mirror of
https://github.com/triqs/dft_tools
synced 2024-12-24 21:33:43 +01:00
975 lines
139 KiB
Plaintext
975 lines
139 KiB
Plaintext
ISITE: 2 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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24 0.5488983 -0.4885585 -0.0000000 0.0000000 -0.0000000 0.0000000 -0.0220441 0.0196209 0.0000000 -0.0000000
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25 0.0018298 -0.0011222 -0.0000000 -0.0000000 -0.0000000 0.0000000 0.1926196 -0.1180961 0.0000000 -0.0000000
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26 -0.2259390 -0.0007474 0.0000000 0.0000000 0.0000000 -0.0000000 0.0021464 0.0000074 -0.0000000 -0.0000000
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32 -0.0000003 0.0000010 -0.0000002 -0.0000001 -0.0000000 0.0000004 -0.0000003 0.0000000 -0.0000003 0.0000000
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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 -0.0014537 0.0125914 0.0000000 0.0000000 -0.0000000 -0.0000000 0.0024278 -0.0210277 -0.0000000 0.0000000
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2 0.0000000 0.0000000 0.0000069 -0.0000377 -0.0000000 0.0000000 -0.0000000 -0.0000000 -0.0011294 0.0062168
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4 -0.0275726 -0.0115345 0.0000000 0.0000000 -0.0000000 0.0000000 0.0460464 0.0192626 -0.0000000 0.0000000
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8 -0.0000000 -0.0000000 0.0034745 -0.0008922 0.0000000 -0.0000000 0.0000000 0.0000000 0.1505372 -0.0396880
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23 0.3675154 0.5363730 -0.0000000 -0.0000000 -0.0000000 -0.0000000 0.2045843 0.2985821 -0.0000000 -0.0000000
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24 0.0256802 0.3419576 -0.0000000 -0.0000000 0.0000000 0.0000000 -0.0428861 -0.5710709 -0.0000000 -0.0000000
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27 0.0000000 -0.0000000 -0.0000000 0.0000000 -0.0440965 0.0345961 0.0000000 -0.0000000 0.0000000 -0.0000000
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28 -0.0537284 0.0538660 0.0000000 -0.0000000 0.0000000 -0.0000000 0.0897268 -0.0899565 -0.0000000 -0.0000000
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29 0.0000000 0.0000000 -0.0492377 0.0070116 -0.0000000 -0.0000000 -0.0000000 0.0000000 -0.0000016 0.0000002
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31 -0.0299276 -0.0460103 -0.0000021 0.0000007 -0.0000013 -0.0000001 0.0499798 0.0768371 -0.0000002 0.0000007
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32 -0.0083620 0.0221873 0.0000023 -0.0000022 0.0000026 -0.0000012 0.0139664 -0.0370511 0.0000008 0.0000016
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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 0.0067167 -0.0107490 0.0000000 0.0000000 0.0000000 -0.0000000 -0.0112169 0.0179510 0.0000000 -0.0000000
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2 0.0000000 0.0000000 0.0000214 -0.0000327 0.0000000 -0.0000000 0.0000000 0.0000000 -0.0033943 0.0053294
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7 0.1479150 -0.0583730 -0.0000000 0.0000000 -0.0000000 0.0000000 -0.2470197 0.0974835 -0.0000000 -0.0000000
