526682 -10.40729250 6.73011005
0.00040523 -0.00015749 -0.00048109
0.05392884 0.00355426 -0.02648917
3.40120185 -11.39692691 9.18390447
0.00018731 0.00064478 0.00022947
0.00457161 -0.00219237 0.00271793
-1.96798183 -3.49480638 -20.62994864
0.00004301 -0.00083771 -0.00019198
-0.00609603 -0.00038206 -0.00798884
-2.77084845 -2.05238000 -18.29150856
0.00109420 0.00029330 -0.00003566
-0.01426376 0.00129638 0.02144070
0.88075704 4.64570218 -10.62135075
-0.00015449 -0.00031444 -0.00028579
0.00631647 0.01146739 -0.00833645
-0.79401433 3.36147120 -8.85887121
0.00119499 0.00096867 -0.00157770
-0.01443194 -0.00689261 0.01222357
-4.29580223 15.83184810 15.64725023
-0.00071354 0.00010013 -0.00006157
0.02040933 0.02401524 0.03180798
-6.68068356 15.13869880 14.47722037
0.00001755 -0.00031889 -0.00094237
-0.01758285 -0.00335316 -0.00105103
-6.43674145 2.04240818 -5.88159033
0.00046531 -0.00047831 0.00035269
-0.00774917 -0.00722908 0.00353025
-5.30732477 1.79633303 -8.56265627
-0.00147841 0.00104953 -0.00010214
-0.00313628 -0.00450547 -0.01006102
-10.03889323 -0.57997875 -3.60631196
-0.00005536 0.00071909 0.00041249
0.00492468 -0.00405369 -0.00605606
-9.85753409 2.20749222 -2.75116369
0.00007001 0.00003542 -0.00044444
0.02534189 -0.01425592 -0.03514024
3.54524252 28.99920244 4.95008502
-0.00000185 -0.00060429 0.00000925
-0.01269802 -0.02057224 -0.00547067
3.02191582 28.03079530 7.47664710
-0.00049705 0.00046928 -0.00099137
-0.00184627 0.00216232 0.04027702
7.84823843 -11.21398788 -1.58259763
0.00028835 -0.00019909 -0.00083800
0.03659783 0.00995618 0.00362409
10.48224231 -11.83618736 -0.11846707
-0.00128946 -0.00093827 -0.00066945
-0.00845569 0.00458065 -0.00249406
-5.30345374 0.04684346 8.83646902
0.00088636 -0.00017540 0.00018308
-0.00420892 -0.01410157 -0.00247031
-8.34660498 0.20444745 9.16111236
-0.00038594 0.00008103 0.00038673
-0.01774803 -0.02709540 -0.00273642
19.79167790 10.57403118 8.73768611
-0.00125531 -0.00073423 0.00029625
0.01471372 0.00203388 -0.02303991
22.00610318 10.77777959 6.65079776
0.00158143 0.00031678 -0.00014725
0.00065096 0.00406154 0.01287886
-3.03876422 -0.08508701 -22.42379782
-0.00012670 0.00119251 -0.00037297
0.00481782 0.01476427 -0.01713818
-4.93558567 1.64731580 -23.99164525
0.00081006 0.00007472 0.00003237
0.05782278 -0.01915417 -0.00330928
-12.30971594 9.83047413 9.56162531
0.00048919 -0.00003972 0.00018448
0.00297874 0.00956641 -0.00048940
-13.81609351 9.20650870 7.09317819
-0.00071843 -0.00033615 0.00077344
0.00359817 0.00567656 0.00993537
-14.92062994 4.85292550 -4.51152273
0.00011236 -0.00047263 -0.00050583
0.01944095 0.00163197 0.00564197
-13.60863472 7.49930255 -4.60335073
-0.00005573 -0.00065997 -0.00025587
-0.00276805 -0.02183064 0.01989388
-4.35037735 -16.01454993 20.66935650
-0.00071685 -0.00084776 0.00085009
-0.01756776 -0.00582842 0.00334648
-1.96009181 -16.65692200 19.26945304
-0.00007240 0.00045976 -0.00038323
-0.00031662 0.01171971 0.00926821
-5.76783546 6.19203138 -7.47384255
-0.00046561 0.00052721 -0.00040242
0.01063368 -0.00180930 -0.00639866
-7.26821840 8.39534092 -6.73203349
0.00028355 0.00087364 -0.00000626
-0.00719363 0.01615308 -0.00078004
-20.74556218 28.83451940 1.05635763
0.00038303 -0.00051460 -0.00023348
0.01940742 0.02350506 -0.00997981
-18.00707083 29.53756137 0.16724604
0.00019205 -0.00047440 -0.00006291
-0.00353925 -0.00270630 0.00713717
9.06331492 2.88030186 6.66334285
-0.00047359 0.00079523 0.00027064
-0.02678006 -0.01922515 -0.03656525
9.36070393 5.54379553 8.11049815
0.00074405 -0.00114403 0.00074458
-0.00352652 -0.00348600 -0.00290650
7.79992573 17.79120478 -12.36163985
0.00037077 -0.00039556 0.00016223
-0.00039177 -0.00761962 0.00608985
8.36611058 15.04455162 -12.30136395
0.00001934 0.00015001 0.00016036
0.01509944 -0.01970860 -0.00499497
12.24303003 6.09515651 -1.17184258
0.00097216 -0.00065564 0.00023643
0.01897794 -0.02169972 0.00081219
13.43169768 3.77201265 0.29855599
-0.00078487 0.00014395 0.00063485
-0.00072311 -0.00420136 0.01536507
-4.64594192 10.48420456 -2.03987951
0.00069890 -0.00007133 -0.00106179
0.00960406 -0.00170357 0.00055375
-7.01175262 10.91279348 -0.30959305
-0.00061425 0.00072331 0.00088401
0.01629714 0.01168948 -0.01983245
7.65030410 14.35050263 5.18941122
0.00053440 0.00119300 0.00035344
-0.00025437 0.00003964 0.00000992
9.32334651 11.94474357 4.50921669
0.00033766 -0.00021227 0.00027118
-0.03609047 0.01056571 0.01336924
19.96220726 -13.08454988 -8.77535522
-0.00044684 0.00036106 -0.00005767
0.01617645 0.02546899 -0.00700564
22.71896855 -12.81520269 -9.78321141
-0.00054224 -0.00114790 -0.00132274
-0.00558627 0.00641118 0.00246341
19.48687425 -4.89116148 -2.40853431
-0.00067612 0.00046816 -0.00003725
-0.00588245 -0.00544121 0.00172430
18.41436766 -7.19616603 -0.68609604
0.00056402 -0.00084274 0.00113166
0.01629150 0.02080142 -0.00806315
13.84789049 9.27981732 9.34275724
-0.00008024 -0.00080626 0.00020752
0.00770839 -0.00482208 0.00016390
15.71202784 7.55112853 10.70366640
0.00110798 -0.00014204 0.00037164
0.00603059 -0.00178601 0.02858111
3.14821669 -15.23571076 17.25229191
0.00048653 0.00033669 -0.00086373
-0.01070182 0.00903637 0.01062717
3.27487437 -12.15797080 17.01035628
0.00049077 0.00026855 -0.00061783
-0.00161571 -0.01049174 0.00786042
-2.75920662 -3.74786435 -12.61407303
-0.00000951 0.00011546 -0.00050790
0.00113723 -0.01649958 0.00717261
-0.82510881 -2.04910101 -14.10815409
0.00026988 -0.00029141 -0.00031485
-0.01581590 -0.00058809 0.01772033
15.70718297 -7.65901511 -15.03306984
-0.00014589 -0.00079043 -0.00027358
-0.00191594 -0.00018016 0.01915707
17.07310177 -8.08943153 -12.42885080
0.00015794 0.00055881 -0.00046928
-0.02856813 0.01039377 -0.00753741
8.40330452 -3.14886186 5.50521581
0.00095513 0.00005300 -0.00118512
0.03307147 -0.02050190 0.01210945
11.10653217 -4.57298764 5.32435777
0.00109226 0.00010127 -0.00063209
-0.00395095 0.00727449 -0.00694304
-20.66219562 -0.04069902 24.92635851
-0.00006744 -0.00119065 -0.00082534
0.00727846 0.02742879 0.00306283
-19.75549494 2.69644959 26.07821318
-0.00052518 -0.00039917 -0.00033894
-0.00787047 0.00069049 0.00852964
25.08019213 -2.56116986 -7.45092754
0.00024286 -0.00029926 0.00078487
-0.01240400 0.01961931 0.00254969
23.78724923 -0.53622938 -9.14767779
0.00048655 0.00112716 -0.00034419
0.00424615 -0.00672320 0.00895404
12.33713652 -10.84253907 -9.72827418
0.00081358 -0.00001605 -0.00089998
-0.00649881 0.01762126 -0.01134318
12.87204914 -9.03555237 -12.05537886
0.00011264 0.00065082 0.00076412
0.01730592 0.00986686 -0.00383427
-7.41556765 -10.70957612 17.26319999
-0.00025749 0.00041102 -0.00076343
-0.03161031 0.00830229 -0.01941696
-10.15493901 -9.89662360 17.48935651
-0.00083483 0.00071851 -0.00055321
-0.00634575 -0.00557953 -0.00168537
8.31204631 1.27096831 -29.35045284
0.00032080 0.00073820 0.00064024
0.00717147 0.00739438 -0.00717295
5.49543145 0.94369300 -28.44451426
-0.00035586 0.00000276 -0.00035358
-0.00702842 -0.00552028 -0.00633133
13.89062851 19.36418157 13.71285889
-0.00109151 -0.00004891 -0.00005931
-0.02691651 -0.01182981 -0.01252853
13.71388038 17.66753282 11.42272094
-0.00006788 -0.00003592 0.00054004
-0.01535200 0.00318923 0.00690851
27.78602269 7.82708639 -11.70098689
0.00040251 0.00006657 -0.00081875
0.00685947 -0.00021863 0.00102064
26.24717596 7.72260420 -9.13319043
0.00014343 0.00024779 -0.00000587
0.00045382 0.00167690 -0.01670070
-7.78982837 4.72815867 6.21643307
0.00007053 -0.00001258 0.00013915
-0.00334293 -0.00320042 0.00071308
-10.16078666 9.07292066 3.17206838
0.00033500 -0.00011809 0.00027468
0.00344269 -0.00086245 0.00219161
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.07624090
0.31331801
417.48053805
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0599563953
ExchangeOperator: pair fraction: ispin=0: 0.1497241752
ExchangeOperator: bisection time: 1.255 s
total exchange = -52.3012164226 (a.u.)
total exchange computation time: 2.9313461781 s
-153.8494289473
-931.38925598
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0599563953
ExchangeOperator: pair fraction: ispin=0: 0.1497241752
ExchangeOperator: bisection time: 1.256 s
total exchange = -52.3015056887 (a.u.)
total exchange computation time: 2.9328589439 s
-153.8475762832
Anderson extrapolation: theta=1.3539878052 (1.3539878052)
-931.38948554
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0599563953
ExchangeOperator: pair fraction: ispin=0: 0.1497241752
ExchangeOperator: bisection time: 1.256 s
total exchange = -52.3018521080 (a.u.)
total exchange computation time: 2.9313108921 s
-153.8453989466
Anderson extrapolation: theta=0.0517941799 (0.0517941799)
-931.38962321
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0599563953
ExchangeOperator: pair fraction: ispin=0: 0.1497241752
ExchangeOperator: bisection time: 1.256 s
total exchange = -52.3018289691 (a.u.)
total exchange computation time: 2.9307549000 s
-153.8456332205
Anderson extrapolation: theta=1.9359656773 (1.9359656773)
-931.38962834
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0599563953
ExchangeOperator: pair fraction: ispin=0: 0.1497241752
ExchangeOperator: bisection time: 1.254 s
total exchange = -52.3017674394 (a.u.)
total exchange computation time: 2.9344820976 s
-153.8461827050
Anderson extrapolation: theta=0.2170866020 (0.2170866020)
-931.38963373
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0599563953
ExchangeOperator: pair fraction: ispin=0: 0.1497241752
ExchangeOperator: bisection time: 1.254 s
total exchange = -52.3017485379 (a.u.)
total exchange computation time: 2.9310259819 s
-153.8463107073
Anderson extrapolation: theta=1.8904993556 (1.8904993556)
-931.38963477
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0599563953
ExchangeOperator: pair fraction: ispin=0: 0.1497241752
ExchangeOperator: bisection time: 1.254 s
total exchange = -52.3017239472 (a.u.)
total exchange computation time: 2.9296360016 s
-153.8464338247
Anderson extrapolation: theta=0.2813815940 (0.2813815940)
-931.38963609
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0599563953
ExchangeOperator: pair fraction: ispin=0: 0.1497241752
ExchangeOperator: bisection time: 1.257 s
total exchange = -52.3017282373 (a.u.)
total exchange computation time: 2.9338209629 s
-153.8463562153
Anderson extrapolation: theta=1.3229082707 (1.3229082707)
-931.38963642
21.406260 27.461328 -165.856338
559.453816 1075.016582 -408.351182
580.860075 1102.477910 -574.207521
1372.067872
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0599563953
ExchangeOperator: pair fraction: ispin=0: 0.1497241752
ExchangeOperator: bisection time: 1.255 s
total exchange = -52.3017414501 (a.u.)
