mirror of
https://github.com/triqs/dft_tools
synced 2024-12-22 20:34:38 +01:00
291 lines
41 KiB
Plaintext
291 lines
41 KiB
Plaintext
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ISITE: 1 R= ( 0.0000000 0.0000000 0.0000000 ) Hydrogen-like : n= 1 za= 1.0000
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k-point: 1 spin: 1
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band n= 1 lm= dz2 n= 1 lm= dxz n= 1 lm= dyz n= 1 lm= dx2-y2 n= 1 lm= dxy
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1 0.0000000 0.0000000 -0.0000000 -0.0000000 0.0000000 0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000
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2 -0.0000000 -0.0000000 0.0000000 0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000
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3 0.0000000 -0.0000000 -0.0000000 -0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
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4 -0.0000035 0.0000039 -0.0001216 0.0001346 -0.0001216 0.0001347 0.0000005 -0.0000006 0.0001545 -0.0001711
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5 -0.0000001 0.0000000 0.6255568 -0.2798875 -0.6260395 0.2801035 0.0006490 -0.0002904 0.0001895 -0.0000848
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6 -0.0057819 0.0085651 0.1944218 -0.2880069 0.1941304 -0.2875752 -0.0000010 0.0000015 -0.4676191 0.6927077
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7 0.0059208 0.0028847 0.5314849 0.2589472 0.5312088 0.2588127 -0.0000031 -0.0000015 0.4414439 0.2150779
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8 0.5108378 0.8248761 -0.0001622 -0.0002619 -0.0001637 -0.0002643 0.0003174 0.0005125 -0.0063444 -0.0102446
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9 -0.0000131 -0.0006025 -0.0000107 -0.0004918 0.0000108 0.0004979 0.0211139 0.9700511 0.0000002 0.0000075
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10 0.0000000 -0.0000000 -0.0000000 0.0000000 -0.0000000 0.0000000 -0.0000000 0.0000000 0.0000000 -0.0000000
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11 0.0000000 0.0000000 -0.0000000 -0.0000000 0.0000000 0.0000000 0.0000000 -0.0000000 -0.0000000 -0.0000000
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12 -0.0000000 -0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
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13 -0.0478268 0.1291968 0.0000010 -0.0000028 0.0000010 -0.0000028 -0.0000208 0.0000562 0.0000215 -0.0000581
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14 0.0000572 0.0000196 0.0000200 0.0000069 -0.0000201 -0.0000069 -0.1305107 -0.0447543 -0.0000000 -0.0000000
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15 -0.0006636 0.0002994 0.0002634 -0.0001189 0.0002644 -0.0001193 0.0000008 -0.0000004 -0.0016170 0.0007296
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16 -0.0000000 0.0000001 0.0298738 -0.1326428 -0.0298851 0.1326933 0.0000027 -0.0000122 0.0000103 -0.0000455
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17 0.0001242 -0.0007225 -0.0038959 0.0226686 -0.0039055 0.0227242 -0.0000000 0.0000001 -0.0321902 0.1873009
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18 -0.0000312 -0.0001214 -0.0334350 -0.1300959 -0.0334194 -0.1300349 -0.0000000 -0.0000002 0.0081714 0.0317949
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19 0.0000000 -0.0000000 0.0000000 -0.0000000 -0.0000000 0.0000000 -0.0000000 0.0000000 0.0000000 -0.0000000
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20 -0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 -0.0000000 -0.0000000 0.0000000 0.0000000 0.0000000
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21 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 -0.0000000 0.0000000 -0.0000000 0.0000000 0.0000000
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22 -0.0000287 -0.0000060 -0.0000704 -0.0000147 -0.0000705 -0.0000147 0.0000002 0.0000000 0.0002369 0.0000495
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23 0.0000000 0.0000000 -0.0000000 -0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 -0.0000000
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24 -0.0000000 -0.0000000 0.0000000 -0.0000000 -0.0000000 0.0000000 0.0000000 -0.0000000 -0.0000000 -0.0000000
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25 0.0000000 0.0000000 0.0000000 0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 0.0000000
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26 -0.0085078 0.1343861 -0.0000001 0.0000020 -0.0000001 0.0000020 -0.0000034 0.0000533 0.0000059 -0.0000928