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8 0.0000000 0.0000000 0.0032550 0.0012137 0.0000000 -0.0000000 0.0000000 0.0000000 0.1539950 -0.0228678
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31 0.0474623 -0.0275670 0.0000001 -0.0000000 -0.0000000 -0.0000001 -0.0792622 0.0460372 -0.0000001 0.0000000
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32 0.0230879 -0.0053951 0.0000017 -0.0000005 -0.0000020 0.0000002 -0.0385582 0.0090075 0.0000008 0.0000018
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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 0.0117756 -0.0046895 0.0000000 0.0000000 0.0000000 0.0000000 0.0196653 -0.0078315 -0.0000000 0.0000000
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2 -0.0000000 0.0000000 -0.0000000 -0.0000000 -0.0000060 -0.0000549 -0.0000000 -0.0000000 0.0008044 0.0062670
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3 0.0000000 -0.0000000 -0.0000000 -0.0000000 0.0042196 0.0047030 0.0000000 0.0000000 0.0000376 0.0000404
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4 -0.0061922 0.0292393 0.0000001 0.0000001 -0.0000001 0.0000000 -0.0103413 0.0488302 -0.0000005 0.0000002
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5 0.0943389 -0.2450273 0.0000001 0.0000001 -0.0000001 0.0000000 0.1575464 -0.4091969 -0.0000002 0.0000001
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32 -0.0177431 0.0157251 -0.0000026 -0.0000009 0.0000014 0.0000003 -0.0296331 0.0262647 -0.0000032 0.0000020
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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 -0.0099415 0.0025202 0.0000000 0.0000000 0.0000000 0.0000000 -0.0000005 0.0000001 -0.0306140 0.0077608
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23 -0.0618833 -0.7260608 0.0000000 0.0000000 0.0000000 0.0000000 -0.0000000 -0.0000000 -0.0007282 -0.0085436
|
|
24 0.0000000 -0.0000000 -0.0000000 0.0000000 0.0000000 -0.0000000 -0.2611268 0.5871908 0.0000000 -0.0000000
|
|
25 -0.0366626 -0.0702334 0.0000000 0.0000000 0.0000000 0.0000000 -0.0000000 -0.0000000 -0.0612447 -0.1173248
|
|
26 0.0582396 0.0139100 0.0000000 -0.0000000 -0.0000000 0.0000000 0.0000000 -0.0000000 -0.1029589 -0.0245908
|
|
27 0.0000000 -0.0000000 0.0000000 -0.0000000 0.0000000 0.0000000 0.0843693 -0.0541420 0.0000000 -0.0000000
|
|
28 -0.0000000 0.0000000 0.0153327 0.0221724 0.0153327 0.0221724 -0.0000000 0.0000000 -0.0000000 -0.0000000
|
|
29 0.0000000 -0.0000000 0.0063284 0.0069597 -0.0063284 -0.0069597 0.0000000 0.0000000 0.0000000 -0.0000000
|
|
30 0.0230309 0.0016655 0.0000000 -0.0000000 -0.0000000 0.0000000 0.0000000 -0.0000000 -0.1519880 -0.0109912
|
|
31 -0.0000006 0.0000002 -0.0000014 -0.0000004 -0.0000014 -0.0000005 0.0835119 -0.0166249 -0.0000006 -0.0000003
|
|
32 -0.0220512 0.0452937 -0.0000031 0.0000049 -0.0000012 0.0000064 0.0000027 -0.0000021 -0.0305019 0.0626383
|
|
|
|
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 0.0048653 -0.0090285 0.0000000 -0.0000000 0.0000000 0.0000000 0.0000003 -0.0000005 -0.0149822 0.0278025
|
|
2 -0.0000000 0.0000001 0.0000000 -0.0000000 0.0000000 0.0000000 0.0140023 -0.0454007 0.0000001 -0.0000003
|
|
3 0.0000000 0.0000000 -0.0022113 -0.0052514 0.0022113 0.0052514 0.0000000 -0.0000000 -0.0000000 0.0000000
|
|
4 -0.0053534 -0.0225429 0.0000001 -0.0000002 0.0000002 0.0000003 -0.0000000 -0.0000001 -0.0785781 -0.3308833