total exchange computation time: 2.8734149933 s
677.72632767
-1081.65915427
89.91481977
-390.46337826
-174.60651013
77.08444177
551.60419304
0.00000000
-931.38963668
4.53787855 -31.10202728 -3.49007503
-0.00005571 -0.00023862 -0.00003174
0.00390082 -0.00576802 -0.01908588
-11.59101473 2.15766545 -9.20799792
0.00025400 0.00007125 0.00014673
0.03778736 0.01518622 -0.00049907
-36.16901743 1.41977756 3.26877905
0.00006572 0.00007853 0.00033830
-0.04438704 0.03122044 0.00033560
-7.34967481 -3.45163164 2.65573872
0.00006989 0.00001812 0.00002607
-0.00429202 0.00013458 0.00547192
2.25181801 -0.06002820 9.10041792
-0.00003895 -0.00021457 0.00014830
-0.03368565 0.02208720 0.04000754
-31.09792586 1.64679417 2.54318586
-0.00011814 0.00018297 0.00004088
0.01707532 -0.03412198 0.02359402
16.76386596 13.13946944 -18.46449327
-0.00014050 0.00017650 -0.00038647
0.04962986 0.03504766 0.02051653
-3.46097335 5.04062409 5.42896615
0.00004844 -0.00006343 -0.00028178
0.01473591 -0.00498847 -0.03149145
5.61211283 17.04399394 -7.10638740
-0.00016608 0.00010991 0.00001816
-0.01302821 -0.00882315 0.00035089
7.29981815 5.84938428 -20.80952132
0.00029771 0.00027056 -0.00008938
0.00351385 0.00620448 0.00587099
18.64843390 19.52998538 -5.23857329
0.00008177 -0.00019100 -0.00023201
-0.01157445 0.01519479 0.03244995
1.98676557 14.19181389 -21.25713070
-0.00008860 0.00031083 -0.00012639
-0.02365381 0.01171303 -0.01724779
10.60187402 -5.29975907 0.42214719
0.00013570 -0.00002808 0.00001098
-0.04014029 0.02685792 -0.00836082
-17.62445821 -4.50084247 5.35207163
0.00043489 -0.00059706 -0.00003113
-0.01010486 0.00551643 -0.01870066
-14.32408766 -1.29183263 20.73763580
-0.00007556 0.00009483 0.00025169
-0.00143868 -0.00681394 0.00036140
1.61496410 3.71777106 -4.08835774
0.00007400 0.00003304 -0.00022005
0.00177992 0.00261252 -0.00702072
21.16685234 -10.56899204 -4.40675156
-0.00014602 0.00014586 0.00013357
0.06521337 0.03522179 -0.01953135
3.11010549 -10.58665657 7.58299265
-0.00004369 -0.00022433 -0.00031714
-0.05609776 -0.00073545 0.01857067
-2.03085922 -1.79785421 -19.89214125
-0.00015404 -0.00004746 -0.00024856
0.02425647 -0.00383601 -0.01541835
-0.74745059 3.82908434 -10.60030553
-0.00036062 0.00021661 -0.00002306
0.01156905 0.00558060 -0.01717706
-4.91694916 14.81715360 14.36440164
0.00010236 0.00028634 -0.00017131
-0.00238468 -0.02168776 -0.03504350
-5.23862149 2.78554691 -7.04969702
0.00022482 0.00002964 0.00024157
0.00454836 0.01174179 0.00428624
-9.16004721 0.94836759 -4.08043752
0.00015688 0.00003725 -0.00013205
-0.01995249 0.01070673 0.02754171
2.84430968 27.48603820 5.80902496
0.00003266 0.00016376 0.00010800
0.01107816 0.01820154 -0.03950479
9.70168285 -10.80949950 -1.45798126
-0.00039446 0.00009638 -0.00000386
-0.03004357 -0.00248486 -0.00730420
-6.78632164 1.02626487 9.25189265
-0.00007181 0.00009170 -0.00005603
0.02451089 0.03738583 0.00563310
20.17679402 10.71721261 6.90301930
-0.00021670 -0.00021119 -0.00002643
-0.00046933 -0.00656650 0.01121739
-3.05751725 1.00601395 -24.00254949
-0.00011614 -0.00015690 -0.00007860
-0.06187294 0.00735452 0.01624097
-13.47780911 8.61420461 8.80027758
0.00008325 -0.00035443 0.00009742
-0.01499014 -0.01630802 -0.00304127
-13.69150050 5.91725349 -3.58583338
-0.00018833 -0.00009931 -0.00029396
-0.01454387 0.01568697 -0.02142293
-2.64445446 -15.49933821 20.54570164
-0.00041030 -0.00010943 0.00003861
0.00792733 -0.00500431 -0.00691790
-5.88846391 8.00702170 -7.84781060
0.00018742 0.00013413 0.00016041
0.00157007 -0.02054313 0.00126732
-19.53187910 30.25950949 0.86011569
0.00009017 0.00000261 -0.00003127
-0.02319413 -0.01594762 0.00601188
9.89580407 3.77686146 7.90831108
0.00013894 -0.00001349 -0.00004625
0.04049055 0.01333925 0.04355866
7.26628816 16.22817295 -11.54598395
-0.00002776 0.00022831 0.00000770
-0.01185237 0.01789722 -0.00255098
13.46733822 4.67850849 -1.28239403
-0.00020262 -0.00025713 -0.00011834
-0.00803531 0.03034380 -0.00719779
-5.93232938 11.71401675 -1.62671747
0.00028199 0.00010130 0.00057586
-0.01506468 -0.01303121 0.01354700
7.62349829 12.51993948 5.26849244
-0.00023895 -0.00014298 -0.00002207
0.04321215 0.00238650 -0.01991962
21.22637846 -11.79641852 -9.37309151
-0.00070043 0.00027403 0.00016687
-0.00901788 -0.03363711 -0.00800380
19.64415978 -5.74893621 -0.76970591
-0.00021133 0.00017868 0.00035370
-0.00983514 -0.02048646 0.00005481
15.17424395 8.02088863 9.07848895
0.00042234 0.00003313 0.00039606
-0.01050961 0.00596658 -0.02597238
3.79630757 -13.78677564 16.36103783
-0.00011040 -0.00019648 -0.00001179
0.01867635 -0.00033523 -0.02860441
-2.58979866 -2.20519222 -13.49940593
-0.00007956 0.00017493 0.00018090
0.01457119 0.01920471 -0.02473851
15.46301421 -7.43074812 -13.17166016
-0.00006738 -0.00002191 -0.00000185
0.03090280 -0.00771449 -0.01736049
9.88238305 -3.86774807 6.46813465
0.00006606 -0.00009915 -0.00017190
-0.02200907 0.01083621 -0.01076085
-19.45691564 1.39549568 24.83893823
-0.00005716 -0.00004312 0.00001888
-0.00336549 -0.03844382 -0.01664211
23.98519432 -0.99928038 -7.36650939
-0.00029088 0.00019114 -0.00007158
0.01655815 -0.01605336 -0.01757771
11.67329057 -10.21194695 -11.37222948
0.00007649 0.00030871 0.00004494
-0.00925587 -0.02558930 0.02275447
-9.04630677 -10.60322092 16.21173627
-0.00023214 0.00019545 -0.00026120
0.02705764 0.00043898 0.02324988
7.13506552 1.54234341 -27.96272826
0.00025255 -0.00017738 -0.00011459
-0.01631028 -0.00427813 0.01745542
12.59362504 18.43203657 12.69107889
0.00018782 -0.00033238 -0.00029413
0.03711253 0.00866574 0.00803781
26.09921219 7.54305027 -11.02706009
0.00013520 -0.00003337 0.00022978
-0.00151631 0.00015260 0.01967921
4.94264359 -29.78841311 -4.72433566
-0.00036189 0.00022195 0.00027958
0.00064465 -0.00166468 -0.00430074
3.84510870 -30.21969787 -2.07947730
-0.00002648 -0.00108325 0.00031230
-0.00585877 0.00363618 0.02138699
-9.86979322 2.74730928 -8.61502199
-0.00018970 0.00048927 0.00004288
-0.04017657 -0.01443411 -0.01286391
-11.76535298 2.66616801 -10.99010055
0.00016061 0.00038821 0.00019316
0.00094369 -0.00152208 0.00757476
-36.66610139 3.34830999 2.82766150
0.00053986 -0.00026193 -0.00099173
0.01708614 -0.03931451 -0.00190216
-37.91792490 0.73831973 3.44259088
-0.00136149 0.00029232 -0.00088232
0.01963125 0.00613281 -0.00096851
-8.92313236 -3.85907881 1.78350500
0.00022887 0.00012969 0.00108623
-0.00055100 -0.00497552 -0.00464125
-6.58562850 -5.09425351 2.89401780
-0.00049401 -0.00031823 -0.00000000
0.00257312 0.00013111 -0.00046894
3.03497284 -0.10300228 7.54243540
0.00085962 -0.00017727 -0.00022874
0.02511970 -0.00096412 -0.04084205
1.34091360 1.58557046 9.20739829
-0.00086778 -0.00067027 0.00000716
0.00864724 -0.02395590 -0.00148985
-30.12463222 0.07678222 2.99822579
-0.00040474 -0.00009653 0.00003290
-0.00426821 0.02119622 -0.01231545
-32.79358517 0.99368067 2.80583805
0.00075204 0.00085644 -0.00013766
-0.01044854 0.00943297 -0.00167128
15.81696224 11.66062258 -18.51590276
-0.00078022 -0.00112335 -0.00006228
-0.02558086 -0.03402082 -0.00053206
18.41052322 12.58381460 -17.65993651
0.00036848 -0.00006506 0.00000098
-0.02742575 0.00431448 -0.00811182
-2.88051821 6.60332069 6.18239517
-0.00008667 -0.00032349 0.00003891
0.00142184 0.00368264 -0.00255077
-2.60414492 4.94046563 3.74750857
0.00015462 -0.00049198 0.00055746
-0.01462605 0.00423494 0.03018989
6.60441348 16.44432922 -8.56979843
0.00130993 -0.00010730 -0.00026428
-0.00782751 0.00123835 -0.01003423
6.85522319 17.87894550 -6.14765257
-0.00130756 -0.00123615 0.00053690
0.01568169 0.01458350 0.01740912
7.59882412 5.61890221 -22.63514697
-0.00110018 0.00065117 0.00067532
0.00847895 0.00637314 -0.00032184
8.46147809 7.17714260 -20.20678552
-0.00066830 0.00035614 0.00185705
-0.00220808 -0.00925733 -0.00653306
18.89014008 21.17545040 -4.21720220
-0.00109098 0.00039778 0.00106671
-0.00138141 -0.02774556 -0.01535732
19.59161881 19.66039813 -6.74594316
0.00076494 -0.00040460 -0.00036537
0.01637355 0.00620037 -0.01279496
1.40390890 12.47323071 -21.32581659
0.00090848 0.00031960 -0.00085009
0.01091144 -0.01568913 0.00834963
0.54534573 14.91076869 -22.23772707
-0.00023868 0.00047392 0.00075334
0.00914297 0.00772056 0.01260784
9.81926248 -6.95386254 0.44236178
-0.00004510 -0.00017592 0.00066242
0.00470915 -0.00219641 -0.00531195
9.18492533 -4.07562975 -0.15965526
-0.00034846 0.00036083 0.00069268
0.03559874 -0.02390383 0.00716747
-18.20102537 -5.70268566 6.56653854
0.00049025 -0.00013821 -0.00012643
-0.00066356 -0.00771573 0.01372551
-18.72833737 -4.86554260 3.91528366
0.00069419 0.00067582 0.00011840
0.00919724 0.00005686 0.00395147
-14.57205340 -0.27410508 19.21927202
-0.00048220 -0.00009124 -0.00131474
-0.00019368 0.00211039 -0.00357428
-14.67305072 -0.20447987 22.15981870
-0.00029870 -0.00011450 0.00004570
0.00324302 0.00364708 0.00195459
0.96109478 2.48883851 -2.89353033
-0.00036779 -0.00096309 -0.00068576
0.00085023 0.00152257 -0.00595416
1.74500041 2.86737005 -5.71058640
-0.00073069 0.00030575 0.00008266
-0.00191020 -0.00703191 0.01394623
21.22126693 -10.21799494 -6.29120260
-0.00033196 0.00036209 0.00063999
-0.00908256 -0.01311688 0.03056057
23.00994021 -9.95389185 -3.99374991
0.00048734 0.00018981 -0.00114092
-0.05613324 -0.01668763 -0.00487706
4.61299783 -10.40954595 6.72208200
0.00061522 -0.00014389 -0.00058361
0.04886298 0.00310474 -0.02369540
3.40415164 -11.38732243 9.18742973
0.00020535 0.00063702 0.00023829
0.00425590 -0.00160261 0.00160321
-1.96752346 -3.50738375 -20.63307321
0.00001691 -0.00083090 -0.00022143
-0.00668240 0.00371769 -0.00642334
-2.75487247 -2.04794076 -18.29138649
0.00103375 0.00029746 0.00005748
-0.01532752 0.00074089 0.02415326
0.87863323 4.64133692 -10.62589306
-0.00012786 -0.00026635 -0.00032294
0.00671957 0.01207238 -0.00984971
-0.77653172 3.37579001 -8.88216209
0.00113252 0.00093101 -0.00149730
-0.01614866 -0.01154373 0.02713094
-4.30587994 15.83408599 15.64730142
-0.00062922 0.00020150 0.00007233
0.02086794 0.02560647 0.03373572
-6.68095911 15.13381266 14.46305263
-0.00005450 -0.00033233 -0.00094643
-0.01768334 -0.00322329 -0.00093847
-6.42999923 2.03501201 -5.87619185
0.00043494 -0.00050609 0.00036597
-0.00711609 -0.00636809 0.00297265
-5.32959704 1.81193792 -8.56449661
-0.00149047 0.00102942 -0.00014631
-0.00276709 -0.00533778 -0.01156239
-10.03957266 -0.56931656 -3.60031019
-0.00003742 0.00069701 0.00038843
0.00385652 -0.00675547 -0.00571942
-9.85570741 2.20758661 -2.75890705
0.00017327 -0.00002043 -0.00058630
0.02520521 -0.01307901 -0.03430052
3.54482560 28.98950770 4.95005609
-0.00005083 -0.00068197 -0.00001736
-0.01127536 -0.01745388 -0.00755462
3.01440348 28.03790075 7.46301078
-0.00050365 0.00048335 -0.00080939
-0.00138524 0.00472327 0.04880381
7.85368511 -11.21666917 -1.59505657
0.00043024 -0.00015925 -0.00082394
0.03285779 0.00954446 0.00325919
10.46264136 -11.85012099 -0.12858531
-0.00132098 -0.00092074 -0.00067747
-0.00697547 0.00399615 -0.00142714
-5.29028736 0.04378029 8.83913948
0.00085802 -0.00022685 0.00017600
-0.00966213 -0.01108125 -0.00099630
-8.35293788 0.20483259 9.16682950
-0.00045275 -0.00002768 0.00037586
-0.01495538 -0.02611895 -0.00258667
19.77329918 10.56308012 8.74142378
-0.00119203 -0.00072483 0.00019603
0.01625850 0.00256693 -0.02601639
22.02984464 10.78265580 6.64898372
0.00156020 0.00033234 -0.00008964
-0.01104370 0.00355295 0.01532016
-3.04051705 -0.06674697 -22.42991759
-0.00010606 0.00124497 -0.00043412
0.00528629 0.01091548 -0.01279210
-4.92166286 1.64784970 -23.99126105
0.00103832 -0.00000052 0.00001830
0.05391195 -0.01767523 -0.00357885
-12.30228685 9.83017146 9.56437750
0.00049645 -0.00000463 0.00017928
0.00057742 0.00761200 -0.00205534
-13.82675973 9.20164035 7.10508429
-0.00070446 -0.00031047 0.00080700
0.00324114 0.00689518 0.00649167
-14.91834880 4.84588602 -4.51893736
0.00019242 -0.00046505 -0.00048180
0.01974812 0.00207830 0.00612452
-13.60955555 7.48873406 -4.60657921
-0.00006673 -0.00074336 -0.00017846
-0.00261413 -0.01898802 0.01800101
-4.36166850 -16.02744498 20.68221043
-0.00077812 -0.00086893 0.00086218
-0.01242153 -0.00453454 0.00256910
-1.96118757 -16.64966644 19.26398856
-0.00007500 0.00050759 -0.00034490
-0.00095246 0.01169021 0.00949519
-5.77449371 6.19988409 -7.48007488
-0.00042185 0.00051296 -0.00042590
0.01078393 -0.00516751 -0.00509805
-7.26418554 8.40894049 -6.73215130