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27 0.0000330 -0.0000424 -0.0000005 0.0000006 0.0000005 -0.0000006 -0.0826894 0.1063545 -0.0000000 0.0000000
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28 -0.0000111 -0.0000091 0.0000330 0.0000269 0.0000330 0.0000269 -0.0000000 -0.0000000 -0.0000694 -0.0000566
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29 -0.0000000 0.0000000 0.0000000 0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 0.0000000 0.0000000
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30 -0.0000000 -0.0000000 -0.0000001 0.0000000 0.0000000 -0.0000001 -0.0000001 -0.0000000 -0.0000001 0.0000000
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31 0.0000000 0.0000001 0.0000003 0.0000001 -0.0000001 -0.0000000 0.0000007 0.0000003 0.0000001 -0.0000000
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32 -0.0000001 0.0000001 0.0000008 0.0000008 -0.0000015 -0.0000007 -0.0000000 -0.0000024 -0.0000005 0.0000003
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k-point: 2 spin: 1
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band n= 1 lm= dz2 n= 1 lm= dxz n= 1 lm= dyz n= 1 lm= dx2-y2 n= 1 lm= dxy
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1 0.0000000 -0.0000000 -0.0000000 0.0000000 0.0000000 -0.0000000 -0.0000000 0.0000000 0.0000000 -0.0000000
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2 -0.0000000 0.0000000 -0.0000000 0.0000000 0.0000000 -0.0000000 -0.0000000 0.0000000 0.0000000 -0.0000000
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3 -0.0000000 0.0000000 -0.0000000 0.0000000 -0.0000000 0.0000000 -0.0000000 0.0000000 -0.0000000 0.0000000
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4 0.2714971 -0.3432913 -0.0028993 0.0036660 0.5517689 -0.6976778 -0.4203091 0.5314550 0.0022838 -0.0028877
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5 0.0003173 -0.0004042 -0.4657839 0.5934465 -0.0030303 0.0038608 0.0032785 -0.0041771 0.4642977 -0.5915529
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6 -0.0000000 0.0000000 -0.0000000 0.0000000 0.0000000 -0.0000000 0.0000000 -0.0000000 0.0000000 -0.0000000
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7 -0.2430234 0.3088580 -0.0039583 0.0050306 0.2484766 -0.3157884 0.3423774 -0.4351268 -0.0038964 0.0049519
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8 0.5384214 -0.5557815 0.0077680 -0.0080185 0.0089959 -0.0092859 0.2976785 -0.3072764 0.0039671 -0.0040950
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9 -0.0082891 0.0115516 0.3581314 -0.4990864 0.0027191 -0.0037893 -0.0004091 0.0005701 0.3598281 -0.5014508
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10 -0.0115477 0.0147671 0.0005109 -0.0006533 -0.0069162 0.0088444 0.0172727 -0.0220883 -0.0001312 0.0001678
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11 0.0000000 -0.0000000 0.0000000 -0.0000000 -0.0000000 0.0000000 0.0000000 -0.0000000 0.0000000 -0.0000000
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12 0.0000000 -0.0000000 0.0000000 -0.0000000 0.0000000 -0.0000000 -0.0000000 0.0000000 -0.0000000 0.0000000
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13 0.0001847 -0.0002353 0.0740412 -0.0943256 -0.0001487 0.0001894 0.0000171 -0.0000218 -0.0742931 0.0946464
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14 0.0515922 -0.0663652 -0.0000636 0.0000818 0.0354625 -0.0456169 -0.0801683 0.1031239 0.0000686 -0.0000882
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15 -0.0000000 0.0000000 0.0000000 -0.0000000 0.0000000 -0.0000000 0.0000000 -0.0000000 0.0000000 -0.0000000
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16 0.0209075 -0.0257957 0.0000440 -0.0000543 0.0631741 -0.0779446 -0.0320915 0.0395947 -0.0004395 0.0005422
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17 -0.0587850 0.0764235 -0.0000744 0.0000967 -0.0000539 0.0000701 -0.0305422 0.0397064 0.0000892 -0.0001159
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18 0.0000000 -0.0000000 0.0000000 -0.0000000 -0.0000000 0.0000000 -0.0000000 0.0000000 -0.0000000 0.0000000
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19 -0.0000000 0.0000000 -0.0000000 0.0000000 -0.0000000 0.0000000 -0.0000000 0.0000000 -0.0000000 0.0000000
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20 -0.0059776 0.0076051 -0.0000196 0.0000250 0.0826062 -0.1050973 0.0093026 -0.0118354 0.0000787 -0.0001002
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21 -0.0000000 0.0000000 0.0000000 -0.0000000 0.0000000 -0.0000000 -0.0000000 0.0000000 -0.0000000 0.0000000
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22 0.0000015 -0.0000019 0.0422819 -0.0539106 0.0000319 -0.0000406 0.0001086 -0.0001385 -0.0423429 0.0539883