|
|
5 -0.2793675 -0.2464533 -0.0000000 0.0000000 -0.0000001 -0.0000001 0.0000000 0.0000000 -0.0492689 -0.0434642
|
|
6 0.0000000 -0.0000000 0.0000000 -0.0000000 0.0000000 0.0000000 -0.3724931 0.1187759 -0.0000000 -0.0000000
|
|
7 -0.4273834 0.1117358 0.0000000 0.0000000 -0.0000000 0.0000000 0.0000000 -0.0000000 0.0520618 -0.0136111
|
|
8 0.0000000 -0.0000000 0.0574444 0.0537688 -0.0574443 -0.0537688 -0.0000000 -0.0000000 -0.0000000 -0.0000000
|
|
9 0.0000000 0.0000000 0.0000000 -0.0000000 -0.0000000 0.0000000 0.0730374 -0.0058228 0.0000000 -0.0000000
|
|
10 0.0032444 0.0036094 0.0000000 -0.0000000 0.0000001 0.0000000 -0.0000000 0.0000000 0.0739657 0.0822891
|
|
11 -0.1894412 -0.0759987 0.0000000 0.0000000 -0.0000001 -0.0000000 0.0000001 0.0000000 -0.3251665 -0.1304481
|
|
12 -0.1516534 -0.0260108 -0.0000000 -0.0000001 0.0000002 0.0000000 0.0000005 0.0000001 0.5384525 0.0923521
|
|
13 -0.0000002 0.0000000 -0.0000000 0.0000000 -0.0000001 -0.0000000 -0.5766721 -0.0450084 0.0000005 0.0000000
|
|
14 -0.0000000 0.0000000 -0.2973520 0.1212672 0.2973520 -0.1212671 0.0000000 -0.0000000 0.0000000 0.0000000
|
|
15 -0.0000000 0.0000000 0.3819937 -0.1679472 0.3819936 -0.1679472 0.0000000 -0.0000000 0.0000000 0.0000000
|
|
16 -0.0738181 -0.0072888 -0.0000000 -0.0000000 0.0000001 -0.0000000 -0.0000000 0.0000000 0.0031359 0.0003096
|
|
17 -0.0000000 -0.0000000 0.1050147 0.2375100 -0.1050147 -0.2375100 -0.0000000 -0.0000000 -0.0000000 -0.0000000
|
|
18 -0.0000000 -0.0000000 -0.0000000 -0.0000000 0.0000000 0.0000000 -0.1725222 -0.0438714 0.0000000 0.0000000
|
|
19 -0.0000000 0.0000000 -0.0000000 0.0000000 0.0000000 -0.0000000 -0.0121359 0.0626673 0.0000000 -0.0000000
|
|
20 0.0000000 0.0000000 -0.0639723 0.5456870 0.0639723 -0.5456870 0.0000000 -0.0000000 0.0000000 0.0000000
|
|
21 0.0000000 -0.0000000 0.0330027 -0.5477916 0.0330027 -0.5477915 0.0000000 0.0000000 0.0000000 -0.0000000
|
|
22 0.0386661 0.0138832 -0.0000000 -0.0000000 -0.0000000 -0.0000000 0.0000000 0.0000000 0.5575486 0.2001901
|
|
23 -0.5785859 -0.4429811 0.0000000 0.0000000 0.0000000 0.0000000 -0.0000000 -0.0000000 0.0068083 0.0052126
|
|
24 -0.0000000 0.0000000 0.0000000 -0.0000000 -0.0000000 0.0000000 0.0724200 -0.6385418 0.0000000 -0.0000000
|
|
25 0.0760151 0.0223289 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 -0.1269831 -0.0373004
|
|
26 -0.0571104 -0.0179928 0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.1009627 -0.0318086
|
|
27 0.0000000 0.0000000 -0.0000000 0.0000000 0.0000000 -0.0000000 -0.0120951 0.0995150 0.0000000 0.0000000
|
|
28 0.0000000 0.0000000 0.0020097 0.0268825 -0.0020097 -0.0268825 -0.0000000 -0.0000000 -0.0000000 -0.0000000
|
|
29 -0.0000000 0.0000000 0.0087841 0.0033656 0.0087841 0.0033656 -0.0000000 0.0000000 0.0000000 -0.0000000
|
|
30 0.0225694 0.0048803 0.0000000 -0.0000000 0.0000000 0.0000000 -0.0000000 0.0000000 0.1489426 0.0322067
|
|
31 0.0000003 -0.0000004 0.0000019 -0.0000022 -0.0000020 0.0000021 0.0139406 -0.0840014 0.0000009 0.0000010
|
|
32 0.0495925 -0.0088768 -0.0000036 0.0000043 0.0000032 -0.0000035 0.0000009 -0.0000029 -0.0685891 0.0122739
|
|
|
|
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 0.0114199 -0.0054993 -0.0000000 -0.0000000 0.0000000 0.0000000 0.0190712 -0.0091839 -0.0000000 -0.0000000