0.00025436 0.00093874 -0.00000947
-0.00709626 0.01571414 -0.00079113
-20.73922210 28.82752072 1.05254969
0.00046201 -0.00041666 -0.00027384
0.01925689 0.02443800 -0.00977801
-18.00429858 29.53036240 0.16652111
0.00017442 -0.00048255 -0.00003230
-0.00509003 -0.00128054 0.00784614
9.05539039 2.89164116 6.66628204
-0.00058605 0.00071382 0.00011750
-0.02826961 -0.02062582 -0.03840019
9.37175657 5.52652829 8.12157783
0.00072473 -0.00114332 0.00073381
-0.00593036 0.00383467 -0.00236486
7.80547524 17.78503782 -12.35901982
0.00037071 -0.00041930 0.00018405
0.00036379 -0.00399716 0.00459421
8.36686338 15.04619780 -12.29911164
0.00008017 0.00006942 0.00014080
0.01467656 -0.01974060 -0.00458102
12.25819401 6.08465695 -1.16827118
0.00103954 -0.00073217 0.00023902
0.01400509 -0.01576389 0.00045512
13.41990243 3.77404309 0.30854953
-0.00078618 0.00012901 0.00069023
0.00008466 -0.00310911 0.01174330
-4.63516418 10.48308238 -2.05578941
0.00072781 -0.00007196 -0.00105409
0.00454875 0.00139363 0.00321517
-7.02046703 10.92400137 -0.29694056
-0.00054199 0.00077060 0.00079841
0.01907697 0.01145763 -0.02206971
7.65831226 14.36839882 5.19471312
0.00053272 0.00117362 0.00035434
-0.00056490 -0.00952315 0.00043266
9.32730547 11.94188335 4.51369401
0.00018744 -0.00016859 0.00032675
-0.03744143 0.01081409 0.01383430
19.95600032 -13.07835346 -8.77643495
-0.00038417 0.00046264 -0.00008445
0.01450419 0.02425221 -0.00610318
22.71066372 -12.83222477 -9.80297698
-0.00057839 -0.00111121 -0.00130861
-0.01210709 0.01155210 0.00445375
19.47655215 -4.88430577 -2.40904018
-0.00070002 0.00044202 -0.00002470
-0.00581640 -0.00735577 0.00441936
18.42332723 -7.20816976 -0.66936828
0.00063114 -0.00075483 0.00109701
0.01656407 0.02223207 -0.00889473
13.84692309 9.26757567 9.34587506
-0.00005055 -0.00082342 0.00020943
0.00682558 -0.00357731 0.00077114
15.72883233 7.54894316 10.71011677
0.00113022 -0.00014712 0.00048371
0.00485631 -0.00070009 0.02627932
3.15518667 -15.23038358 17.23966160
0.00043638 0.00036156 -0.00081116
-0.01384709 0.00313904 0.01510454
3.28218649 -12.15426411 17.00132967
0.00048378 0.00022432 -0.00058478
-0.00180888 -0.01115785 0.00831681
-2.75931443 -3.74663812 -12.62147177
-0.00000605 0.00004363 -0.00047597
0.00055443 -0.01865851 0.00845980
-0.82154524 -2.05349014 -14.11233377
0.00020018 -0.00029347 -0.00024076
-0.01830352 -0.00042404 0.01854681
15.70493586 -7.67087705 -15.03658647
-0.00015467 -0.00079017 -0.00019224
-0.00237804 0.00030843 0.02065571
17.07459541 -8.08073093 -12.43612093
0.00004375 0.00059983 -0.00049800
-0.02732510 0.00968930 -0.00652290
8.41864482 -3.14869503 5.48781003
0.00108752 -0.00002920 -0.00113520
0.03173805 -0.01973557 0.01232950
11.12279503 -4.57124564 5.31466365
0.00106749 0.00013606 -0.00065081
-0.00817546 0.00975505 -0.00221947
-20.66298422 -0.05771821 24.91407232
-0.00003231 -0.00107012 -0.00081224
0.00992045 0.03157088 0.00334869
-19.76361384 2.69048320 26.07339042
-0.00055915 -0.00039244 -0.00029941
-0.00875698 0.00260383 0.01081998
25.08345498 -2.56505758 -7.43907636
0.00018787 -0.00021299 0.00079296
-0.01451297 0.02261265 0.00141039
23.79467752 -0.51952805 -9.15256629
0.00050522 0.00109602 -0.00030232
0.00489393 -0.00851639 0.01154161
12.34914107 -10.84223981 -9.74212152
0.00078758 0.00005321 -0.00094013
-0.00622721 0.01628176 -0.00830673
12.87426904 -9.02548776 -12.04403452
0.00018290 0.00069102 0.00074663
0.01708577 0.00981381 -0.00472874
-7.42039857 -10.70315648 17.25115348
-0.00038475 0.00044527 -0.00083968
-0.03068507 0.00846414 -0.01790391
-10.16765589 -9.88601691 17.48100666
-0.00085579 0.00069315 -0.00056319
-0.00391651 -0.00683310 -0.00319795
8.31707799 1.28226796 -29.34106904
0.00035504 0.00076602 0.00060319
0.00959285 0.00622126 -0.01096555
5.48987818 0.94356524 -28.45001199
-0.00037552 -0.00001679 -0.00037790
-0.00259795 -0.00404949 -0.00557141
13.87343105 19.36308548 13.71158539
-0.00119533 -0.00009376 -0.00010675
-0.02390628 -0.01012658 -0.01069683
13.71239178 17.66709177 11.43103323
-0.00012302 -0.00002741 0.00056013
-0.01164202 0.00097362 0.00292546
27.79227052 7.82807825 -11.71323681
0.00042243 0.00006442 -0.00080991
0.00289026 -0.00083318 0.00330299
26.24934133 7.72637242 -9.13379031
0.00014653 0.00025482 -0.00007208
0.00106097 0.00176321 -0.01570954
-7.78877944 4.72796145 6.21852218
0.00006935 -0.00001372 0.00013940
-0.00322726 -0.00320337 0.00073056
-10.15575573 9.07114783 3.17619233
0.00033577 -0.00011829 0.00027518
0.00321225 -0.00083616 0.00212387
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.07607827
0.31355841
417.80086458
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0601017442
ExchangeOperator: pair fraction: ispin=0: 0.1496809086
ExchangeOperator: bisection time: 1.255 s
total exchange = -52.3012913922 (a.u.)
total exchange computation time: 2.8358428478 s
-153.8555741292
-931.38866942
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0601017442
ExchangeOperator: pair fraction: ispin=0: 0.1496809086
ExchangeOperator: bisection time: 1.257 s
total exchange = -52.3016056513 (a.u.)
total exchange computation time: 2.8364920616 s
-153.8536286025
Anderson extrapolation: theta=1.3678919457 (1.3678919457)
-931.38889696
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0601017442
ExchangeOperator: pair fraction: ispin=0: 0.1496809086
ExchangeOperator: bisection time: 1.256 s
total exchange = -52.3019860875 (a.u.)
total exchange computation time: 2.8359849453 s
-153.8513340479
Anderson extrapolation: theta=0.0574009540 (0.0574009540)
-931.38903657
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0601017442
ExchangeOperator: pair fraction: ispin=0: 0.1496809086
ExchangeOperator: bisection time: 1.256 s
total exchange = -52.3019632876 (a.u.)
total exchange computation time: 2.8372600079 s
-153.8515797653
Anderson extrapolation: theta=2.0756015282 (2.0000000000)
-931.38904270
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0601017442
ExchangeOperator: pair fraction: ispin=0: 0.1496809086
ExchangeOperator: bisection time: 1.257 s
total exchange = -52.3018997182 (a.u.)
total exchange computation time: 2.8370249271 s
-153.8521783631
Anderson extrapolation: theta=0.2683225726 (0.2683225726)
-931.38904990
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0601017442
ExchangeOperator: pair fraction: ispin=0: 0.1496809086
ExchangeOperator: bisection time: 1.256 s
total exchange = -52.3018780150 (a.u.)
total exchange computation time: 2.8381080627 s
-153.8523423674
Anderson extrapolation: theta=1.5766966904 (1.5766966904)
-931.38905147
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0601017442
ExchangeOperator: pair fraction: ispin=0: 0.1496809086
ExchangeOperator: bisection time: 1.256 s
total exchange = -52.3018557809 (a.u.)
total exchange computation time: 2.8365960121 s
-153.8524780466
Anderson extrapolation: theta=0.3318382084 (0.3318382084)
-931.38905314
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0601017442
ExchangeOperator: pair fraction: ispin=0: 0.1496809086
ExchangeOperator: bisection time: 1.257 s
total exchange = -52.3018611235 (a.u.)
total exchange computation time: 2.8380410671 s
-153.8524022386
Anderson extrapolation: theta=1.1265703943 (1.1265703943)
-931.38905359
21.494131 27.459260 -165.859765
559.415402 1075.024468 -408.421176
580.909533 1102.483728 -574.280940
1372.124212
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0601017442
ExchangeOperator: pair fraction: ispin=0: 0.1496809086
ExchangeOperator: bisection time: 1.254 s
total exchange = -52.3018764828 (a.u.)
total exchange computation time: 2.8222420216 s
677.73965180
-1081.67550289
89.90792747
-390.45104922
-174.60820456
77.09460893
551.60419304
0.00000000
-931.38905387
4.53705799 -31.10562882 -3.49062468
-0.00005358 -0.00024168 -0.00004188
0.00435650 -0.00612188 -0.02036192
-11.58705893 2.15879278 -9.20579893
0.00027296 0.00007900 0.00014618
0.03594455 0.01493739 -0.00165016
-36.16820282 1.42107589 3.27385478
0.00004140 0.00009390 0.00033835
-0.05017676 0.02856102 -0.00013831
-7.34864304 -3.45135939 2.65615083
0.00006860 0.00001822 0.00002945
-0.00072025 0.00028106 0.00769645
2.25110380 -0.06316150 9.10279679
-0.00005534 -0.00020350 0.00016698
-0.03005448 0.02095224 0.03261728
-31.09963216 1.64940716 2.54389000
-0.00010755 0.00016602 0.00005279
0.02412299 -0.03182216 0.02272006
16.76194992 13.14225212 -18.47021117
-0.00011635 0.00019131 -0.00037564
0.04428050 0.02255138 0.02161265
-3.46018986 5.03965338 5.42461799
0.00005538 -0.00006621 -0.00029695
0.01224286 -0.00583028 -0.02750684
5.60957143 17.04560855 -7.10611371
-0.00017361 0.00010362 0.00001560
-0.01625708 -0.01564556 -0.01030065
7.30429743 5.85346659 -20.81083931
0.00029900 0.00027379 -0.00008436
0.00149077 0.00636864 0.01362369
18.64961575 19.52717895 -5.24192824
0.00007622 -0.00018252 -0.00021551
-0.00998316 0.01778859 0.03171624
1.98534537 14.19652156 -21.25909311
-0.00010016 0.00031719 -0.00013495
-0.02130471 0.01299482 -0.01604810
10.60375475 -5.30007667 0.42227960
0.00011468 -0.00001445 0.00000673
-0.04160592 0.02615427 -0.00814861
-17.61797385 -4.50977712 5.35153248
0.00043062 -0.00059335 -0.00004051
-0.00649103 0.00891282 -0.01774780
-14.32522657 -1.29043647 20.74141248
-0.00007644 0.00009196 0.00024977
-0.00198375 -0.00435941 -0.00782372
1.61608093 3.71827672 -4.09168552
0.00007441 0.00003386 -0.00022222
-0.00016431 0.00057594 -0.00144399
21.16491360 -10.56666824 -4.40482340
-0.00011213 0.00016398 0.00012400
0.06655723 0.03523389 -0.01765687
3.10923375 -10.59002431 7.57830724
-0.00007072 -0.00022466 -0.00030836
-0.04902755 -0.00056518 0.01553927
-2.03307631 -1.79858094 -19.89592918
-0.00014128 -0.00005027 -0.00025728
0.02538220 -0.00706659 -0.01847760
-0.75281527 3.83235502 -10.60071762
-0.00035434 0.00022052 -0.00003539
0.01285891 0.00962168 -0.03077150
-4.91542293 14.82136502 14.36169675
0.00010109 0.00027508 -0.00018945
-0.00257272 -0.02209673 -0.03546606
-5.23523168 2.78603685 -7.04605698
0.00022687 0.00003555 0.00024412
0.00344204 0.01122859 0.00566057
-9.15777103 0.94896764 -4.08231201
0.00014698 0.00004293 -0.00011834
-0.01851721 0.01136485 0.02577925
2.84484229 27.48856476 5.81049263
0.00003784 0.00017156 0.00008647
0.00906301 0.01214557 -0.04423579
9.69565009 -10.80806341 -1.45806728
-0.00040904 0.00009540 -0.00000773
-0.02667327 -0.00131983 -0.00775308
-6.78730426 1.02778459 9.25107394
-0.00005884 0.00010979 -0.00005352
0.02593136 0.03294373 0.00413006
20.17354176 10.71401942 6.90266609
-0.00021462 -0.00021448 -0.00002065
0.00854074 -0.00623847 0.01125379
-3.05949802 1.00368879 -24.00366582
-0.00014682 -0.00015263 -0.00007151
-0.05743549 0.00924945 0.01131769
-13.47661817 8.60882518 8.80172714
0.00007629 -0.00036242 0.00009725
-0.01209096 -0.01473067 0.00239691
-13.69438158 5.91582442 -3.59032534
-0.00019587 -0.00009216 -0.00030443
-0.01478485 0.01211493 -0.01932260
-2.65057833 -15.50099900 20.54625406
-0.00040749 -0.00011226 0.00003525
0.00300486 -0.00599247 -0.00614227
-5.88564655 8.00895436 -7.84539950
0.00018810 0.00012455 0.00016084
0.00106719 -0.01671858 0.00038122
-19.53061604 30.25948706 0.85966982
0.00007875 -0.00000599 -0.00002843
-0.02119676 -0.01749661 0.00501510
9.89804431 3.77671057 7.90778536
0.00016044 -0.00000870 -0.00002412
0.04313854 0.00526939 0.04248418
7.26582597 16.23166659 -11.54587830
-0.00003380 0.00023635 0.00000664
-0.01162738 0.01337874 -0.00155440
13.46426799 4.67476866 -1.28419691
-0.00020548 -0.00024352 -0.00012097
-0.00308879 0.02257439 -0.00303712
-5.92815767 11.71548603 -1.61802729
0.00027493 0.00009396 0.00058251
-0.01239258 -0.01553779 0.01229823
7.62008066 12.51780395 5.26808455
-0.00021646 -0.00013954 -0.00003241
0.04426709 0.01099127 -0.02027361
21.21583722 -11.79243781 -9.37061937
-0.00070298 0.00025594 0.00016194
-0.00090844 -0.03672045 -0.01115364
19.64095196 -5.74633502 -0.76440027
-0.00021640 0.00016835 0.00035326
-0.00989953 -0.01970152 -0.00176100
15.18053856 8.02140863 9.08432962
0.00041758 0.00003552 0.00038330
-0.00799810 0.00330093 -0.02364493
3.79472366 -13.78972407 16.36075062
-0.00009993 -0.00019492 -0.00002771
0.02203759 0.00640286 -0.03330136
-2.59093582 -2.20249419 -13.49678783
-0.00007146 0.00018513 0.00016783
0.01689826 0.02047843 -0.02607796
15.46212270 -7.43110651 -13.17175491
-0.00005185 -0.00002574 -0.00001139
0.02949299 -0.00720001 -0.01974566