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23 -0.0000000 0.0000000 0.0000000 -0.0000000 0.0000000 -0.0000000 -0.0000000 0.0000000 0.0000000 -0.0000000
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24 0.0771761 -0.0982018 0.0000927 -0.0001179 -0.0000394 0.0000501 0.0399602 -0.0508468 -0.0000013 0.0000016
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25 -0.0001276 0.0001626 0.0524000 -0.0668027 0.0000482 -0.0000614 -0.0001310 0.0001670 0.0524852 -0.0669113
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26 0.0000000 -0.0000000 0.0000000 -0.0000000 -0.0000000 0.0000000 0.0000000 -0.0000000 0.0000000 -0.0000000
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27 -0.0050803 0.0064752 0.0001124 -0.0001433 0.0345285 -0.0440095 0.0078298 -0.0099797 0.0000907 -0.0001157
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28 -0.0000000 0.0000000 0.0000000 -0.0000000 0.0000000 -0.0000000 0.0000000 -0.0000000 -0.0000000 0.0000000
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29 0.0000000 -0.0000000 0.0000000 -0.0000000 0.0000000 -0.0000000 0.0000000 -0.0000000 0.0000000 -0.0000000
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30 -0.0001254 0.0001596 0.0553613 -0.0704780 0.0000724 -0.0000922 0.0000163 -0.0000208 0.0553620 -0.0704789
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31 -0.0365290 0.0466814 -0.0000563 0.0000719 -0.0182727 0.0233512 0.0567738 -0.0725528 0.0000187 -0.0000239
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32 -0.0000000 0.0000000 -0.0000000 0.0000000 -0.0000000 0.0000000 0.0000000 -0.0000000 -0.0000000 0.0000000
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k-point: 3 spin: 1
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band n= 1 lm= dz2 n= 1 lm= dxz n= 1 lm= dyz n= 1 lm= dx2-y2 n= 1 lm= dxy
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1 -0.0000000 -0.0000000 0.0000000 0.0000000 -0.0000000 -0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
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2 -0.0000000 -0.0000000 0.0000000 0.0000000 -0.0000000 -0.0000000 0.0000000 0.0000000 -0.0000000 -0.0000000
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3 -0.0000000 -0.0000000 0.0000000 0.0000000 -0.0000000 -0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
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4 0.2339836 0.3698831 0.4755263 0.7517155 -0.0024999 -0.0039519 0.3622322 0.5726194 0.0019698 0.0031138
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5 -0.0002730 -0.0004312 0.0026267 0.0041494 0.4035137 0.6374269 0.0028411 0.0044880 -0.4022242 -0.6353898
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6 0.0000000 0.0000000 0.0000000 0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 0.0000000 0.0000000
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7 0.2098791 0.3323074 -0.2145730 -0.3397393 0.0034161 0.0054089 0.2956500 0.4681107 0.0033629 0.0053246
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8 0.4130602 0.6543286 0.0069093 0.0109450 0.0059612 0.0094432 -0.2283873 -0.3617882 0.0030471 0.0048270
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9 0.0075810 0.0120333 -0.0024844 -0.0039435 -0.3274362 -0.5197385 -0.0003777 -0.0005995 -0.3289898 -0.5222045
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10 -0.0100315 -0.0158374 -0.0060064 -0.0094827 0.0004438 0.0007006 -0.0150046 -0.0236887 -0.0001143 -0.0001804
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11 -0.0000000 -0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 -0.0000000 -0.0000000 0.0000000 0.0000000
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12 0.0000000 0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
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13 -0.0001598 -0.0002528 0.0001287 0.0002037 -0.0640650 -0.1013652 0.0000148 0.0000234 0.0642833 0.1017107
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14 0.0449511 0.0710309 0.0308981 0.0488246 -0.0000555 -0.0000876 0.0698494 0.1103746 0.0000598 0.0000944
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15 0.0000000 0.0000000 0.0000000 0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000
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16 -0.0172680 -0.0283609 -0.0521773 -0.0856959 -0.0000365 -0.0000600 -0.0265046 -0.0435311 0.0003630 0.0005962
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17 0.0515910 0.0814531 0.0000473 0.0000746 0.0000653 0.0001030 -0.0268047 -0.0423199 -0.0000782 -0.0001235