|
|
2 -0.0000000 0.0000000 0.0000000 -0.0000000 0.0000160 0.0000597 0.0000000 -0.0000000 -0.0016444 -0.0061007
|
|
3 0.0000000 -0.0000000 0.0000000 -0.0000000 -0.0015152 -0.0061340 0.0000000 -0.0000000 -0.0000149 -0.0000599
|
|
4 0.0119673 0.0273875 -0.0000001 0.0000000 -0.0000000 0.0000000 0.0199854 0.0457373 0.0000000 -0.0000000
|
|
5 0.1195168 -0.2337818 -0.0000000 -0.0000000 -0.0000000 -0.0000000 0.1995937 -0.3904169 0.0000000 -0.0000000
|
|
6 -0.1068361 0.4876007 -0.0000000 -0.0000000 -0.0000000 -0.0000000 0.0594722 -0.2714318 0.0000000 -0.0000000
|
|
7 -0.1288503 0.0931873 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.2151813 0.1556237 0.0000000 -0.0000000
|
|
8 0.0000000 0.0000000 0.0000000 0.0000000 -0.0013654 0.0027329 0.0000000 0.0000000 -0.0748795 0.1365034
|
|
9 0.0000000 0.0000000 0.0000000 0.0000000 -0.1334250 0.0802364 0.0000000 0.0000000 0.0026766 -0.0014728
|
|
10 -0.0265275 0.0160054 0.0000000 0.0000000 0.0000000 0.0000000 -0.0443010 0.0267291 -0.0000000 0.0000000
|
|
11 -0.1733157 0.0646225 0.0000000 0.0000000 0.0000000 0.0000000 -0.2894383 0.1079200 -0.0000000 0.0000000
|
|
12 0.0000000 0.0000000 0.0000000 0.0000000 0.0000713 -0.0001072 0.0000000 0.0000000 0.0913591 -0.1364436
|
|
13 0.0000000 0.0000000 0.0000000 0.0000000 0.1571436 -0.0476365 0.0000000 0.0000000 -0.0001234 0.0000370
|
|
14 0.0000000 0.0000000 0.0000000 0.0000000 -0.5406479 0.1333950 0.0000000 0.0000000 -0.0384934 0.0095109
|
|
15 0.0000000 0.0000000 0.0000000 0.0000000 0.0325716 0.0226117 0.0000000 0.0000000 -0.4575424 -0.3174104
|
|
16 -0.0663351 0.0436810 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.1107801 0.0729476 0.0000000 -0.0000000
|
|
17 -0.0039723 0.0245750 -0.0000000 -0.0000000 -0.0000000 0.0000000 0.0022112 -0.0136801 0.0000000 -0.0000000
|
|
18 0.0000000 0.0000000 -0.0000000 0.0000000 -0.0004283 0.0018986 -0.0000000 -0.0000000 -0.0243186 0.1078047
|
|
19 0.0000000 -0.0000000 -0.0000000 0.0000000 -0.0896710 0.0645937 -0.0000000 -0.0000000 0.0015793 -0.0011376
|
|
20 -0.0000000 -0.0000000 -0.9558028 -0.1833002 0.0000000 0.0000000 0.0000000 0.0000000 -0.0000000 -0.0000000
|
|
21 -0.0000000 -0.0000000 -0.0000000 0.0000000 -0.6911981 -0.3153306 -0.0000000 -0.0000000 -0.0025628 -0.0011694
|
|
22 -0.0000000 0.0000000 0.0000000 -0.0000000 0.0011982 -0.0025495 0.0000000 -0.0000000 -0.3231788 0.6875636
|
|
23 0.4772363 0.4415984 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.2656625 -0.2458240 0.0000000 -0.0000000
|
|
24 0.0837075 -0.3325470 -0.0000000 -0.0000000 -0.0000000 0.0000000 0.1397919 -0.5553552 -0.0000000 -0.0000000
|
|
25 -0.0607982 -0.0639589 0.0000000 -0.0000000 0.0000000 -0.0000000 0.0338444 0.0356039 0.0000000 0.0000000
|
|
26 0.0607736 -0.0404095 0.0000000 -0.0000000 0.0000000 -0.0000000 0.1014923 -0.0674840 0.0000000 0.0000000
|
|
27 -0.0000000 0.0000000 -0.0430336 -0.0359096 0.0000000 0.0000000 -0.0000000 -0.0000000 -0.0000000 0.0000000
|
|
28 0.0194923 -0.0735414 -0.0000000 -0.0000000 -0.0000000 -0.0000000 0.0325522 -0.1228146 -0.0000000 0.0000000
|
|
29 0.0000000 -0.0000000 -0.0000000 -0.0000000 0.0307346 0.0391012 0.0000000 0.0000000 0.0000015 0.0000014
|
|
30 0.0000000 0.0000000 0.0000000 -0.0000000 -0.0000020 0.0000003 -0.0000000 -0.0000000 0.0475790 -0.0144829