9.88328904 -3.86919355 6.46551462
0.00005628 -0.00009445 -0.00017848
-0.01601624 0.00743428 -0.01482420
-19.45778606 1.39470053 24.83915722
-0.00005922 -0.00006419 0.00000977
-0.00462323 -0.04347737 -0.01879867
23.98089501 -0.99647524 -7.36765094
-0.00028201 0.00018264 -0.00008091
0.01794014 -0.01698633 -0.01869454
11.67440215 -10.20741508 -11.37146757
0.00007169 0.00029597 0.00005588
-0.00939126 -0.02394072 0.01976898
-9.04968446 -10.60028740 16.20790799
-0.00021918 0.00019598 -0.00024929
0.02334296 0.00162301 0.02305332
7.13879078 1.53966617 -27.96437976
0.00024239 -0.00017980 -0.00010488
-0.02317172 -0.00511963 0.02031823
12.59658554 18.42708426 12.68669801
0.00020492 -0.00032782 -0.00028950
0.02936503 0.00905893 0.00996465
26.10123441 7.54255031 -11.02353752
0.00013527 -0.00003316 0.00023894
0.00177630 0.00065139 0.01596564
4.93723494 -29.78513485 -4.72027377
-0.00035964 0.00021456 0.00026270
0.00045616 -0.00195548 -0.00396310
3.84453197 -30.23583520 -2.07413750
-0.00005134 -0.00106688 0.00040118
-0.00630893 0.00437537 0.02212279
-9.87386983 2.75420597 -8.61477293
-0.00034946 0.00043138 -0.00000782
-0.03802796 -0.01390294 -0.01195444
-11.76291490 2.67194457 -10.98697111
0.00016420 0.00038133 0.00022463
0.00081129 -0.00184849 0.00783313
-36.65747990 3.34317627 2.81272732
0.00060886 -0.00042134 -0.00099754
0.01668804 -0.03871832 -0.00094496
-37.93774576 0.74289250 3.42932644
-0.00126931 0.00032211 -0.00088645
0.02549317 0.00844742 -0.00105596
-8.91971615 -3.85728594 1.79965621
0.00021840 0.00010834 0.00106209
-0.00457628 -0.00547554 -0.00717698
-6.59295977 -5.09902294 2.89400342
-0.00048265 -0.00031670 -0.00000162
0.00298483 0.00061669 -0.00032215
3.04863681 -0.10569088 7.53775271
0.00095418 -0.00017980 -0.00037964
0.02117178 -0.00027571 -0.03302284
1.32816182 1.57478233 9.20746002
-0.00083195 -0.00076681 0.00000015
0.00889150 -0.02330112 -0.00194092
-30.13083411 0.07598386 2.99834192
-0.00042142 -0.00000951 -0.00001747
-0.00389752 0.02139965 -0.01234147
-32.78262480 1.00681638 2.80372189
0.00069428 0.00088938 -0.00014230
-0.01782565 0.00669005 -0.00059905
15.80447501 11.64272981 -18.51685323
-0.00086859 -0.00123801 -0.00006324
-0.01767497 -0.02210756 0.00006237
18.41520997 12.58297096 -17.66017043
0.00025130 -0.00004634 -0.00003438
-0.02993437 0.00484800 -0.00919726
-2.88177465 6.59858124 6.18290066
-0.00007997 -0.00030672 0.00002875
0.00185536 0.00452443 -0.00242406
-2.60227378 4.93321572 3.75679553
0.00009913 -0.00047448 0.00067241
-0.01253667 0.00433152 0.02607932
6.62382264 16.44275764 -8.57407013
0.00127007 -0.00009772 -0.00029597
-0.01168707 0.00345400 -0.00547680
6.83609037 17.86085018 -6.13906558
-0.00122925 -0.00116676 0.00062028
0.02265161 0.01938047 0.02340478
7.58258127 5.62886505 -22.62502705
-0.00106071 0.00067742 0.00066199
0.01084053 0.00647746 -0.00620268
8.45138587 7.18220095 -20.17912989
-0.00067701 0.00031732 0.00182603
-0.00205575 -0.00974181 -0.00865568
18.87373300 21.18056690 -4.20167221
-0.00109491 0.00027796 0.00099751
-0.00054225 -0.03090645 -0.01851515
19.60359470 19.65451915 -6.75181575
0.00082736 -0.00037807 -0.00040888
0.01418073 0.00678748 -0.00850347
1.41787047 12.47754393 -21.33831210
0.00095107 0.00025165 -0.00081638
0.00993631 -0.01757286 0.00815128
0.54204563 14.91811404 -22.22604064
-0.00020404 0.00050611 0.00080238
0.00781630 0.00803921 0.01139714
9.81873035 -6.95656862 0.45213534
-0.00002486 -0.00018146 0.00064045
0.00519700 -0.00051844 -0.00544454
9.18078927 -4.07094984 -0.14904536
-0.00020125 0.00026121 0.00072169
0.03646297 -0.02486026 0.00702985
-18.19369200 -5.70499519 6.56506266
0.00048485 -0.00017382 -0.00006736
-0.00197941 -0.00971566 0.01518938
-18.71764262 -4.85540361 3.91718071
0.00072690 0.00067341 0.00012955
0.00681474 -0.00123432 0.00150823
-14.57929235 -0.27540906 19.19944142
-0.00048079 -0.00009033 -0.00131445
0.00088612 -0.00166211 0.00371403
-14.67743188 -0.20608557 22.16056416
-0.00028623 -0.00009658 0.00005511
0.00286325 0.00512409 0.00265145
0.95560397 2.47443882 -2.90399919
-0.00036162 -0.00095045 -0.00071391
0.00216819 0.00466613 -0.00782376
1.73398146 2.87174086 -5.70891913
-0.00073746 0.00027467 0.00013215
-0.00139983 -0.00818178 0.01028063
21.21600927 -10.21296560 -6.28066622
-0.00037041 0.00030902 0.00075856
-0.00974296 -0.01285791 0.02747848
23.01553020 -9.95155599 -4.01101308
0.00025651 0.00012106 -0.00115812
-0.05685710 -0.01696783 -0.00354413
4.62372347 -10.41160913 6.71260174
0.00080055 -0.00013265 -0.00067245
0.04185789 0.00239591 -0.01979444
3.40736224 -11.37781617 9.19105325
0.00022210 0.00063136 0.00024276
0.00394459 -0.00117263 0.00058526
-1.96747463 -3.51973329 -20.63659144
-0.00001159 -0.00080780 -0.00024460
-0.00726845 0.00758743 -0.00491848
-2.73983587 -2.04345612 -18.28978416
0.00097012 0.00029965 0.00015939
-0.01582146 0.00033021 0.02573141
0.87692124 4.63771154 -10.63103902
-0.00010020 -0.00021616 -0.00036611
0.00681850 0.01250020 -0.01127976
-0.76003880 3.38940135 -8.90379021
0.00106388 0.00087463 -0.00135605
-0.01744929 -0.01605105 0.04201046
-4.31467873 15.83789320 15.64942014
-0.00054483 0.00030683 0.00021083
0.02043933 0.02594992 0.03406277
-6.68231841 15.12872899 14.44882737
-0.00012555 -0.00034535 -0.00094996
-0.01709945 -0.00315278 -0.00078546
-6.42369313 2.02722556 -5.87061119
0.00040753 -0.00053009 0.00037660
-0.00630127 -0.00538377 0.00222777
-5.35203889 1.82721567 -8.56704557
-0.00150105 0.00100677 -0.00019537
-0.00241152 -0.00574785 -0.01245169
-10.04001574 -0.55906838 -3.59465894
-0.00002388 0.00066410 0.00036586
0.00277083 -0.00935551 -0.00532860
-9.85233600 2.20687944 -2.76875255
0.00027521 -0.00007051 -0.00072348
0.02469528 -0.01143767 -0.03285364
3.54371765 28.97874328 4.94956417
-0.00009342 -0.00074582 -0.00005287
-0.00957492 -0.01379803 -0.00982767
3.00680623 28.04529566 7.45236545
-0.00050871 0.00050725 -0.00059590
-0.00109077 0.00697723 0.05570147
7.86114551 -11.21876551 -1.60731578
0.00055474 -0.00012154 -0.00081170
0.02808610 0.00891750 0.00273110
10.44261290 -11.86380970 -0.13879102
-0.00134636 -0.00090569 -0.00068108
-0.00544841 0.00337215 -0.00034304
-5.27771315 0.04003799 8.84174888
0.00080810 -0.00026624 0.00017471
-0.01477487 -0.00819933 0.00036820
-8.36018734 0.20361701 9.17238812
-0.00050624 -0.00013122 0.00036569
-0.01123178 -0.02456314 -0.00239205
19.75591688 10.55228639 8.74356702
-0.00112295 -0.00071335 0.00008525
0.01755671 0.00304873 -0.02821131
22.05290928 10.78774975 6.64810859
0.00149422 0.00034581 -0.00002288
-0.02125457 0.00304157 0.01735726
-3.04194590 -0.04773797 -22.43682133
-0.00008343 0.00128100 -0.00047617
0.00579123 0.00672435 -0.00779099
-4.90443600 1.64730035 -23.99109618
0.00124786 -0.00006860 0.00000312
0.04865639 -0.01565247 -0.00385383
-12.29482238 9.83033529 9.56700371
0.00049377 0.00002230 0.00016772
-0.00189042 0.00556860 -0.00360559
-13.83722732 9.19719459 7.11738823
-0.00069218 -0.00027975 0.00082617
0.00277180 0.00814459 0.00289307
-14.91485737 4.83897391 -4.52597663
0.00027306 -0.00045614 -0.00045622
0.01972570 0.00228220 0.00639565
-13.61063659 7.47700186 -4.60870447
-0.00007700 -0.00081363 -0.00010978
-0.00241331 -0.01541348 0.01561704
-4.37372092 -16.04061793 20.69522180
-0.00081767 -0.00088448 0.00087085
-0.00693752 -0.00307730 0.00167451
-1.96234170 -16.64169443 19.25910601
-0.00007993 0.00055472 -0.00030622
-0.00146090 0.01138328 0.00944122
-5.78049106 6.20742010 -7.48661964
-0.00037772 0.00048502 -0.00044397
0.01081839 -0.00850615 -0.00374546
-7.26058758 8.42350312 -6.73231760
0.00022610 0.00100165 -0.00001315
-0.00673576 0.01507941 -0.00100964
-20.73170184 28.82201974 1.04814250
0.00053911 -0.00031627 -0.00031314
0.01848381 0.02470172 -0.00945835
-18.00183828 29.52308496 0.16627704
0.00015082 -0.00048490 0.00000107
-0.00646370 0.00012707 0.00848831
9.04573331 2.90171639 6.66686784
-0.00070213 0.00062941 -0.00003933
-0.02855250 -0.02069195 -0.03836691
9.38244576 5.50949606 8.13251258
0.00069586 -0.00111243 0.00072551
-0.00820111 0.01128169 -0.00169829
7.81104705 17.77862589 -12.35611822
0.00037400 -0.00042776 0.00019949
0.00124812 -0.00014813 0.00296240
8.36851564 15.04663415 -12.29714007
0.00013806 -0.00000995 0.00012376
0.01366331 -0.01910943 -0.00376043
12.27421630 6.07319127 -1.16467189
0.00108522 -0.00078256 0.00024033
0.00835415 -0.00889970 0.00018559
13.40811237 3.77588298 0.31926277
-0.00078408 0.00011876 0.00073006
0.00094191 -0.00191065 0.00775583
-4.62410766 10.48204562 -2.07150227
0.00073627 -0.00006005 -0.00103543
-0.00040938 0.00443831 0.00592161
-7.02801229 10.93591145 -0.28564063
-0.00045946 0.00081623 0.00070493
0.02132121 0.01087890 -0.02369180
7.66628580 14.38571136 5.20004154
0.00052956 0.00111705 0.00035678
-0.00098534 -0.01817003 0.00075848
9.32896978 11.93968589 4.51901918
0.00003328 -0.00012445 0.00038351
-0.03802098 0.01079136 0.01394898
19.95068229 -13.07067072 -8.77788872
-0.00032933 0.00055809 -0.00010709
0.01233618 0.02247320 -0.00497763
22.70161689 -12.84853886 -9.82246960
-0.00063950 -0.00105440 -0.00128645
-0.01780972 0.01625362 0.00639322
19.46587359 -4.87790086 -2.40927520
-0.00072352 0.00040834 -0.00000150
-0.00568606 -0.00912998 0.00693528
18.43330195 -7.21881097 -0.65318565
0.00069851 -0.00066210 0.00105916
0.01641005 0.02315937 -0.00963566
13.84637400 9.25511479 9.34904013
-0.00002483 -0.00083523 0.00021385
0.00576280 -0.00220569 0.00139468
15.74593444 7.54671488 10.71817771
0.00114698 -0.00014720 0.00058456
0.00334815 0.00065948 0.02308509
3.16130802 -15.22486402 17.22795699
0.00037347 0.00036204 -0.00074045
-0.01694645 -0.00290332 0.01950999
3.28938774 -12.15124123 16.99281277
0.00047604 0.00017768 -0.00054989
-0.00198052 -0.01167077 0.00876213
-2.75938826 -3.74655539 -12.62835204
-0.00000485 -0.00003542 -0.00043970
0.00003664 -0.02004000 0.00929234
-0.81910342 -2.05790526 -14.11537679
0.00012171 -0.00029468 -0.00016382
-0.02010726 -0.00016546 0.01911295
15.70254301 -7.68272009 -15.03883718
-0.00016519 -0.00078801 -0.00010593
-0.00277367 0.00074759 0.02159346
17.07441440 -8.07143651 -12.44379081
-0.00006388 0.00063743 -0.00052193
-0.02536174 0.00871478 -0.00519311
8.43593023 -3.14973771 5.47115988
0.00121294 -0.00010748 -0.00108530
0.02965379 -0.01858405 0.01209808
11.13855685 -4.56890579 5.30483351
0.00102613 0.00018042 -0.00065075
-0.01206940 0.01196057 0.00224808
-20.66316483 -0.07280253 24.90199137
0.00001232 -0.00093429 -0.00079790
0.01192638 0.03491542 0.00366832
-19.77226942 2.68467639 26.06923078
-0.00059651 -0.00037843 -0.00025122
-0.00953366 0.00425548 0.01277322
25.08582838 -2.56755946 -7.42713875
0.00012516 -0.00011576 0.00079638
-0.01618509 0.02497821 0.00026334
23.80240574 -0.50334867 -9.15674744
0.00052632 0.00105785 -0.00025069
0.00543548 -0.01016845 0.01373103
12.36076399 -10.84094270 -9.75647795
0.00076312 0.00011649 -0.00096703
-0.00574954 0.01469124 -0.00486505
12.87753606 -9.01482171 -12.03298000
0.00025124 0.00073004 0.00072597
0.01636670 0.00928653 -0.00538558
-7.42711005 -10.69621810 17.23800971
-0.00050661 0.00048007 -0.00090885
-0.02896660 0.00857042 -0.01595838
-10.18061279 -9.87582899 17.47246081
-0.00086695 0.00066271 -0.00057919
-0.00154568 -0.00806717 -0.00463437
8.32269758 1.29394890 -29.33235727
0.00039877 0.00078927 0.00055123
0.01180966 0.00516203 -0.01446534
5.48416570 0.94318929 -28.45585116
-0.00037712 -0.00003037 -0.00039909
0.00181866 -0.00259818 -0.00480181
13.85476846 19.36136877 13.70965632
-0.00128569 -0.00013070 -0.00014570
-0.02032174 -0.00795460 -0.00836756
13.71018967 17.66671039 11.43952481
-0.00016217 -0.00002843 0.00056322
-0.00752235 -0.00147222 -0.00141229
27.79869548 7.82901905 -11.72528430
0.00042637 0.00005985 -0.00079178
-0.00096057 -0.00140549 0.00557413
26.25157171 7.73024870 -9.13535296
0.00015206 0.00026225 -0.00013319
0.00164678 0.00187410 -0.01419989
-7.78774784 4.72774702 6.22061521
0.00006822 -0.00001487 0.00013967
-0.00311352 -0.00320320 0.00076137
-10.15071362 9.06937209 3.18032368
0.00033649 -0.00011847 0.00027566
0.00301184 -0.00078791 0.00207537
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.07588044
0.31317343
417.28789589
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0598110465
ExchangeOperator: pair fraction: ispin=0: 0.1490751758
ExchangeOperator: bisection time: 1.256 s
total exchange = -52.3032057325 (a.u.)