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18 0.0000000 0.0000000 -0.0000000 -0.0000000 0.0000000 0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000
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19 0.0000000 0.0000000 -0.0000000 -0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 -0.0000000 -0.0000000
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20 0.0051359 0.0081968 -0.0709770 -0.1132765 0.0000169 0.0000270 0.0079928 0.0127562 -0.0000676 -0.0001079
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21 -0.0000000 -0.0000000 -0.0000000 -0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 -0.0000000 -0.0000000
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22 -0.0000012 -0.0000019 -0.0000276 -0.0000436 -0.0366330 -0.0578974 0.0000942 0.0001488 0.0366859 0.0579810
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23 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
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24 0.0667631 0.1055579 -0.0000341 -0.0000539 0.0000802 0.0001268 -0.0345686 -0.0546558 -0.0000011 -0.0000017
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25 0.0001106 0.0001749 -0.0000417 -0.0000659 -0.0453755 -0.0717595 -0.0001134 -0.0001794 -0.0454494 -0.0718763
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26 0.0000000 0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000
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27 0.0043908 0.0069612 -0.0298425 -0.0473127 -0.0000971 -0.0001539 0.0067671 0.0107286 -0.0000783 -0.0001242
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28 0.0000000 0.0000000 0.0000000 0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 0.0000000 0.0000000
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29 0.0000000 0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 0.0000000 0.0000000 -0.0000000 -0.0000000
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30 -0.0001086 -0.0001716 0.0000626 0.0000990 0.0479149 0.0757374 -0.0000141 -0.0000223 0.0479156 0.0757385
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31 -0.0315634 -0.0501722 -0.0157890 -0.0250977 -0.0000487 -0.0000773 -0.0490564 -0.0779785 0.0000162 0.0000257
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32 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000
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k-point: 4 spin: 1
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band n= 1 lm= dz2 n= 1 lm= dxz n= 1 lm= dyz n= 1 lm= dx2-y2 n= 1 lm= dxy
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1 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
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2 -0.0000000 -0.0000000 0.0000000 0.0000000 -0.0000000 -0.0000000 0.0000000 0.0000000 -0.0000000 -0.0000000
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3 -0.0000000 -0.0000000 0.0000000 0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000
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4 -0.2892751 -0.6915066 0.0000952 0.0002275 0.0000954 0.0002280 -0.0000007 -0.0000018 -0.3426673 -0.8191397
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5 -0.0001798 -0.0004290 -0.2911499 -0.6946742 -0.2911513 -0.6946777 0.0000009 0.0000021 -0.0000513 -0.0001223
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6 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
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7 -0.2416534 -0.5742139 0.0001165 0.0002767 0.0001134 0.0002695 -0.0000173 -0.0000412 0.1572957 0.3737642
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8 0.0000114 0.0000278 -0.0003297 -0.0008048 0.0003284 0.0008016 -0.3679899 -0.8982588 -0.0000064 -0.0000156
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9 0.0000014 0.0000033 0.2375021 0.5682279 -0.2375004 -0.5682238 -0.0005257 -0.0012578 -0.0000012 -0.0000028
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10 0.0129440 0.0308509 0.0000337 0.0000804 0.0000335 0.0000799 0.0000001 0.0000003 0.0040751 0.0097127
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11 0.0000000 0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000
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12 0.0000000 0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
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13 -0.0000088 -0.0000211 -0.0463836 -0.1107743 -0.0463834 -0.1107736 -0.0000000 -0.0000001 -0.0000118 -0.0000282
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14 -0.0555271 -0.1329398 -0.0000503 -0.0001205 -0.0000504 -0.0001206 0.0000002 0.0000005 -0.0223792 -0.0535789
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15 -0.0000000 -0.0000000 0.0000000 0.0000000 -0.0000000 -0.0000000 0.0000000 0.0000000 -0.0000000 -0.0000000