|
|
31 -0.0066429 0.0544848 0.0000003 -0.0000005 0.0000023 -0.0000007 -0.0110955 0.0909872 0.0000010 0.0000009
|
|
32 0.0101531 0.0214255 -0.0000006 -0.0000003 -0.0000002 -0.0000042 0.0169544 0.0357832 0.0000024 0.0000035
|
|
|
|
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 -0.0093759 -0.0041565 -0.0000000 -0.0000000 0.0000000 0.0000000 -0.0000005 -0.0000002 0.0288724 0.0127996
|
|
2 0.0000001 0.0000001 0.0000000 0.0000000 0.0000000 0.0000000 -0.0326194 -0.0345437 -0.0000002 -0.0000003
|
|
3 0.0000000 -0.0000000 -0.0052675 0.0021727 0.0052675 -0.0021727 -0.0000000 -0.0000000 0.0000000 0.0000000
|
|
4 0.0081065 0.0217054 0.0000000 0.0000000 0.0000001 0.0000000 0.0000000 -0.0000000 0.1189878 0.3185908
|
|
5 0.0571178 -0.3681344 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0100732 -0.0649238
|
|
6 -0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.2788664 -0.2740298 -0.0000000 -0.0000000
|
|
7 -0.2883351 0.3346705 -0.0000000 0.0000000 -0.0000000 0.0000000 -0.0000000 0.0000000 0.0351236 -0.0407679
|
|
8 -0.0000000 0.0000000 -0.0785869 -0.0038791 0.0785869 0.0038791 0.0000000 0.0000000 -0.0000000 -0.0000000
|
|
9 -0.0000000 -0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0727458 0.0087419 0.0000000 -0.0000000
|
|
10 -0.0016685 0.0045574 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0380395 0.1039011
|
|
11 -0.0931246 0.1816359 -0.0000000 -0.0000000 -0.0000000 -0.0000000 0.0000000 -0.0000000 -0.1598438 0.3117691
|
|
12 -0.0891539 0.1254070 0.0000000 0.0000000 0.0000000 0.0000000 0.0000003 -0.0000004 0.3165450 -0.4452632
|
|
13 0.0000001 -0.0000001 -0.0000000 -0.0000000 -0.0000000 -0.0000000 0.4209675 -0.3966899 -0.0000004 0.0000004
|
|
14 0.0000000 0.0000000 0.1548728 -0.2813154 -0.1548728 0.2813154 -0.0000000 0.0000000 0.0000000 0.0000000
|
|
15 -0.0000000 -0.0000000 -0.0725145 -0.4109344 -0.0725145 -0.4109344 0.0000000 0.0000000 -0.0000000 -0.0000000
|
|
16 -0.0506010 0.0542381 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0021496 -0.0023042
|
|
17 -0.0000000 0.0000000 -0.2181373 0.1409084 0.2181373 -0.1409084 0.0000000 -0.0000000 0.0000000 -0.0000000
|
|
18 -0.0000000 0.0000000 -0.0000000 0.0000000 0.0000000 -0.0000000 -0.0751980 0.1613501 0.0000000 -0.0000000
|
|
19 -0.0000000 0.0000000 -0.0000000 0.0000000 0.0000000 -0.0000000 -0.0138021 0.0623215 0.0000000 -0.0000000
|
|
20 0.0000000 0.0000000 -0.3074963 -0.4553161 0.3074963 0.4553162 0.0000000 0.0000000 0.0000000 -0.0000000
|
|
21 -0.0000000 -0.0000000 -0.5313799 -0.1371138 -0.5313799 -0.1371137 0.0000000 -0.0000000 -0.0000000 -0.0000000
|
|
22 0.0208805 -0.0353810 -0.0000000 0.0000000 -0.0000000 0.0000000 0.0000000 -0.0000000 0.3010873 -0.5101793
|
|
23 0.7236963 -0.0851910 -0.0000000 0.0000000 -0.0000000 0.0000000 0.0000000 -0.0000000 -0.0085158 0.0010024
|
|
24 -0.0000000 -0.0000000 0.0000000 0.0000000 -0.0000000 -0.0000000 0.1536295 0.6240018 0.0000000 0.0000000
|
|
25 -0.0740438 -0.0281849 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 0.1236901 0.0470828
|
|
26 -0.0129538 -0.0584597 -0.0000000 0.0000000 0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0229005 -0.1033481
|
|
27 -0.0000000 -0.0000000 -0.0000000 -0.0000000 0.0000000 0.0000000 -0.0656123 -0.0757929 0.0000000 -0.0000000
|
|