total exchange computation time: 2.8476610184 s
-153.8682338344
-931.38745577
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0598110465
ExchangeOperator: pair fraction: ispin=0: 0.1490751758
ExchangeOperator: bisection time: 1.257 s
total exchange = -52.3035068518 (a.u.)
total exchange computation time: 2.8471820354 s
-153.8664476748
Anderson extrapolation: theta=1.3683346229 (1.3683346229)
-931.38767876
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0598110465
ExchangeOperator: pair fraction: ispin=0: 0.1490751758
ExchangeOperator: bisection time: 1.257 s
total exchange = -52.3038666703 (a.u.)
total exchange computation time: 2.8474361897 s
-153.8643514624
Anderson extrapolation: theta=0.0584872347 (0.0584872347)
-931.38781575
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0598110465
ExchangeOperator: pair fraction: ispin=0: 0.1490751758
ExchangeOperator: bisection time: 1.258 s
total exchange = -52.3038405075 (a.u.)
total exchange computation time: 2.8468711376 s
-153.8645888731
Anderson extrapolation: theta=2.1241108704 (2.0000000000)
-931.38782200
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0598110465
ExchangeOperator: pair fraction: ispin=0: 0.1490751758
ExchangeOperator: bisection time: 1.255 s
total exchange = -52.3037682412 (a.u.)
total exchange computation time: 2.8468551636 s
-153.8651636553
Anderson extrapolation: theta=0.2996134759 (0.2996134759)
-931.38782959
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0598110465
ExchangeOperator: pair fraction: ispin=0: 0.1490751758
ExchangeOperator: bisection time: 1.254 s
total exchange = -52.3037410404 (a.u.)
total exchange computation time: 2.8473830223 s
-153.8653294684
Anderson extrapolation: theta=1.4501931742 (1.4501931742)
-931.38783139
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0598110465
ExchangeOperator: pair fraction: ispin=0: 0.1490751758
ExchangeOperator: bisection time: 1.255 s
total exchange = -52.3037128372 (a.u.)
total exchange computation time: 2.8468241692 s
-153.8654466220
Anderson extrapolation: theta=0.3728214856 (0.3728214856)
-931.38783320
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0598110465
ExchangeOperator: pair fraction: ispin=0: 0.1490751758
ExchangeOperator: bisection time: 1.254 s
total exchange = -52.3037150230 (a.u.)
total exchange computation time: 2.8473839760 s
-153.8653681802
Anderson extrapolation: theta=1.0256646876 (1.0256646876)
-931.38783374
21.581180 27.454843 -165.864756
559.376468 1075.031418 -408.489564
580.957649 1102.486261 -574.354320
1372.177332
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0598110465
ExchangeOperator: pair fraction: ispin=0: 0.1490751758
ExchangeOperator: bisection time: 1.255 s
total exchange = -52.3037270773 (a.u.)
total exchange computation time: 2.8519070148 s
677.78009378
-1081.74972794
89.89896448
-390.39903047
-174.61440684
77.13695943
551.60419304
0.00000000
-931.38783407
4.53627103 -31.10927759 -3.49133141
-0.00005130 -0.00024481 -0.00005250
0.00451140 -0.00606856 -0.02095284
-11.58282583 2.16003534 -9.20361266
0.00029072 0.00008650 0.00014499
0.03308653 0.01424615 -0.00294586
-36.16777531 1.42259455 3.27892944
0.00001438 0.00010789 0.00033814
-0.05492175 0.02583837 -0.00068017
-7.34761682 -3.45108498 2.65662231
0.00006913 0.00001838 0.00003396
0.00276535 0.00034713 0.00981429
2.25015773 -0.06613316 9.10542730
-0.00006958 -0.00019318 0.00018154
-0.02531708 0.01915877 0.02402166
-31.10115236 1.65177466 2.54476942
-0.00009342 0.00015038 0.00006420
0.03081225 -0.02898249 0.02167772
16.76037548 13.14520878 -18.47576234
-0.00009512 0.00019972 -0.00036430
0.03828233 0.01015476 0.02248365
-3.45931193 5.03863770 5.42005763
0.00006092 -0.00006936 -0.00030982
0.00928519 -0.00639248 -0.02252863
5.60690461 17.04710246 -7.10591949
-0.00018262 0.00009404 0.00000780
-0.01879789 -0.02157875 -0.02003790
7.30878821 5.85759804 -20.81205221
0.00029927 0.00027708 -0.00007536
-0.00044987 0.00643070 0.02137144
18.65072059 19.52450975 -5.24503851
0.00007156 -0.00017287 -0.00019961
-0.00815489 0.01974500 0.03008669
1.98376080 14.20132949 -21.26117933
-0.00011047 0.00032405 -0.00014285
-0.01880531 0.01369037 -0.01465629
10.60531451 -5.30019250 0.42234913
0.00009308 -0.00000131 0.00000267
-0.04240681 0.02492296 -0.00766031
-17.61153956 -4.51864301 5.35085642
0.00042822 -0.00058800 -0.00004922
-0.00286070 0.01188587 -0.01615252
-14.32638078 -1.28907393 20.74512880
-0.00007759 0.00009027 0.00024379
-0.00247945 -0.00221353 -0.01541832
1.61719650 3.71878682 -4.09502443
0.00007385 0.00003368 -0.00022154
-0.00202117 -0.00126239 0.00408242
21.16348833 -10.56407262 -4.40303146
-0.00007783 0.00018197 0.00011556
0.06685751 0.03472421 -0.01517756
3.10798378 -10.59339642 7.57374171
-0.00009374 -0.00022486 -0.00030134
-0.04049611 -0.00019007 0.01178522
-2.03509758 -1.79936219 -19.89985965
-0.00012809 -0.00005469 -0.00026722
0.02591094 -0.01013180 -0.02018164
-0.75808074 3.83569994 -10.60136711
-0.00034743 0.00022645 -0.00005448
0.01399808 0.01344559 -0.04347516
-4.91391656 14.82540596 14.35871826
0.00009976 0.00026395 -0.00020739
-0.00256936 -0.02117842 -0.03430033
-5.23181532 2.78661342 -7.04237328
0.00022832 0.00004105 0.00024725
0.00218215 0.01017605 0.00651114
-9.15563770 0.94965537 -4.08398762
0.00013791 0.00004876 -0.00010570
-0.01676260 0.01133910 0.02337295
2.84544482 27.49118503 5.81161904
0.00004198 0.00017628 0.00006315
0.00703117 0.00619126 -0.04645893
9.68941156 -10.80663750 -1.45821310
-0.00042164 0.00009508 -0.00001178
-0.02230702 0.00008036 -0.00800513
-6.78808683 1.02955846 9.25028709
-0.00004545 0.00012552 -0.00005175
0.02613535 0.02823581 0.00273589
20.17035539 10.71077810 6.90239970
-0.00020822 -0.00021760 -0.00001494
0.01635895 -0.00589296 0.01095473
-3.06192189 1.00143500 -24.00469483
-0.00017484 -0.00014746 -0.00006710
-0.05152755 0.01085089 0.00584807
-13.47552051 8.60333211 8.80319519
0.00007083 -0.00036962 0.00009988
-0.00911731 -0.01327196 0.00779780
-13.69737672 5.91448882 -3.59496637
-0.00020347 -0.00008696 -0.00031365
-0.01475018 0.00810689 -0.01652128
-2.65667903 -15.50270603 20.54675909
-0.00040727 -0.00011555 0.00003238
-0.00216156 -0.00681287 -0.00499762
-5.88282096 8.01075805 -7.84298545
0.00018848 0.00011694 0.00016085
0.00042479 -0.01283891 -0.00033467
-19.52951651 30.25932964 0.85926265
0.00006846 -0.00001521 -0.00002612
-0.01881314 -0.01832846 0.00399629
9.90061735 3.77660033 7.90758739
0.00018297 -0.00000835 -0.00000302
0.04447589 -0.00391099 0.03957354
7.26527408 16.23526344 -11.54578463
-0.00003961 0.00024188 0.00000603
-0.01096627 0.00813010 -0.00082672
13.46117394 4.67120299 -1.28602322
-0.00020565 -0.00023413 -0.00012145
0.00242074 0.01394642 0.00119937
-5.92408157 11.71683545 -1.60924224
0.00026932 0.00008545 0.00058836
-0.00941526 -0.01753961 0.01045409
7.61700454 12.51575322 5.26752026
-0.00019360 -0.00013187 -0.00004282
0.04460371 0.01883252 -0.02020384
21.20528898 -11.78874038 -9.36823327
-0.00070146 0.00023653 0.00015537
0.00684582 -0.03874941 -0.01438971
19.63766777 -5.74388582 -0.75910821
-0.00022142 0.00015851 0.00035192
-0.00960790 -0.01855973 -0.00344192
15.18677148 8.02195410 9.08998787
0.00041424 0.00003646 0.00037192
-0.00500682 0.00037572 -0.02061109
3.79330976 -13.79262310 16.36020650
-0.00008777 -0.00018998 -0.00004598
0.02522374 0.01280598 -0.03775138
-2.59194261 -2.19963818 -13.49437090
-0.00006238 0.00019575 0.00015427
0.01844023 0.02078331 -0.02665752
15.46145872 -7.43152044 -13.17200199
-0.00003725 -0.00002924 -0.00002209
0.02729025 -0.00638076 -0.02185604
9.88407148 -3.87058169 6.46278023
0.00004966 -0.00009152 -0.00018694
-0.00973358 0.00398552 -0.01807784
-19.45869215 1.39356997 24.83923118
-0.00006179 -0.00008754 -0.00000035
-0.00537360 -0.04732135 -0.02053374
23.97673410 -0.99380113 -7.36893671
-0.00027252 0.00017378 -0.00009071
0.01893816 -0.01746283 -0.01939751
11.67544128 -10.20306790 -11.37055315
0.00006690 0.00028426 0.00006512
-0.00924067 -0.02157710 0.01618588
-9.05288207 -10.59734137 16.20425756
-0.00020831 0.00019712 -0.00023764
0.01892718 0.00280759 0.02226351
7.14233728 1.53694942 -27.96587452
0.00022890 -0.00018268 -0.00009381
-0.02928073 -0.00606364 0.02271831
12.59977258 18.42220184 12.68239401
0.00021781 -0.00032314 -0.00028394
0.02076536 0.00916016 0.01164184
26.10327033 7.54205537 -11.01989177
0.00013698 -0.00003272 0.00024607
0.00486731 0.00107910 0.01175158
4.93185426 -29.78197642 -4.71645476
-0.00035822 0.00020596 0.00024732
0.00024102 -0.00225175 -0.00356340
3.84356860 -30.25170437 -2.06744188
-0.00007734 -0.00104832 0.00049155
-0.00642023 0.00471261 0.02211486
-9.88027703 2.76025060 -8.61525651
-0.00049830 0.00037645 -0.00005402
-0.03482867 -0.01298514 -0.01066423
-11.76042710 2.67760784 -10.98336160
0.00016715 0.00037324 0.00025674
0.00063580 -0.00210970 0.00788368
-36.64783565 3.33566966 2.79773523
0.00067596 -0.00057731 -0.00099962
0.01615681 -0.03762993 -0.00007121
-37.95600424 0.74798298 3.41599729
-0.00115507 0.00036046 -0.00089054
0.03042736 0.01032367 -0.00094384
-8.91658041 -3.85582864 1.81536758
0.00019169 0.00008502 0.00102783
-0.00849862 -0.00593867 -0.00958919
-6.60010810 -5.10375456 2.89396929
-0.00046963 -0.00031314 -0.00000266
0.00338968 0.00112840 -0.00018863
3.06359832 -0.10839638 7.53104618
0.00103109 -0.00017949 -0.00049618
0.01647375 0.00042665 -0.02402345
1.31595496 1.56256617 9.20740279
-0.00079583 -0.00085938 -0.00000865
0.00879060 -0.02201209 -0.00236459
-30.13727486 0.07649699 2.99770168
-0.00043605 0.00007726 -0.00006761
-0.00326279 0.02107594 -0.01220198
-32.77275690 1.02036209 2.80156902
0.00060655 0.00091114 -0.00014255
-0.02511575 0.00396204 0.00047650
15.79090454 11.62348215 -18.51779989
-0.00092484 -0.00130392 -0.00006201
-0.00986056 -0.01015307 0.00053691
18.41806216 12.58242444 -17.66096800
0.00012520 -0.00002568 -0.00007374
-0.03179197 0.00526262 -0.01006802
-2.88291738 6.59411908 6.18325758