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16 -0.0210545 -0.0512373 -0.0000123 -0.0000299 -0.0000122 -0.0000297 -0.0000002 -0.0000005 -0.0382175 -0.0930044
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17 -0.0000001 -0.0000003 0.0000208 0.0000499 -0.0000207 -0.0000498 0.0458434 0.1100904 -0.0000000 -0.0000000
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18 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 -0.0000000 -0.0000000
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19 0.0000000 0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 0.0000000 0.0000000 -0.0000000 -0.0000000
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20 0.0065873 0.0156674 0.0000091 0.0000216 0.0000090 0.0000215 -0.0000000 -0.0000000 -0.0517593 -0.1231055
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21 -0.0000000 -0.0000000 -0.0000000 -0.0000000 0.0000000 0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000
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22 0.0000058 0.0000140 -0.0264701 -0.0632096 -0.0264701 -0.0632095 -0.0000000 -0.0000000 0.0000170 0.0000406
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23 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 0.0000000 0.0000000 -0.0000000 -0.0000000
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24 -0.0000001 -0.0000001 -0.0000019 -0.0000046 0.0000019 0.0000046 0.0583078 0.1425028 -0.0000000 -0.0000000
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25 0.0000000 0.0000001 -0.0330460 -0.0782429 0.0330459 0.0782428 -0.0000017 -0.0000041 0.0000000 0.0000001
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26 0.0000000 0.0000000 -0.0000000 -0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 -0.0000000 -0.0000000
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27 0.0054605 0.0130159 0.0000064 0.0000153 0.0000063 0.0000151 0.0000000 0.0000001 -0.0216164 -0.0515257
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28 0.0000000 0.0000000 -0.0000000 -0.0000000 0.0000000 0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000
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29 0.0000000 0.0000000 0.0000000 0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000
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30 0.0000000 0.0000000 -0.0345328 -0.0825429 0.0345327 0.0825428 0.0000213 0.0000509 0.0000001 0.0000001
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31 0.0383645 0.0938871 -0.0000146 -0.0000358 -0.0000147 -0.0000359 -0.0000000 -0.0000001 0.0112441 0.0275170
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32 0.0000000 0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 0.0000000 0.0000000 -0.0000000 -0.0000000
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k-point: 5 spin: 1
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band n= 1 lm= dz2 n= 1 lm= dxz n= 1 lm= dyz n= 1 lm= dx2-y2 n= 1 lm= dxy
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1 -0.0000000 0.0000000 0.0000000 -0.0000000 -0.0000000 0.0000000 -0.0000000 0.0000000 -0.0000000 0.0000000
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2 -0.0000000 0.0000000 0.0000000 -0.0000000 -0.0000000 0.0000000 0.0000000 -0.0000000 0.0000000 -0.0000000
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|
|
3 0.0000000 -0.0000000 -0.0000000 0.0000000 0.0000000 -0.0000000 0.0000000 -0.0000000 0.0000000 -0.0000000
|
||
|
|
4 -0.6513709 0.3682251 0.0000608 -0.0000344 0.0000561 -0.0000317 -0.0000017 0.0000010 0.7737462 -0.4374048
|
||
|
|
5 -0.0000024 0.0000014 -0.6558354 0.3706456 0.6558386 -0.3706474 -0.0004082 0.0002307 0.0000027 -0.0000015
|
||
|
|
6 0.0000000 -0.0000000 0.0000000 -0.0000000 0.0000000 -0.0000000 -0.0000000 0.0000000 -0.0000000 0.0000000
|
||
|
|
7 0.5437986 -0.3077618 0.0005307 -0.0003003 0.0005309 -0.0003005 0.0000334 -0.0000189 0.3511944 -0.1987578
|
||
|
|
8 0.0000228 -0.0000129 0.0003220 -0.0001821 -0.0003137 0.0001774 -0.8449876 0.4778368 0.0000123 -0.0000070
|
||
|
|
9 -0.0004949 0.0002788 0.5365180 -0.3022517 0.5365142 -0.3022495 0.0000065 -0.0000036 -0.0003756 0.0002116
|
||
|
|
10 0.0260938 -0.0147986 0.0001391 -0.0000789 0.0001396 -0.0000792 0.0000004 -0.0000002 -0.0079743 0.0045225
|
||
|
|
11 -0.0000000 0.0000000 0.0000000 -0.0000000 -0.0000000 0.0000000 -0.0000000 0.0000000 0.0000000 -0.0000000
|
||
|
|
12 -0.0000000 0.0000000 0.0000000 -0.0000000 -0.0000000 0.0000000 0.0000000 -0.0000000 0.0000000 -0.0000000
|
||
|
|
13 -0.0000000 0.0000000 -0.1041425 0.0588828 0.1041419 -0.0588824 -0.0000699 0.0000395 -0.0000001 0.0000001
|
||