28 -0.0000000 -0.0000000 -0.0099758 -0.0250437 0.0099758 0.0250437 0.0000000 0.0000000 -0.0000000 -0.0000000
|
|
29 0.0000000 0.0000000 -0.0083471 -0.0043373 -0.0083471 -0.0043373 0.0000000 0.0000000 0.0000000 0.0000000
|
|
30 0.0113783 -0.0200930 -0.0000000 0.0000000 -0.0000000 -0.0000000 -0.0000000 0.0000000 0.0750891 -0.1326001
|
|
31 0.0000001 -0.0000000 -0.0000002 -0.0000002 0.0000002 0.0000002 -0.0209896 0.0825233 0.0000003 0.0000005
|
|
32 0.0496645 0.0084871 -0.0000009 0.0000004 0.0000010 -0.0000007 -0.0000006 -0.0000010 -0.0686846 -0.0117362
|
|
|
|
k-point: 9 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 0.0089476 -0.0050125 -0.0000000 0.0000000 0.0000000 -0.0000000 0.0000005 -0.0000003 0.0275534 -0.0154356
|
|
2 -0.0000000 -0.0000001 -0.0000000 0.0000000 -0.0000000 0.0000000 0.0062839 0.0470936 -0.0000000 -0.0000004
|
|
3 0.0000000 0.0000000 0.0054671 -0.0016057 0.0054670 -0.0016057 -0.0000000 0.0000000 0.0000000 0.0000000
|
|
4 0.0226248 0.0049953 -0.0000001 0.0000000 -0.0000001 0.0000001 -0.0000001 -0.0000000 -0.3320875 -0.0733218
|
|
5 0.3540011 -0.1160545 0.0000000 0.0000000 0.0000000 -0.0000000 0.0000000 0.0000000 -0.0624312 0.0204672
|
|
6 0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 0.0000000 -0.3640041 -0.1426878 0.0000000 0.0000000
|
|
7 -0.4330643 0.0871593 0.0000000 0.0000000 0.0000000 -0.0000000 0.0000000 0.0000000 -0.0527538 0.0106173
|
|
8 0.0000000 0.0000000 -0.0683653 0.0389503 -0.0683653 0.0389503 0.0000000 0.0000000 -0.0000000 0.0000000
|
|
9 -0.0000000 -0.0000000 -0.0000000 0.0000000 -0.0000000 0.0000000 -0.0710390 0.0179398 0.0000000 -0.0000000
|
|
10 -0.0048525 0.0000894 -0.0000000 0.0000000 -0.0000000 0.0000000 -0.0000000 -0.0000000 0.1106268 -0.0020383
|
|
11 -0.2016902 -0.0313822 -0.0000000 0.0000000 -0.0000000 0.0000000 0.0000000 -0.0000000 0.3461913 0.0538660
|
|
12 -0.1520420 -0.0236339 0.0000000 -0.0000000 0.0000000 -0.0000000 0.0000006 0.0000001 -0.5398321 -0.0839132
|
|
13 0.0000002 0.0000000 -0.0000000 0.0000000 -0.0000000 0.0000000 0.5506471 0.1770995 0.0000005 0.0000002
|
|
14 -0.0000000 -0.0000000 0.3072619 0.0933492 0.3072619 0.0933492 -0.0000000 -0.0000000 0.0000000 -0.0000000
|
|
15 -0.0000000 0.0000000 -0.4143474 -0.0494131 0.4143474 0.0494131 0.0000000 0.0000000 -0.0000000 0.0000000
|
|
16 0.0675512 0.0306442 -0.0000000 0.0000000 0.0000000 0.0000000 -0.0000000 -0.0000000 0.0028697 0.0013018
|
|
17 0.0000000 0.0000000 -0.2225480 -0.1338337 -0.2225480 -0.1338337 0.0000000 0.0000000 0.0000000 0.0000000
|
|
18 0.0000000 -0.0000000 -0.0000000 0.0000000 0.0000000 -0.0000000 0.0068112 -0.1778826 0.0000000 -0.0000000
|
|
19 0.0000000 -0.0000000 -0.0000000 0.0000000 0.0000000 -0.0000000 0.0314290 -0.0555579 0.0000000 -0.0000000
|
|
20 0.0000000 0.0000000 0.2680391 0.4796058 0.2680391 0.4796059 0.0000000 -0.0000000 0.0000000 0.0000000
|
|
21 -0.0000000 -0.0000000 0.3931449 0.3828862 -0.3931449 -0.3828862 -0.0000000 -0.0000000 0.0000000 0.0000000
|
|
22 0.0118923 -0.0393241 0.0000000 -0.0000000 0.0000000 -0.0000000 0.0000000 -0.0000000 -0.1714822 0.5670365
|
|
23 0.5068579 0.5235351 -0.0000000 -0.0000000 -0.0000000 -0.0000000 0.0000000 0.0000000 0.0059642 0.0061605
|
|
24 -0.0000000 0.0000000 0.0000000 -0.0000000 -0.0000000 0.0000000 0.0825363 -0.6373131 -0.0000000 0.0000000