-0.00007166 -0.00028683 0.00001904
0.00221362 0.00521212 -0.00232938
-2.60117096 4.92623128 3.76768080
0.00005325 -0.00045685 0.00076862
-0.00992467 0.00429995 0.02101584
6.64251554 16.44139774 -8.57867748
0.00121491 -0.00007931 -0.00030971
-0.01531253 0.00555428 -0.00124858
6.81834578 17.84394262 -6.12904420
-0.00112433 -0.00107938 0.00072694
0.02870677 0.02339525 0.02880531
7.56700279 5.63922486 -22.61528727
-0.00101193 0.00070415 0.00062440
0.01303861 0.00660411 -0.01219659
8.44116766 7.18666227 -20.15200473
-0.00068502 0.00027675 0.00178648
-0.00186264 -0.01011903 -0.01070045
18.85729270 21.18378925 -4.18727694
-0.00109514 0.00014664 0.00091626
0.00042907 -0.03337534 -0.02125513
19.61643967 19.64905616 -6.75820949
0.00088010 -0.00034928 -0.00043399
0.01163449 0.00730353 -0.00378757
1.43244100 12.48078017 -21.35030804
0.00098990 0.00017718 -0.00078358
0.00907205 -0.01887976 0.00790416
0.53922456 14.92595209 -22.21365572
-0.00017530 0.00053958 0.00084620
0.00625378 0.00834340 0.01005583
9.81851672 -6.95930647 0.46157523
-0.00000264 -0.00018021 0.00061788
0.00567895 0.00113455 -0.00560077
9.17888788 -4.06779351 -0.13800462
-0.00005186 0.00015875 0.00074965
0.03666390 -0.02529509 0.00665819
-18.18647993 -5.70790015 6.56451769
0.00047441 -0.00021671 -0.00000323
-0.00313143 -0.01128341 0.01620271
-18.70653022 -4.84534027 3.91917019
0.00074951 0.00066574 0.00013034
0.00425234 -0.00251922 -0.00112371
-14.58647699 -0.27681492 19.17983845
-0.00047507 -0.00010385 -0.00128545
0.00191140 -0.00495698 0.01048254
-14.68163755 -0.20737724 22.16147211
-0.00027528 -0.00007291 0.00006708
0.00249356 0.00646340 0.00320492
0.95024605 2.46032509 -2.91494755
-0.00035028 -0.00092525 -0.00074909
0.00338480 0.00766678 -0.00939777
1.72287671 2.87561024 -5.70662180
-0.00074218 0.00023881 0.00016620
-0.00091417 -0.00937240 0.00638302
21.21015450 -10.20872426 -6.26844578
-0.00041155 0.00025742 0.00086284
-0.01039503 -0.01240375 0.02356853
23.01763563 -9.95026002 -4.02849346
0.00002480 0.00005181 -0.00116944
-0.05656970 -0.01693028 -0.00199780
4.63701442 -10.41352547 6.70190836
0.00095438 -0.00012465 -0.00074379
0.03344102 0.00151980 -0.01512713
3.41081460 -11.36838177 9.19471264
0.00023751 0.00062752 0.00024291
0.00359699 -0.00070294 -0.00051528
-1.96787126 -3.53161782 -20.64041111
-0.00004245 -0.00076954 -0.00026180
-0.00783721 0.01114083 -0.00350402
-2.72576889 -2.03895123 -18.28660485
0.00090565 0.00030048 0.00026518
-0.01573853 0.00007650 0.02605510
0.87562713 4.63485224 -10.63687627
-0.00007278 -0.00016459 -0.00041486
0.00660667 0.01274082 -0.01258343
-0.74461528 3.40202899 -8.92284367
0.00099082 0.00080068 -0.00115607
-0.01831266 -0.02014889 0.05588483
-4.32222487 15.84329078 15.65362643
-0.00046394 0.00041098 0.00034733
0.01915937 0.02503320 0.03275176
-6.68472567 15.12345209 14.43455397
-0.00019287 -0.00035818 -0.00095274
-0.01585450 -0.00312825 -0.00057974
-6.41777322 2.01910917 -5.86489400
0.00038375 -0.00054987 0.00038386
-0.00534131 -0.00429841 0.00133075
-5.37462853 1.84214116 -8.57035764
-0.00151014 0.00098334 -0.00024670
-0.00203727 -0.00572443 -0.01267351
-10.04028901 -0.54939357 -3.58933426
-0.00001472 0.00062095 0.00034495
0.00171465 -0.01176892 -0.00491035
-9.84745112 2.20547130 -2.78061152
0.00037429 -0.00011291 -0.00085350
0.02380381 -0.00931512 -0.03079033
3.54202289 28.96713322 4.94846995
-0.00012857 -0.00079379 -0.00009800
-0.00763076 -0.00968379 -0.01226143
2.99914214 28.05311819 7.44513386
-0.00051301 0.00053914 -0.00035903
-0.00101502 0.00863471 0.06024478
7.87032721 -11.22031533 -1.61940760
0.00065767 -0.00008684 -0.00080199
0.02230064 0.00807014 0.00202112
10.42225053 -11.87729175 -0.14901775
-0.00136546 -0.00089322 -0.00068029
-0.00389881 0.00273133 0.00073122
-5.26604442 0.03579318 8.84438085
0.00073825 -0.00029427 0.00017872
-0.01941736 -0.00552197 0.00159275
-8.36812515 0.20089605 9.17780013
-0.00054301 -0.00022741 0.00035637
-0.00676431 -0.02252166 -0.00216821
19.73961056 10.54167949 8.74398128
-0.00104910 -0.00070001 -0.00003297
0.01859435 0.00348289 -0.02965958
22.07467131 10.79303012 6.64829721
0.00138965 0.00035709 0.00005155
-0.02993180 0.00247808 0.01907807
-3.04301983 -0.02831686 -22.44420256
-0.00005865 0.00129936 -0.00049657
0.00633510 0.00226148 -0.00219873
-4.88422717 1.64579172 -23.99116750
0.00143291 -0.00012719 -0.00001320
0.04192831 -0.01302667 -0.00413385
-12.28747377 9.83084041 9.56940896
0.00048119 0.00004086 0.00015002
-0.00426792 0.00351755 -0.00505808
-13.84752504 9.19324797 7.12986948
-0.00068199 -0.00024400 0.00083049
0.00221521 0.00935347 -0.00078131
-14.91015704 4.83220168 -4.53262394
0.00035300 -0.00044695 -0.00043001
0.01940853 0.00221656 0.00643351
-13.61186554 7.46432504 -4.60987263
-0.00008636 -0.00086789 -0.00005180
-0.00216642 -0.01114642 0.01276479
-4.38619851 -16.05397948 20.70833580
-0.00083462 -0.00089389 0.00087566
-0.00135945 -0.00152713 0.00068408
-1.96358536 -16.63302478 19.25480208
-0.00008666 0.00060006 -0.00026832
-0.00183577 0.01080832 0.00910941
-5.78582539 6.21443480 -7.49339395
-0.00033370 0.00044373 -0.00045646
0.01073246 -0.01170944 -0.00236959
-7.25740243 8.43898992 -6.73254577
0.00019983 0.00106155 -0.00001812
-0.00612360 0.01424421 -0.00142579
-20.72304877 28.81803264 1.04315563
0.00061181 -0.00021618 -0.00035090
0.01710139 0.02429140 -0.00902565
-17.99977412 29.51581530 0.16655319
0.00012207 -0.00048161 0.00003688
-0.00760758 0.00148684 0.00904045
9.03432636 2.91052348 6.66510227
-0.00081674 0.00054722 -0.00019244
-0.02755013 -0.01954128 -0.03658546
9.39263234 5.49315524 8.14334325
0.00065739 -0.00105037 0.00072036
-0.01063212 0.01909856 -0.00082372
7.81669536 17.77220489 -12.35303507
0.00038111 -0.00042030 0.00020810
0.00222986 0.00380031 0.00125082
8.37100528 15.04589936 -12.29539897
0.00019072 -0.00008546 0.00011081
0.01211164 -0.01785637 -0.00257777
12.29075058 6.06118017 -1.16106122
0.00110666 -0.00080323 0.00024075
0.00214242 -0.00122061 0.00001998
13.39638003 3.77760577 0.33045134
-0.00077840 0.00011344 0.00075320
0.00184035 -0.00068968 0.00356994
-4.61307623 10.48128087 -2.08685221
0.00072494 -0.00003607 -0.00100574
-0.00513274 0.00730141 0.00861160
-7.03425085 10.94848825 -0.27579269
-0.00036890 0.00085882 0.00060609
0.02301022 0.00996827 -0.02469139
7.67419896 14.40191034 5.20541644
0.00052450 0.00102735 0.00036035
-0.00149149 -0.02574006 0.00099154
9.32830394 11.93814978 4.52519923
-0.00012168 -0.00008095 0.00044004
-0.03783624 0.01050343 0.01372183
19.94612030 -13.06161067 -8.77964755
-0.00028435 0.00064517 -0.00012469
0.00968395 0.02015016 -0.00363828
22.69147857 -12.86385683 -9.84157040
-0.00072211 -0.00097947 -0.00125658
-0.02262361 0.02042666 0.00822799
19.45484655 -4.87205550 -2.40908519
-0.00074637 0.00036776 0.00003150
-0.00550002 -0.01073427 0.00921726
18.44428239 -7.22803282 -0.63759354
0.00076441 -0.00056662 0.00101847
0.01584987 0.02357896 -0.01027899
13.84617809 9.24251873 9.35229068
-0.00000379 -0.00084129 0.00022083
0.00453648 -0.00076203 0.00201987
15.76324175 7.54452702 10.72765344
0.00115700 -0.00014133 0.00067094
0.00155775 0.00221469 0.01920265
3.16639079 -15.21952239 17.21744807
0.00029824 0.00033818 -0.00065225
-0.01988022 -0.00877390 0.02366496
3.29646761 -12.14893361 16.98483286
0.00046762 0.00012934 -0.00051319
-0.00214025 -0.01199592 0.00920370
-2.75945984 -3.74770084 -12.63466282
-0.00000559 -0.00011834 -0.00040103
-0.00040223 -0.02055004 0.00963554
-0.81789390 -2.06233052 -14.11724845
0.00003731 -0.00029466 -0.00008514
-0.02120718 0.00017676 0.01940511
15.69998017 -7.69451731 -15.03976451
-0.00017721 -0.00078416 -0.00001694
-0.00310866 0.00113405 0.02197067
17.07267906 -8.06160800 -12.45177896
-0.00016203 0.00067053 -0.00053981
-0.02268600 0.00748720 -0.00355770
8.45503300 -3.15191934 5.45525117
0.00132835 -0.00018029 -0.00103729
0.02684191 -0.01705883 0.01139895
11.15357899 -4.56583292 5.29514114
0.00096979 0.00023311 -0.00063318
-0.01550971 0.01383031 0.00635511
-20.66261452 -0.08574702 24.89013523
0.00006388 -0.00078649 -0.00078223
0.01330946 0.03743738 0.00400157
-19.78150929 2.67913037 26.06585396
-0.00063676 -0.00035838 -0.00019591
-0.01016756 0.00555562 0.01429890
25.08720985 -2.56853052 -7.41518499
0.00005646 -0.00001014 0.00079512
-0.01744576 0.02672482 -0.00088084
23.81046709 -0.48779247 -9.16008707
0.00054939 0.00101325 -0.00019101
0.00585712 -0.01166521 0.01548582
12.37203454 -10.83874522 -9.77113254
0.00074101 0.00017279 -0.00097918
-0.00507304 0.01287061 -0.00107813
12.88180613 -9.00358652 -12.02225553
0.00031567 0.00076598 0.00070307
0.01517553 0.00830488 -0.00582486
-7.43559679 -10.68875447 17.22388790
-0.00061978 0.00051519 -0.00096918
-0.02643239 0.00862402 -0.01357456
-10.19366443 -9.86613548 17.46363094
-0.00086866 0.00062735 -0.00060079
0.00070981 -0.00924302 -0.00593788
8.32904094 1.30594619 -29.32453203
0.00045079 0.00080843 0.00048598
0.01365781 0.00421429 -0.01747689
5.47856467 0.94265412 -28.46198463
-0.00036070 -0.00003787 -0.00041712
0.00621854 -0.00107449 -0.00402386
13.83486043 19.35916455 13.70721444
-0.00136032 -0.00015783 -0.00017415
-0.01621320 -0.00532750 -0.00555900
13.70752656 17.66623878 11.44792983
-0.00018385 -0.00003977 0.00054811
-0.00308739 -0.00407749 -0.00598548
27.80506157 7.82987371 -11.73699018
0.00041498 0.00005295 -0.00076451
-0.00461275 -0.00196902 0.00777220
26.25390303 7.73423984 -9.13778588
0.00015995 0.00027017 -0.00018736
0.00221701 0.00200300 -0.01231868
-7.78673296 4.72751540 6.22271233
0.00006712 -0.00001601 0.00013995
-0.00300011 -0.00319263 0.00079912
-10.14566102 9.06759361 3.18446226
0.00033717 -0.00011865 0.00027614
0.00283824 -0.00075895 0.00204789
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.07567856
0.31215552
415.93157820
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0603924419
ExchangeOperator: pair fraction: ispin=0: 0.1511087074
ExchangeOperator: bisection time: 1.256 s
total exchange = -52.3073691319 (a.u.)