|
|
14 -0.1251156 0.0706938 -0.0000821 0.0000464 -0.0000822 0.0000464 0.0000005 -0.0000003 0.0506958 -0.0286445
|
||
|
|
15 -0.0000000 0.0000000 0.0000000 -0.0000000 -0.0000000 0.0000000 0.0000000 -0.0000000 0.0000000 -0.0000000
|
||
|
|
16 0.0482274 -0.0272426 0.0000428 -0.0000242 0.0000424 -0.0000239 0.0000005 -0.0000003 -0.0870260 0.0491591
|
||
|
|
17 -0.0000003 0.0000002 -0.0000173 0.0000097 0.0000173 -0.0000097 0.1037405 -0.0580735 0.0000000 -0.0000000
|
||
|
|
18 0.0000000 -0.0000000 -0.0000000 0.0000000 0.0000000 -0.0000000 0.0000000 -0.0000000 0.0000000 -0.0000000
|
||
|
|
19 -0.0000000 0.0000000 0.0000000 -0.0000000 -0.0000000 0.0000000 -0.0000000 0.0000000 -0.0000000 0.0000000
|
||
|
|
20 -0.0142129 0.0081210 0.0000909 -0.0000519 0.0000909 -0.0000519 0.0000000 -0.0000000 -0.1162455 0.0664206
|
||
|
|
21 -0.0000000 0.0000000 -0.0000000 0.0000000 0.0000000 -0.0000000 -0.0000000 0.0000000 0.0000000 -0.0000000
|
||
|
|
22 0.0000001 -0.0000000 -0.0595921 0.0337466 0.0595920 -0.0337465 -0.0000209 0.0000119 0.0000000 -0.0000000
|
||
|
|
23 -0.0000000 0.0000000 -0.0000000 0.0000000 0.0000000 -0.0000000 -0.0000000 0.0000000 0.0000000 -0.0000000
|
||
|
|
24 0.0000001 -0.0000001 0.0000078 -0.0000044 -0.0000077 0.0000044 -0.1341501 0.0758380 -0.0000000 0.0000000
|
||
|
|
25 0.0000383 -0.0000217 0.0740720 -0.0420293 0.0740719 -0.0420292 0.0000001 -0.0000001 -0.0000367 0.0000208
|
||
|
|
26 0.0000000 -0.0000000 0.0000000 -0.0000000 0.0000000 -0.0000000 0.0000000 -0.0000000 0.0000000 -0.0000000
|
||
|
|
27 -0.0121173 0.0068834 0.0000967 -0.0000549 0.0000966 -0.0000549 -0.0000001 0.0000001 -0.0488206 0.0277333
|
||
|
|
28 0.0000000 -0.0000000 0.0000000 -0.0000000 0.0000000 -0.0000000 -0.0000000 0.0000000 0.0000000 -0.0000000
|
||
|
|
29 -0.0000000 0.0000000 0.0000000 -0.0000000 0.0000000 -0.0000000 -0.0000000 0.0000000 0.0000000 -0.0000000
|
||
|
|
30 -0.0000937 0.0000530 -0.0780440 0.0440904 -0.0780439 0.0440903 -0.0000001 0.0000000 0.0000897 -0.0000507
|
||
|
|
31 -0.0883692 0.0499516 0.0000783 -0.0000443 0.0000783 -0.0000443 0.0000001 -0.0000001 0.0260493 -0.0147246
|
||
|
|
32 -0.0000000 0.0000000 -0.0000000 0.0000000 0.0000000 -0.0000000 0.0000000 -0.0000000 0.0000000 -0.0000000
|
||
|
|
|
||
|
|
k-point: 6 spin: 1
|
||
|
|
|
||
|
|
band n= 1 lm= dz2 n= 1 lm= dxz n= 1 lm= dyz n= 1 lm= dx2-y2 n= 1 lm= dxy
|
||
|
|
1 -0.0000000 0.0000000 -0.0000000 0.0000000 -0.0000000 0.0000000 0.0000000 -0.0000000 0.0000000 -0.0000000
|
||
|
|
2 0.0000000 -0.0000000 -0.0000000 0.0000000 0.0000000 -0.0000000 0.0000000 -0.0000000 0.0000000 -0.0000000
|
||
|
|
3 -0.0000000 0.0000000 0.0000000 -0.0000000 -0.0000000 0.0000000 0.0000000 -0.0000000 -0.0000000 0.0000000
|
||
|
|
4 0.0542265 -0.4343122 -0.1101998 0.8826148 0.0006213 -0.0049764 0.0839490 -0.6723662 0.0004809 -0.0038520
|
||
|
|
5 0.0000772 -0.0006215 0.0006255 -0.0050377 0.0929534 -0.7486865 -0.0007332 0.0059056 0.0926566 -0.7462954
|
||
|
|
6 0.0000000 -0.0000000 0.0000000 -0.0000000 -0.0000000 0.0000000 0.0000000 -0.0000000 -0.0000000 0.0000000
|
||
|
|
7 -0.0483347 0.3899275 -0.0494315 0.3987757 0.0008250 -0.0066557 -0.0681179 0.5495237 -0.0008803 0.0071016
|
||
|
|
8 -0.0941153 0.7681378 0.0015666 -0.0127861 0.0013006 -0.0106150 0.0520214 -0.4245816 -0.0005414 0.0044185
|
||
|
|
9 0.0016449 -0.0133798 0.0006220 -0.0050591 0.0749556 -0.6096787 0.0000450 -0.0003661 -0.0753107 0.6125670
|
||
|
|
10 -0.0022709 0.0184828 0.0013671 -0.0111272 -0.0000712 0.0005791 -0.0033961 0.0276410 -0.0000350 0.0002848
|
||
|
|
11 0.0000000 -0.0000000 -0.0000000 0.0000000 -0.0000000 0.0000000 0.0000000 -0.0000000 -0.0000000 0.0000000
|
||
|
|
12 -0.0000000 0.0000000 0.0000000 -0.0000000 -0.0000000 0.0000000 -0.0000000 0.0000000 -0.0000000 0.0000000
|
||
|
|
13 -0.0000292 0.0002358 -0.0000262 0.0002120 0.0147017 -0.1189243 -0.0000021 0.0000167 0.0147520 -0.1193311
|
||
|
|
14 -0.0103164 0.0833853 0.0070989 -0.0573786 0.0000158 -0.0001280 -0.0160315 0.1295793 -0.0000080 0.0000646
|
||
|
|
15 0.0000000 -0.0000000 0.0000000 -0.0000000 0.0000000 -0.0000000 -0.0000000 0.0000000 -0.0000000 0.0000000
|
||
|
|
16 0.0037387 -0.0329954 -0.0113078 0.0997944 -0.0000170 0.0001501 0.0057386 -0.0506448 -0.0000767 0.0006766
|
||
|
|
17 0.0120742 -0.0956174 -0.0000116 0.0000921 -0.0000117 0.0000929 -0.0062725 0.0496726 -0.0000280 0.0002216
|
||
|
|
18 0.0000000 -0.0000000 -0.0000000 0.0000000 -0.0000000 0.0000000 0.0000000 -0.0000000 -0.0000000 0.0000000
|
||
|
|
19 0.0000000 -0.0000000 -0.0000000 0.0000000 -0.0000000 0.0000000 0.0000000 -0.0000000 0.0000000 -0.0000000
|
||
|
|