|
|
25 -0.0708823 -0.0353918 0.0000000 0.0000000 0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.1184087 -0.0591220
|
|
26 0.0069787 0.0594696 0.0000000 0.0000000 -0.0000000 -0.0000000 -0.0000000 0.0000000 -0.0123372 -0.1051335
|
|
27 -0.0000000 0.0000000 -0.0000000 0.0000000 0.0000000 0.0000000 -0.0924764 -0.0386994 -0.0000000 -0.0000000
|
|
28 0.0000000 0.0000000 -0.0011585 -0.0269326 -0.0011585 -0.0269326 -0.0000000 -0.0000000 -0.0000000 0.0000000
|
|
29 -0.0000000 -0.0000000 -0.0061539 0.0071146 0.0061539 -0.0071146 0.0000000 0.0000000 -0.0000000 -0.0000000
|
|
30 -0.0189930 0.0131325 0.0000000 0.0000000 0.0000000 -0.0000000 0.0000000 -0.0000000 0.1253407 -0.0866652
|
|
31 0.0000014 -0.0000004 -0.0000034 -0.0000037 -0.0000034 -0.0000034 -0.0585385 0.0618368 0.0000027 -0.0000001
|
|
32 0.0474784 0.0168323 0.0000111 0.0000138 0.0000123 0.0000137 0.0000020 0.0000030 0.0656602 0.0232771
|
|
|
|
k-point: 10 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 0.0238484 0.0028910 -0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 -0.0000000 0.0000000 -0.0000000
|
|
2 0.0000000 0.0000000 -0.0000034 -0.0000029 -0.0055837 0.0029577 0.0000000 -0.0000000 0.0000000 -0.0000000
|
|
3 0.0000000 0.0000000 0.0061245 0.0015545 -0.0000026 0.0000036 0.0000000 -0.0000000 0.0000000 -0.0000000
|
|
4 -0.0530663 -0.0198209 0.0000002 0.0000000 -0.0000000 -0.0000000 -0.0000001 0.0000001 -0.0000002 0.0000000
|
|
5 -0.4958559 -0.0420189 -0.0000000 -0.0000000 0.0000000 0.0000000 0.0000000 -0.0000001 0.0000000 -0.0000000
|
|
6 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 0.0000000 0.5588202 0.1816896 0.0000000 -0.0000000
|
|
7 -0.2981268 -0.0442012 0.0000000 0.0000000 -0.0000000 -0.0000000 -0.0000001 0.0000000 -0.0000000 -0.0000000
|
|
8 0.0000000 0.0000000 0.0568589 0.1233998 -0.0383783 -0.0656970 0.0000000 -0.0000000 0.0000000 0.0000000
|
|
9 -0.0000000 -0.0000000 -0.0312063 -0.0693914 -0.0674567 -0.1179409 -0.0000000 0.0000000 -0.0000000 -0.0000000
|
|
10 -0.0506174 -0.0297646 -0.0000000 -0.0000000 0.0000000 0.0000000 0.0000000 -0.0000000 0.0000000 0.0000000
|
|
11 -0.2381631 -0.2572602 -0.0000000 -0.0000000 0.0000000 0.0000000 0.0000000 -0.0000000 0.0000000 0.0000000
|
|
12 -0.0000000 -0.0000000 0.1310127 0.0989901 0.0000783 0.0000153 -0.0000000 0.0000000 -0.0000000 -0.0000000
|
|
13 0.0000000 0.0000000 -0.0000644 -0.0000470 0.1616460 0.0288775 0.0000000 -0.0000000 0.0000000 0.0000000
|
|
14 0.0000000 0.0000000 -0.4279080 -0.3573898 -0.0272174 0.0096473 0.0000000 -0.0000000 0.0000000 0.0000000
|
|
15 -0.0000000 -0.0000000 0.0240306 0.0160121 -0.5023320 0.2418580 -0.0000000 0.0000000 -0.0000000 -0.0000000
|
|
16 0.1476598 0.0292827 -0.0000001 0.0000000 0.0000000 0.0000000 0.0000000 -0.0000001 0.0000000 0.0000000
|
|
17 0.0000000 -0.0000000 0.0000000 -0.0000000 -0.0000000 0.0000000 0.0206397 -0.0208035 0.0000000 0.0000000
|
|
18 0.0000000 0.0000000 0.0794091 0.0768845 0.0000277 0.0000268 -0.0000000 -0.0000000 0.0000000 0.0000000
|
|
19 -0.0000000 -0.0000000 0.0000383 0.0000038 -0.1099844 -0.0109760 -0.0000000 -0.0000000 -0.0000000 -0.0000000
|
|
20 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.5611965 0.7951203
|
|
21 -0.0000000 0.0000000 -0.0001685 0.0002131 -0.4667031 0.5994866 -0.0000000 0.0000000 0.0000000 -0.0000000