total exchange computation time: 2.8816759586 s
-153.8871848459
-931.38631647
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0603924419
ExchangeOperator: pair fraction: ispin=0: 0.1511087074
ExchangeOperator: bisection time: 1.255 s
total exchange = -52.3076057593 (a.u.)
total exchange computation time: 2.8820750713 s
-153.8859661061
Anderson extrapolation: theta=1.3634425575 (1.3634425575)
-931.38653734
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0603924419
ExchangeOperator: pair fraction: ispin=0: 0.1511087074
ExchangeOperator: bisection time: 1.255 s
total exchange = -52.3078515310 (a.u.)
total exchange computation time: 2.8811380863 s
-153.8847921909
Anderson extrapolation: theta=0.0573203725 (0.0573203725)
-931.38667211
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0603924419
ExchangeOperator: pair fraction: ispin=0: 0.1511087074
ExchangeOperator: bisection time: 1.257 s
total exchange = -52.3077972119 (a.u.)
total exchange computation time: 2.8814251423 s
-153.8852028307
Anderson extrapolation: theta=2.0910166649 (2.0000000000)
-931.38667809
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0603924419
ExchangeOperator: pair fraction: ispin=0: 0.1511087074
ExchangeOperator: bisection time: 1.255 s
total exchange = -52.3076555602 (a.u.)
total exchange computation time: 2.8820929527 s
-153.8861955619
Anderson extrapolation: theta=0.2836120672 (0.2836120672)
-931.38668530
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0603924419
ExchangeOperator: pair fraction: ispin=0: 0.1511087074
ExchangeOperator: bisection time: 1.256 s
total exchange = -52.3075996658 (a.u.)
total exchange computation time: 2.8803591728 s
-153.8865264668
Anderson extrapolation: theta=1.5501973004 (1.5501973004)
-931.38668696
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0603924419
ExchangeOperator: pair fraction: ispin=0: 0.1511087074
ExchangeOperator: bisection time: 1.257 s
total exchange = -52.3075202563 (a.u.)
total exchange computation time: 2.8824880123 s
-153.8869349330
Anderson extrapolation: theta=0.3511854584 (0.3511854584)
-931.38668874
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0603924419
ExchangeOperator: pair fraction: ispin=0: 0.1511087074
ExchangeOperator: bisection time: 1.255 s
total exchange = -52.3075029179 (a.u.)
total exchange computation time: 2.8805019855 s
-153.8869640866
Anderson extrapolation: theta=1.0938726417 (1.0938726417)
-931.38668923
21.665414 27.449070 -165.872834
559.336428 1075.038068 -408.555709
581.001842 1102.487138 -574.428543
1372.227817
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0603924419
ExchangeOperator: pair fraction: ispin=0: 0.1511087074
ExchangeOperator: bisection time: 1.257 s
total exchange = -52.3074936144 (a.u.)
total exchange computation time: 2.8748497963 s
677.84315034
-1081.87610551
89.88890847
-390.31086871
-174.62428053
77.20951062
551.60419304
0.00000000
-931.38668955
4.53551888 -31.11297317 -3.49219979
-0.00004902 -0.00024782 -0.00006324
0.00435723 -0.00562063 -0.02081002
-11.57833748 2.16138781 -9.20144913
0.00030673 0.00009353 0.00014311
0.02917260 0.01307819 -0.00437985
-36.16777150 1.42431256 3.28399886
-0.00001481 0.00012045 0.00033765
-0.05856005 0.02301374 -0.00120657
-7.34656927 -3.45080789 2.65716951
0.00007138 0.00001855 0.00003950
0.00599870 0.00030536 0.01173363
2.24901634 -0.06895701 9.10824313
-0.00008117 -0.00018395 0.00019153
-0.01974046 0.01675484 0.01479809
-31.10243485 1.65391857 2.54581607
-0.00007604 0.00013631 0.00007505
0.03677509 -0.02572753 0.02049565
16.75909638 13.14824378 -18.48114005
-0.00007705 0.00020197 -0.00035257
0.03197718 -0.00142226 0.02309998
-3.45836236 5.03757270 5.41532347
0.00006482 -0.00007271 -0.00031988
0.00589187 -0.00664091 -0.01658250
5.60409277 17.04842989 -7.10587986
-0.00019266 0.00008174 -0.00000464
-0.02022898 -0.02626764 -0.02833003
7.31327552 5.86177909 -20.81310023
0.00029857 0.00028036 -0.00006246
-0.00228115 0.00632036 0.02882383
18.65176251 19.52199287 -5.24791666
0.00006787 -0.00016237 -0.00018474
-0.00619002 0.02107175 0.02776338
1.98203116 14.20624303 -21.26337862
-0.00011947 0.00033110 -0.00014999
-0.01618551 0.01372452 -0.01311125
10.60654711 -5.30011606 0.42235958
0.00007125 0.00001106 -0.00000108
-0.04248075 0.02320024 -0.00690865
-17.60512735 -4.52741721 5.35005574
0.00042766 -0.00058127 -0.00005696
0.00068831 0.01430918 -0.01392225
-14.32755413 -1.28772848 20.74872617
-0.00007895 0.00008954 0.00023419
-0.00284548 -0.00059273 -0.02189395
1.61829647 3.71928718 -4.09833185
0.00007237 0.00003262 -0.00021808
-0.00374473 -0.00285086 0.00937840
21.16257884 -10.56120911 -4.40135661
-0.00004364 0.00019956 0.00010855
0.06606710 0.03367291 -0.01206987
3.10642140 -10.59676999 7.56926710
-0.00011214 -0.00022483 -0.00029634
-0.03105507 0.00027317 0.00765240
-2.03691896 -1.80022160 -19.90394582
-0.00011478 -0.00006063 -0.00027767
0.02583795 -0.01295880 -0.02045322
-0.76323822 3.83914858 -10.60235200
-0.00033998 0.00023422 -0.00007959
0.01499243 0.01675468 -0.05418704
-4.91243001 14.82928352 14.35547514
0.00009848 0.00025361 -0.00022434
-0.00242089 -0.01902819 -0.03162582
-5.22838212 2.78726849 -7.03863935
0.00022908 0.00004589 0.00025067
0.00076916 0.00862433 0.00678055
-9.15363369 0.95043057 -4.08548291
0.00012981 0.00005439 -0.00009446
-0.01472627 0.01052567 0.02032475
2.84610160 27.49385305 5.81238704
0.00004507 0.00017802 0.00003942
0.00500720 0.00060623 -0.04581380
9.68300094 -10.80521097 -1.45842069
-0.00043174 0.00009554 -0.00001590
-0.01695615 0.00168747 -0.00801067
-6.78866777 1.03155016 9.24952135
-0.00003223 0.00013879 -0.00005067
0.02525948 0.02336796 0.00149493
20.16729523 10.70749132 6.90221782
-0.00019810 -0.00022053 -0.00000948
0.02297159 -0.00550202 0.01028409
-3.06474327 0.99926491 -24.00567873
-0.00019941 -0.00014159 -0.00006561
-0.04399220 0.01199468 -0.00004856
-13.47449318 8.59773665 8.80472340
0.00006691 -0.00037608 0.00010521
-0.00614919 -0.01185979 0.01293963
-13.70048565 5.91321575 -3.59973486
-0.00021098 -0.00008392 -0.00032126
-0.01446389 0.00370374 -0.01305999
-2.66279639 -15.50446561 20.54722556
-0.00040972 -0.00011921 0.00003020
-0.00735299 -0.00740957 -0.00351089
-5.87999209 8.01246269 -7.84057399
0.00018851 0.00011132 0.00016054
-0.00033408 -0.00902321 -0.00087541
-19.52856212 30.25903083 0.85888630
0.00005949 -0.00002465 -0.00002432
-0.01608490 -0.01840652 0.00297773
9.90353351 3.77645993 7.90769471
0.00020583 -0.00001294 0.00001613
0.04442241 -0.01390206 0.03491172
7.26463758 16.23892302 -11.54569735
-0.00004498 0.00024458 0.00000572
-0.00990370 0.00236532 -0.00037511
13.45809856 4.66774490 -1.28784028
-0.00020289 -0.00022932 -0.00011976
0.00830987 0.00473396 0.00534566
-5.92007810 11.71804956 -1.60037653
0.00026530 0.00007607 0.00059312
-0.00621678 -0.01893492 0.00806836
7.61427252 12.51384778 5.26680010
-0.00017077 -0.00012040 -0.00005308
0.04417777 0.02579416 -0.01970299
21.19479354 -11.78534190 -9.36595819
-0.00069605 0.00021637 0.00014714
0.01417164 -0.03965279 -0.01763006
19.63430947 -5.74157981 -0.75384271
-0.00022619 0.00014934 0.00034976
-0.00896713 -0.01707874 -0.00494373
15.19296576 8.02250246 9.09548711
0.00041251 0.00003585 0.00036223
-0.00172234 -0.00275399 -0.01706719
3.79209045 -13.79542334 16.35937114
-0.00007406 -0.00018193 -0.00006642
0.02809050 0.01847230 -0.04171145
-2.59280714 -2.19662183 -13.49215963
-0.00005270 0.00020625 0.00014062
0.01917307 0.02006599 -0.02645380
15.46100528 -7.43198360 -13.17241769
-0.00002398 -0.00003223 -0.00003380
0.02430312 -0.00527520 -0.02365528
9.88477883 -3.87193907 6.45990638
0.00004631 -0.00009035 -0.00019684
-0.00328375 0.00053747 -0.02042322
-19.45963969 1.39207434 24.83914674
-0.00006462 -0.00011253 -0.00001122
-0.00565253 -0.04984409 -0.02173848
23.97271929 -0.99126175 -7.37037213
-0.00026265 0.00016478 -0.00010075
0.01946907 -0.01755475 -0.01964090
11.67640913 -10.19888719 -11.36951385
0.00006225 0.00027394 0.00007240
-0.00883971 -0.01858407 0.01209894
-9.05593366 -10.59437367 16.20077888
-0.00019988 0.00019886 -0.00022656
0.01383410 0.00394510 0.02081231
7.14565788 1.53418590 -27.96719401
0.00021243 -0.00018608 -0.00008161
-0.03477014 -0.00717974 0.02471226
12.60311982 18.41739008 12.67817981
0.00022611 -0.00031850 -0.00027761
0.01151072 0.00889804 0.01295464
26.10534380 7.54156876 -11.01615537
0.00014021 -0.00003208 0.00025097
0.00770006 0.00141011 0.00730258
4.92648834 -29.77895600 -4.71285414
-0.00035771 0.00019617 0.00023368
0.00000641 -0.00254209 -0.00311551
3.84221175 -30.26728473 -2.05939092
-0.00010310 -0.00102917 0.00058033
-0.00618728 0.00466056 0.02134272
-9.88881875 2.76549941 -8.61639366
-0.00063189 0.00032609 -0.00009416
-0.03056753 -0.01166756 -0.00898356
-11.75790033 2.68314181 -10.97926893
0.00016929 0.00036421 0.00028855
0.00040867 -0.00231348 0.00768726
-36.63720122 3.32585684 2.78273878
0.00074063 -0.00072779 -0.00099835
0.01549928 -0.03602891 0.00069259
-37.97239794 0.75370617 3.40261029
-0.00102261 0.00040558 -0.00089381
0.03441371 0.01176326 -0.00065900
-8.91396551 -3.85473530 1.83049126
0.00014949 0.00005995 0.00098415
-0.01215588 -0.00633623 -0.01179256
-6.60704870 -5.10841703 2.89392359
-0.00045497 -0.00030747 -0.00000318
0.00378590 0.00164656 -0.00006713
3.07956945 -0.11107573 7.52286735
0.00108787 -0.00017634 -0.00057477
0.01132075 0.00111939 -0.01444950
1.30428685 1.54900096 9.20720065
-0.00076083 -0.00094545 -0.00001911
0.00834194 -0.02012047 -0.00275880
-30.14391558 0.07830180 2.99631363
-0.00044758 0.00016163 -0.00011684
-0.00237936 0.02022057 -0.01189832
-32.76442825 1.03415063 2.79944535
0.00048992 0.00092205 -0.00013850
-0.03197631 0.00137873 0.00150469
15.77672976 11.60361225 -18.51871364
-0.00095036 -0.00132236 -0.00005911
-0.00263173 0.00112789 0.00088680
18.41896594 12.58220044 -17.66238261
-0.00000700 -0.00000376 -0.00011597
-0.03292016 0.00546769 -0.01060254
-2.88392444 6.58997634 6.18347175
-0.00006205 -0.00026448 0.00000962
0.00249085 0.00572832 -0.00228178
-2.60067639 4.91951037 3.77985404
0.00001908 -0.00043961 0.00084229
-0.00679956 0.00413447 0.01504617
6.66027000 16.44037824 -8.58336135
0.00114559 -0.00005265 -0.00030699
-0.01862125 0.00749646 0.00257783
6.80236051 17.82846887 -6.11725745
-0.00099750 -0.00097773 0.00085359
0.03337650 0.02636157 0.03319074
7.55222341 5.64998942 -22.60629497
-0.00095460 0.00073148 0.00056260
0.01502629 0.00677733 -0.01805849
8.43083530 7.19050343 -20.12553536
-0.00069216 0.00023489 0.00173879
-0.00163081 -0.01037288 -0.01264582
18.84087869 21.18496616 -4.17418432
-0.00109122 0.00000656 0.00082466
0.00149349 -0.03519591 -0.02358573
19.62999767 19.64404077 -6.76483535
0.00092194 -0.00031851 -0.00043938
0.00884928 0.00775988 0.00114680
1.44756752 12.48285934 -21.36181957
0.00102544 0.00009872 -0.00075186
0.00832654 -0.01952486 0.00762600
0.53678676 14.93430147 -22.20065452
-0.00015335 0.00057423 0.00088434
0.00448787 0.00861891 0.00860965
9.81865113 -6.96197479 0.47067186
0.00002148 -0.00017235 0.00059464
0.00612667 0.00271295 -0.00577560
9.17923348 -4.06618743 -0.12655583
0.00009690 0.00005569 0.00077562
0.03615568 -0.02514977 0.00605611
-18.17945978 -5.71149664 6.56496572
0.00045968 -0.00026498 0.00006396
-0.00407721 -0.01234395 0.01668561
-18.69515721 -4.83543132 3.92109081
0.00076143 0.00065289 0.00012017
0.00158295 -0.00377023 -0.00385497
-14.59354449 -0.27852457 19.16087791
-0.00046543 -0.00012953 -0.00123052
0.00280840 -0.00761276 0.01640796
-14.68569041 -0.20827280 22.16257648
-0.00026581 -0.00004414 0.00008087
0.00214535 0.00761634 0.00354613