20 -0.0011462 0.0095938 -0.0158672 0.1328135 -0.0000050 0.0000415 -0.0017834 0.0149278 0.0000300 -0.0002513
|
||
|
|
21 -0.0000000 0.0000000 -0.0000000 0.0000000 0.0000000 -0.0000000 -0.0000000 0.0000000 -0.0000000 0.0000000
|
||
|
|
22 -0.0000045 0.0000369 -0.0000007 0.0000058 -0.0083391 0.0679045 -0.0000217 0.0001767 -0.0083523 0.0680120
|
||
|
|
23 0.0000000 -0.0000000 0.0000000 -0.0000000 -0.0000000 0.0000000 -0.0000000 0.0000000 0.0000000 -0.0000000
|
||
|
|
24 -0.0152281 0.1239825 -0.0000078 0.0000637 0.0000205 -0.0001667 0.0078854 -0.0642007 0.0000005 -0.0000037
|
||
|
|
25 -0.0000228 0.0001854 -0.0000156 0.0001270 -0.0103704 0.0843802 0.0000312 -0.0002540 0.0103855 -0.0845035
|
||
|
|
26 0.0000000 -0.0000000 0.0000000 -0.0000000 -0.0000000 0.0000000 -0.0000000 0.0000000 0.0000000 -0.0000000
|
||
|
|
27 -0.0010049 0.0081679 -0.0068390 0.0555865 -0.0000343 0.0002788 -0.0015488 0.0125880 0.0000326 -0.0002648
|
||
|
|
28 -0.0000000 0.0000000 0.0000000 -0.0000000 -0.0000000 0.0000000 0.0000000 -0.0000000 0.0000000 -0.0000000
|
||
|
|
29 -0.0000000 0.0000000 0.0000000 -0.0000000 0.0000000 -0.0000000 -0.0000000 0.0000000 -0.0000000 0.0000000
|
||
|
|
30 -0.0000114 0.0000927 -0.0000268 0.0002182 -0.0109403 0.0889830 0.0000058 -0.0000472 0.0109406 -0.0889852
|
||
|
|
31 0.0072266 -0.0588055 -0.0036105 0.0293804 0.0000045 -0.0000367 0.0112320 -0.0913995 -0.0000096 0.0000780
|
||
|
|
32 0.0000000 -0.0000000 -0.0000000 0.0000000 0.0000000 -0.0000000 0.0000000 -0.0000000 -0.0000000 0.0000000
|
||
|
|
|
||
|
|
k-point: 7 spin: 1
|
||
|
|
|
||
|
|
band n= 1 lm= dz2 n= 1 lm= dxz n= 1 lm= dyz n= 1 lm= dx2-y2 n= 1 lm= dxy
|
||
|
|
1 0.0000000 -0.0000000 -0.0000000 0.0000000 -0.0000000 0.0000000 -0.0000000 0.0000000 -0.0000000 0.0000000
|
||
|
|
2 0.0000000 -0.0000000 0.0000000 -0.0000000 0.0000000 -0.0000000 -0.0000000 0.0000000 -0.0000000 0.0000000
|
||
|
|
3 0.0000000 -0.0000000 -0.0000000 0.0000000 0.0000000 -0.0000000 -0.0000000 0.0000000 0.0000000 -0.0000000
|
||
|
|
4 -0.2597849 0.3522453 -0.0029780 0.0040379 0.5279427 -0.7158437 0.4021794 -0.5453196 -0.0023059 0.0031265
|
||
|
|
5 0.0003695 -0.0005014 0.4475762 -0.6073257 0.0030135 -0.0040890 0.0035313 -0.0047917 0.4461490 -0.6053891
|
||
|
|
6 -0.0000000 0.0000000 -0.0000000 0.0000000 -0.0000000 0.0000000 -0.0000000 0.0000000 -0.0000000 0.0000000
|
||
|
|
7 -0.2330159 0.3163209 0.0039752 -0.0053964 -0.2383205 0.3235220 0.3284270 -0.4458423 -0.0042420 0.0057586
|
||
|
|
8 -0.4591349 0.6229892 0.0063464 -0.0086113 0.0076333 -0.0103574 -0.2537625 0.3443243 -0.0026448 0.0035886
|
||
|
|
9 -0.0080250 0.0108360 -0.3655828 0.4936379 -0.0030318 0.0040938 0.0002161 -0.0002918 0.3673121 -0.4959729
|
||
|
|
10 0.0110097 -0.0150159 0.0003450 -0.0004705 -0.0066299 0.0090424 -0.0164652 0.0224566 0.0001700 -0.0002319
|
||
|
|
11 -0.0000000 0.0000000 0.0000000 -0.0000000 0.0000000 -0.0000000 0.0000000 -0.0000000 0.0000000 -0.0000000
|
||
|
|
12 0.0000000 -0.0000000 0.0000000 -0.0000000 0.0000000 -0.0000000 -0.0000000 0.0000000 -0.0000000 0.0000000
|
||
|
|
13 0.0001409 -0.0001913 -0.0710710 0.0964787 0.0001268 -0.0001721 -0.0000100 0.0000136 -0.0713137 0.0968082
|
||
|
|
14 -0.0498012 0.0676716 0.0000764 -0.0001038 0.0342685 -0.0465653 0.0773897 -0.1051598 -0.0000386 0.0000525
|
||
|
|
15 -0.0000000 0.0000000 -0.0000000 0.0000000 0.0000000 -0.0000000 0.0000000 -0.0000000 -0.0000000 0.0000000
|
||
|
|
16 0.0195398 -0.0268494 -0.0000891 0.0001225 -0.0590975 0.0812052 -0.0299923 0.0412120 -0.0004007 0.0005506
|
||
|
|
17 -0.0550390 0.0791146 0.0000534 -0.0000768 0.0000530 -0.0000762 -0.0285922 0.0410992 0.0001275 -0.0001832
|
||
|
|
18 -0.0000000 0.0000000 -0.0000000 0.0000000 -0.0000000 0.0000000 -0.0000000 0.0000000 -0.0000000 0.0000000
|
||
|
|
19 0.0000000 -0.0000000 0.0000000 -0.0000000 -0.0000000 0.0000000 0.0000000 -0.0000000 0.0000000 -0.0000000
|
||
|
|
20 -0.0057403 0.0077720 -0.0000248 0.0000336 -0.0794672 0.1075925 0.0089318 -0.0120930 0.0001503 -0.0002035
|
||
|
|
21 -0.0000000 0.0000000 -0.0000000 0.0000000 -0.0000000 0.0000000 0.0000000 -0.0000000 0.0000000 -0.0000000
|
||
|
|
22 -0.0000221 0.0000300 -0.0406105 0.0550578 -0.0000034 0.0000047 0.0001057 -0.0001433 -0.0406747 0.0551449
|
||
|
|
23 -0.0000000 0.0000000 -0.0000000 0.0000000 0.0000000 -0.0000000 -0.0000000 0.0000000 -0.0000000 0.0000000
|
||
|
|
24 -0.0741164 0.1005500 0.0000997 -0.0001352 -0.0000380 0.0000516 -0.0383788 0.0520667 0.0000022 -0.0000029
|
||
|
|
25 -0.0001109 0.0001506 -0.0504075 0.0684593 -0.0000758 0.0001029 -0.0001517 0.0002060 0.0504810 -0.0685592
|
||
|
|
26 0.0000000 -0.0000000 -0.0000000 0.0000000 -0.0000000 0.0000000 0.0000000 -0.0000000 0.0000000 -0.0000000