0.94509556 2.44668124 -2.92647186
-0.00033421 -0.00088830 -0.00078994
0.00448175 0.01042383 -0.01060113
1.71171593 2.87890522 -5.70393327
-0.00074489 0.00019810 0.00018401
-0.00040858 -0.01055748 0.00233557
21.20366266 -10.20524311 -6.25478092
-0.00045536 0.00020806 0.00094948
-0.01104811 -0.01175852 0.01884265
23.01627412 -9.95000164 -4.04609628
-0.00020364 -0.00001663 -0.00117406
-0.05525131 -0.01657419 -0.00026471
4.65235485 -10.41534867 6.69028790
0.00107216 -0.00012043 -0.00079519
0.02421363 0.00054724 -0.01003322
3.41448740 -11.35899046 9.19834045
0.00025143 0.00062559 0.00023847
0.00321890 -0.00024313 -0.00165495
-1.96874820 -3.54281957 -20.64444553
-0.00007557 -0.00071755 -0.00027345
-0.00837316 0.01431162 -0.00219967
-2.71266648 -2.03444166 -18.28182872
0.00084263 0.00030059 0.00036965
-0.01510992 -0.00002450 0.02508515
0.87473792 4.63277377 -10.64348472
-0.00004683 -0.00011243 -0.00046858
0.00609563 0.01279096 -0.01371689
-0.73031408 3.41342177 -8.93847217
0.00091508 0.00071142 -0.00090373
-0.01876622 -0.02354254 0.06763431
-4.32859681 15.85022255 15.65983995
-0.00038981 0.00050899 0.00047531
0.01712494 0.02294190 0.02989513
-6.68810459 15.11798348 14.42024505
-0.00025388 -0.00037098 -0.00095457
-0.01400717 -0.00313481 -0.00031383
-6.41218065 2.01072934 -5.85909525
0.00036410 -0.00056507 0.00038725
-0.00427505 -0.00313873 0.00032434
-5.39734303 1.85671582 -8.57444642
-0.00151759 0.00096085 -0.00029753
-0.00160978 -0.00528331 -0.01220879
-10.04045719 -0.54044003 -3.58431052
-0.00000972 0.00056848 0.00032576
0.00073198 -0.01391533 -0.00448320
-9.84110738 2.20349227 -2.79435752
0.00046893 -0.00014561 -0.00097379
0.02252524 -0.00669214 -0.02809467
3.53986048 28.95492969 4.94662427
-0.00015538 -0.00082420 -0.00015327
-0.00549208 -0.00520169 -0.01479285
2.99141584 28.06146990 7.44159444
-0.00051745 0.00057628 -0.00010919
-0.00115766 0.00954475 0.06205571
7.88087563 -11.22137057 -1.63137556
0.00073500 -0.00005603 -0.00079559
0.01555191 0.00700816 0.00111390
10.40164922 -11.89060640 -0.15919967
-0.00137823 -0.00088333 -0.00067520
-0.00235420 0.00210936 0.00175940
-5.25556572 0.03120996 8.84711043
0.00065058 -0.00031188 0.00018740
-0.02349651 -0.00309782 0.00265712
-8.37647752 0.19679482 9.18307927
-0.00056049 -0.00031450 0.00034798
-0.00179638 -0.02010936 -0.00194141
19.72444382 10.53128606 8.74257783
-0.00097157 -0.00068503 -0.00015555
0.01936003 0.00384953 -0.03034270
22.09459893 10.79846235 6.64965506
0.00125268 0.00036606 0.00013227
-0.03711681 0.00191474 0.02043714
-3.04370551 -0.00875715 -22.45171854
-0.00003158 0.00129913 -0.00049315
0.00691867 -0.00237468 0.00387247
-4.86144871 1.64348473 -23.99149217
0.00158721 -0.00017369 -0.00003066
0.03360243 -0.00973871 -0.00441532
-12.28038672 9.83156110 9.57150421
0.00045912 0.00005115 0.00012663
-0.00653241 0.00151788 -0.00638905
-13.85768700 9.18987459 7.14230284
-0.00067419 -0.00020344 0.00082004
0.00160331 0.01050055 -0.00433441
-14.90426723 4.82556528 -4.53887697
0.00043091 -0.00043846 -0.00040405
0.01872634 0.00194027 0.00627653
-13.61322726 7.45096509 -4.61025848
-0.00009462 -0.00090344 -0.00000634
-0.00188134 -0.00625388 0.00948817
-4.39875942 -16.06743462 20.72149172
-0.00082903 -0.00089691 0.00087629
0.00409324 0.00004924 -0.00037564
-1.96494152 -16.62369273 19.25105642
-0.00009466 0.00064254 -0.00023232
-0.00207995 0.00998788 0.00851421
-5.79050197 6.22073187 -7.50031348
-0.00029027 0.00038988 -0.00046334
0.01052721 -0.01464724 -0.00099837
-7.25459258 8.45534968 -6.73286133
0.00017653 0.00111765 -0.00002516
-0.00528302 0.01321501 -0.00201841
-20.71334763 28.81553426 1.03761562
0.00067764 -0.00011915 -0.00038667
0.01512656 0.02320693 -0.00848808
-17.99817619 29.50863676 0.16738339
0.00008921 -0.00047291 0.00007471
-0.00847759 0.00276915 0.00947725
9.02123097 2.91813297 6.66109452
-0.00092473 0.00047200 -0.00033493
-0.02530925 -0.01727691 -0.03316057
9.40216732 5.47798491 8.15412344
0.00060924 -0.00095704 0.00071899
-0.01293705 0.02659002 0.00015027
7.82248032 17.76601679 -12.34987525
0.00039234 -0.00039681 0.00020969
0.00326777 0.00770215 -0.00047393
8.37423719 15.04407022 -12.29381586
0.00023610 -0.00015475 0.00010330
0.01010474 -0.01606028 -0.00109849
12.30741617 6.04909426 -1.15744933
0.00110196 -0.00079127 0.00024071
-0.00444463 0.00707820 -0.00003888
13.38476048 3.77928630 0.34185869
-0.00076898 0.00011301 0.00075915
0.00276779 0.00047935 -0.00065682
-4.60235936 10.48096359 -2.10167438
0.00069503 -0.00000096 -0.00096520
-0.00951163 0.00988559 0.01123075
-7.03907920 10.96167598 -0.26745799
-0.00027260 0.00089705 0.00050448
0.02412996 0.00874823 -0.02504671
7.68202070 14.41653180 5.21085211
0.00051725 0.00090908 0.00036471
-0.00205687 -0.03215071 0.00114182
9.32531925 11.93725739 4.53222024
-0.00027433 -0.00003914 0.00049496
-0.03688659 0.00996371 0.01316624
19.94215180 -13.05131570 -8.78162936
-0.00025114 0.00072170 -0.00013641
0.00657026 0.01731517 -0.00209785
22.67995374 -12.87792293 -9.86016694
-0.00082250 -0.00088868 -0.00121952
-0.02651846 0.02401409 0.00991303
19.44348243 -4.86686800 -2.40833029
-0.00076837 0.00032101 0.00007326
-0.00526726 -0.01214927 0.01122670
18.45623419 -7.23580962 -0.62263140
0.00082723 -0.00047048 0.00097538
0.01490270 0.02348533 -0.01081507
13.84626020 9.22987597 9.35566502
0.00001202 -0.00084138 0.00023034
0.00320583 0.00072103 0.00263481
15.78064453 7.54247490 10.73830603
0.00115929 -0.00012882 0.00074049
-0.00043753 0.00390899 0.01483921
3.17025517 -15.21471849 17.20838949
0.00021168 0.00029139 -0.00054800
-0.02249284 -0.01413327 0.02736733
3.30341632 -12.14736118 16.97741701
0.00045856 0.00008010 -0.00047468
-0.00229580 -0.01210399 0.00964908
-2.75955607 -3.75010572 -12.64038308
-0.00000796 -0.00020149 -0.00036198
-0.00075628 -0.02014936 0.00948070
-0.81798408 -2.06674494 -14.11793084
-0.00005012 -0.00029309 -0.00000584
-0.02159275 0.00058881 0.01941232
15.69722681 -7.70624503 -15.03934534
-0.00019048 -0.00077889 0.00007243
-0.00338807 0.00144986 0.02177436
17.06955338 -8.05132062 -12.45998515
-0.00024787 0.00069814 -0.00055043
-0.01932977 0.00602975 -0.00163882
8.47578080 -3.15514644 5.44004106
0.00143086 -0.00024613 -0.00099313
0.02333594 -0.01517187 0.01022075
11.16765059 -4.56191244 5.28583826
0.00090051 0.00029267 -0.00059971
-0.01840566 0.01532416 0.01002832
-20.66124852 -0.09639712 24.87852433
0.00011986 -0.00063008 -0.00076522
0.01409221 0.03912344 0.00432911
-19.79137228 2.67392484 26.06335347
-0.00067924 -0.00033394 -0.00013542
-0.01062468 0.00641233 0.01531274
25.08752215 -2.56786371 -7.40328522
-0.00001644 0.00010134 0.00078926
-0.01823840 0.02784668 -0.00198584
23.81888739 -0.47295119 -9.16247764
0.00057400 0.00096295 -0.00012518
0.00619142 -0.01295904 0.01673689
12.38299418 -10.83575895 -9.78585321
0.00072202 0.00022128 -0.00097533
-0.00422027 0.01086373 0.00296199
12.88700626 -8.99184235 -12.01188804
0.00037438 0.00079706 0.00067875
0.01356129 0.00691051 -0.00607674
-7.44570347 -10.68076231 17.20893417
-0.00072090 0.00055044 -0.00101888
-0.02306834 0.00863207 -0.01074948
-10.20667256 -9.85700844 17.45443715
-0.00086149 0.00058738 -0.00062734
0.00279784 -0.01032289 -0.00706151
8.33622133 1.31820176 -29.31777787
0.00050954 0.00082402 0.00040954
0.01509769 0.00341778 -0.01994214
5.47334476 0.94205309 -28.46836469
-0.00032769 -0.00003988 -0.00043226
0.00993737 0.00009079 -0.00338863
13.81395876 19.35663383 13.70443186
-0.00141726 -0.00017339 -0.00019023
-0.01165838 -0.00228651 -0.00231408
13.70467423 17.66551728 11.45596803
-0.00018703 -0.00006189 0.00051414
0.00153191 -0.00675156 -0.01064143
27.81114497 7.83060770 -11.74821972
0.00038927 0.00004385 -0.00072846
-0.00797268 -0.00248585 0.00987482
26.25637021 7.73835373 -9.14097376
0.00017012 0.00027868 -0.00023309
0.00276016 0.00216163 -0.01006849
-7.78573418 4.72726663 6.22481375
0.00006607 -0.00001715 0.00014024
-0.00287795 -0.00317286 0.00083906
-10.14059854 9.06581248 3.18860796
0.00033783 -0.00011881 0.00027662
0.00285867 -0.00060659 0.00204950
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.07607898
0.31061057
413.87301272
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0603197674
ExchangeOperator: pair fraction: ispin=0: 0.1507193077
ExchangeOperator: bisection time: 1.256 s
total exchange = -52.3119307130 (a.u.)
total exchange computation time: 3.0083408356 s
-153.9141124518
-931.38430011
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0603197674
ExchangeOperator: pair fraction: ispin=0: 0.1507193077
ExchangeOperator: bisection time: 1.258 s
total exchange = -52.3121615996 (a.u.)
total exchange computation time: 3.0112371445 s
-153.9132489863
Anderson extrapolation: theta=1.3629578433 (1.3629578433)
-931.38452201
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0603197674
ExchangeOperator: pair fraction: ispin=0: 0.1507193077
ExchangeOperator: bisection time: 1.256 s
total exchange = -52.3124420121 (a.u.)
total exchange computation time: 3.0073029995 s
-153.9123456514
Anderson extrapolation: theta=0.0569178111 (0.0569178111)
-931.38465676
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0603197674
ExchangeOperator: pair fraction: ispin=0: 0.1507193077
ExchangeOperator: bisection time: 1.257 s
total exchange = -52.3124266163 (a.u.)
total exchange computation time: 3.0080559254 s
-153.9125855014
Anderson extrapolation: theta=2.0519242075 (2.0000000000)
-931.38466253
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0603197674
ExchangeOperator: pair fraction: ispin=0: 0.1507193077
ExchangeOperator: bisection time: 1.256 s
total exchange = -52.3123856004 (a.u.)
total exchange computation time: 3.0083639622 s
-153.9131234230
Anderson extrapolation: theta=0.2591215752 (0.2591215752)
-931.38466929
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0603197674
ExchangeOperator: pair fraction: ispin=0: 0.1507193077
ExchangeOperator: bisection time: 1.257 s
total exchange = -52.3123754798 (a.u.)
total exchange computation time: 3.0084850788 s
-153.9132352687
Anderson extrapolation: theta=1.6544421655 (1.6544421655)
-931.38467075
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0603197674
ExchangeOperator: pair fraction: ispin=0: 0.1507193077
ExchangeOperator: bisection time: 1.255 s
total exchange = -52.3123724400 (a.u.)
total exchange computation time: 3.0066411495 s
-153.9132886233
Anderson extrapolation: theta=0.3169661654 (0.3169661654)
-931.38467237
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0603197674
ExchangeOperator: pair fraction: ispin=0: 0.1507193077
ExchangeOperator: bisection time: 1.256 s
total exchange = -52.3123845195 (a.u.)
total exchange computation time: 3.0070030689 s
-153.9131845036
Anderson extrapolation: theta=1.1697402651 (1.1697402651)
-931.38467278
21.745807 27.441393 -165.878581
559.294683 1075.045042 -408.619097
581.040491 1102.486435 -574.497678
1372.272558
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0603197674
ExchangeOperator: pair fraction: ispin=0: 0.1507193077
ExchangeOperator: bisection time: 1.255 s
total exchange = -52.3124068801 (a.u.)
total exchange computation time: 3.0068259239 s
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0603197674
ExchangeOperator: pair fraction: ispin=0: 0.1507193077
ExchangeOperator: bisection time: 1.256 s
total exchange = -52.3124068801 (a.u.)
total exchange computation time: 3.0091412067 s
[qbox] save md162.xml
SampleWriter: write time: 1.131 s
SampleWriter: file size: 1595163516
SampleWriter: aggregate write rate: 1345.17 MB/s
[qbox] End of command stream
5391.39
2013-11-22T05:01:17Z