|
||
|
|
27 0.0048728 -0.0066317 0.0001663 -0.0002263 0.0331622 -0.0451321 -0.0075099 0.0102206 -0.0001578 0.0002148
|
||
|
|
28 0.0000000 -0.0000000 -0.0000000 0.0000000 0.0000000 -0.0000000 -0.0000000 0.0000000 -0.0000000 0.0000000
|
||
|
|
29 -0.0000000 0.0000000 0.0000000 -0.0000000 -0.0000000 0.0000000 -0.0000000 0.0000000 -0.0000000 0.0000000
|
||
|
|
30 0.0000555 -0.0000753 0.0531956 -0.0721659 0.0001304 -0.0001769 0.0000282 -0.0000382 -0.0531969 0.0721676
|
||
|
|
31 -0.0352001 0.0476580 -0.0000219 0.0000297 0.0175865 -0.0238107 0.0547102 -0.0740731 0.0000467 -0.0000632
|
||
|
|
32 0.0000000 -0.0000000 0.0000000 -0.0000000 -0.0000000 0.0000000 -0.0000000 0.0000000 0.0000000 -0.0000000
|
||
|
|
|
||
|
|
k-point: 8 spin: 1
|
||
|
|
|
||
|
|
band n= 1 lm= dz2 n= 1 lm= dxz n= 1 lm= dyz n= 1 lm= dx2-y2 n= 1 lm= dxy
|
||
|
|
1 -0.0000000 0.0000000 0.0000000 -0.0000000 -0.0000000 0.0000000 0.0000000 -0.0000000 0.0000000 -0.0000000
|
||
|
|
2 -0.0000000 0.0000000 0.0000000 -0.0000000 -0.0000000 0.0000000 -0.0000000 0.0000000 -0.0000000 0.0000000
|
||
|
|
3 0.0000000 -0.0000000 -0.0000000 0.0000000 0.0000000 -0.0000000 -0.0000000 0.0000000 0.0000000 -0.0000000
|
||
|
|
4 0.9193809 -0.3505612 0.0001047 -0.0000399 0.0001055 -0.0000402 0.0004146 -0.0001581 0.0031088 -0.0011854
|
||
|
|
5 0.0004145 -0.0001581 -0.0001771 0.0000675 0.0001788 -0.0000682 -0.9193204 0.3505381 0.0000014 -0.0000006
|
||
|
|
6 -0.0000001 0.0000000 -0.6415065 0.2446073 0.6420946 -0.2448315 0.0002553 -0.0000973 -0.0001819 0.0000694
|
||
|
|
7 -0.0007352 0.0002803 0.6294267 -0.2400013 0.6289007 -0.2398007 0.0000010 -0.0000004 0.1786599 -0.0681232
|
||
|
|
8 -0.0028971 0.0011047 -0.1264818 0.0482277 -0.1261138 0.0480874 -0.0000001 0.0000000 0.8897825 -0.3392753
|
||
|
|
9 0.0000000 -0.0000000 -0.0000000 0.0000000 -0.0000000 0.0000000 0.0000000 -0.0000000 0.0000000 -0.0000000
|
||
|
|
10 0.0000000 -0.0000000 -0.0000000 0.0000000 0.0000000 -0.0000000 -0.0000000 0.0000000 0.0000000 -0.0000000
|
||
|
|
11 0.0000000 -0.0000000 -0.0000000 0.0000000 -0.0000000 0.0000000 0.0000000 -0.0000000 0.0000000 -0.0000000
|
||
|
|
12 -0.0959527 0.0365869 -0.0000057 0.0000022 -0.0000054 0.0000021 -0.0000555 0.0000212 0.0013106 -0.0004997
|
||
|
|
13 0.0000564 -0.0000215 -0.0000088 0.0000034 0.0000083 -0.0000032 -0.0966100 0.0368375 -0.0000008 0.0000003
|
||
|
|
14 -0.0000341 0.0000130 0.0001485 -0.0000566 0.0001487 -0.0000567 -0.0000003 0.0000001 -0.0004372 0.0001667
|
||
|
|
15 -0.0003838 0.0001463 0.0000568 -0.0000217 0.0000566 -0.0000216 0.0000005 -0.0000002 0.0005492 -0.0002094
|
||
|
|
16 -0.0000000 0.0000000 -0.0000000 0.0000000 -0.0000000 0.0000000 0.0000000 -0.0000000 0.0000000 -0.0000000
|
||
|
|
17 0.0000000 -0.0000000 0.0000001 -0.0000001 -0.0000002 0.0000001 0.0000000 -0.0000000 -0.0000000 0.0000000
|
||
|
|
18 0.0000191 -0.0000073 0.0974149 -0.0371444 0.1017636 -0.0388026 -0.0000009 0.0000003 -0.0111942 0.0042684
|
||
|
|
19 0.0000004 -0.0000001 0.1017412 -0.0387941 -0.0973925 0.0371359 0.0000369 -0.0000141 -0.0002578 0.0000983
|
||
|
|
20 0.0000329 -0.0000126 0.0078179 -0.0029810 0.0077994 -0.0029739 0.0000000 -0.0000000 0.1407493 -0.0536679
|
||
|
|
21 0.0000000 -0.0000000 -0.0000000 0.0000000 0.0000001 -0.0000000 -0.0000000 0.0000000 0.0000000 -0.0000000
|
||
|
|
22 0.0000000 -0.0000000 -0.0000000 0.0000000 -0.0000000 0.0000000 -0.0000000 0.0000000 0.0000000 -0.0000000
|
||
|
|
23 0.0000209 -0.0000080 0.0001095 -0.0000418 0.0001097 -0.0000418 -0.0000001 0.0000000 -0.0002293 0.0000874
|
||
|
|
24 -0.0000000 0.0000000 0.0000000 -0.0000000 -0.0000000 0.0000000 0.0000000 -0.0000000 0.0000000 -0.0000000
|
||
|
|
25 0.0000000 -0.0000000 -0.0000000 0.0000000 0.0000000 -0.0000000 -0.0000000 0.0000000 0.0000000 -0.0000000
|
||
|
|
26 -0.0000000 0.0000000 0.0000000 -0.0000000 -0.0000000 0.0000000 -0.0000000 0.0000000 0.0000000 -0.0000000
|
||
|
|
27 0.0000000 -0.0000000 -0.0000000 0.0000000 0.0000000 -0.0000000 -0.0000000 0.0000000 -0.0000000 0.0000000
|
||
|
|
28 0.0000000 -0.0000000 0.0000000 -0.0000000 -0.0000000 0.0000000 -0.0000000 0.0000000 0.0000000 -0.0000000
|
||
|
|
29 0.0000000 -0.0000000 0.0000000 -0.0000000 0.0000000 -0.0000000 0.0000000 -0.0000000 0.0000000 -0.0000000
|
||
|
|
30 -0.0000001 0.0000000 -0.0000518 0.0000198 0.0000518 -0.0000198 0.0000061 -0.0000023 0.0000001 -0.0000000
|
||
|
|
31 0.0000000 -0.0000000 0.0000595 -0.0000227 -0.0000580 0.0000221 0.0002120 -0.0000808 0.0000004 -0.0000002
|
||
|
|
32 -0.0000108 0.0000041 -0.0001899 0.0000724 -0.0001903 0.0000726 0.0000008 -0.0000003 -0.0000909 0.0000347
|
||
|
|
|