|
|
22 -0.0000000 0.0000000 -0.0848183 0.7549847 0.0000283 -0.0002701 0.0000000 -0.0000000 0.0000000 -0.0000000
|
|
23 -0.0000000 0.0000000 -0.0000000 0.0000000 0.0000000 -0.0000000 -0.7603683 0.0877228 0.0000000 0.0000000
|
|
24 -0.2680395 0.5920943 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 0.0428119 0.0946488 0.0000000 0.0000000
|
|
26 0.1106722 -0.0829755 -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 -0.0129238 0.0545378
|
|
28 -0.1181064 -0.0827253 0.0000000 -0.0000000 0.0000000 0.0000000 -0.0000000 0.0000000 -0.0000000 -0.0000000
|
|
29 -0.0000000 0.0000000 -0.0000185 0.0000957 0.0091801 -0.0488798 0.0000000 0.0000000 0.0000000 0.0000000
|
|
30 0.0000000 -0.0000000 -0.0168869 0.0467797 -0.0000326 0.0000919 -0.0000000 0.0000000 0.0000000 -0.0000000
|
|
31 0.0912338 0.0499823 -0.0000003 -0.0000001 0.0000001 0.0000002 0.0000002 0.0000001 0.0000001 -0.0000003
|
|
32 0.0419899 0.0160088 -0.0000042 -0.0000006 0.0000013 0.0000033 0.0000011 0.0000000 -0.0000010 -0.0000016
|
|
|
|
k-point: 11 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 0.0051745 -0.0017049 -0.0299961 0.0098832 -0.0000000 -0.0000000 0.0086017 -0.0028341 0.0000000 0.0000000
|
|
2 -0.0343019 0.0210596 0.0000005 -0.0000003 -0.0000000 0.0000000 0.0190031 -0.0116669 -0.0000000 -0.0000000
|
|
3 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0053613 -0.0019295 0.0000000 0.0000000 -0.0053613 -0.0019295
|
|
4 0.0111974 0.0051141 0.3093482 0.1412866 0.0000001 -0.0000000 0.0186101 0.0084997 0.0000002 0.0000001
|
|
5 0.1634694 0.1115943 0.0542623 0.0370428 -0.0000000 -0.0000000 0.2716873 0.1854705 0.0000000 0.0000000
|
|
6 -0.3287597 -0.0403450 0.0000000 0.0000000 -0.0000000 -0.0000000 0.1821336 0.0223512 0.0000000 0.0000000
|
|
7 0.2261558 -0.0627451 -0.0518529 0.0143862 -0.0000000 -0.0000000 0.3758725 -0.1042829 0.0000001 0.0000000
|
|
8 -0.0000000 -0.0000000 -0.0000000 0.0000000 0.0535846 0.0576163 0.0000000 -0.0000000 0.0535846 0.0576163
|
|
9 -0.0586314 -0.0203807 0.0000000 0.0000000 -0.0000000 -0.0000000 0.0324819 0.0112909 0.0000000 0.0000000
|
|
10 0.0024616 -0.0007677 0.1056272 -0.0329443 0.0000000 0.0000000 0.0040912 -0.0012760 -0.0000000 -0.0000000
|
|
11 -0.0747045 0.0786119 -0.2413475 0.2539712 0.0000000 0.0000000 -0.1241594 0.1306537 -0.0000000 -0.0000001
|
|
12 -0.0495520 0.0650180 0.3311519 -0.4345094 -0.0000000 0.0000000 -0.0823574 0.1080624 -0.0000000 0.0000001
|
|
13 0.4666130 -0.1496885 -0.0000012 0.0000004 -0.0000000 -0.0000000 -0.2585042 0.0829276 0.0000000 0.0000000
|
|
14 -0.0000000 0.0000000 0.0000000 0.0000000 -0.0391107 -0.3187386 -0.0000000 -0.0000000 -0.0391107 -0.3187385
|
|
15 -0.0000000 0.0000000 0.0000000 0.0000000 0.2658556 -0.3216306 0.0000000 -0.0000000 -0.2658556 0.3216306
|
|
16 -0.0017948 -0.0393690 0.0001435 0.0031480 -0.0000000 -0.0000000 -0.0029830 -0.0654316 -0.0000001 0.0000000
|
|
17 -0.0000000 -0.0000000 0.0000000 0.0000000 -0.2565650 -0.0401683 0.0000000 0.0000000 -0.2565650 -0.0401683
|
|
18 -0.1421434 0.0503882 0.0000000 -0.0000000 0.0000000 -0.0000000 0.0787478 -0.0279151 0.0000000 -0.0000000
|
|
19 0.0515882 0.0162174 0.0000000 0.0000000 0.0000000 0.0000000 -0.0285800 -0.0089845 0.0000000 0.0000000
|
|
20 -0.0000000 0.0000000 -0.0000000 0.0000000 -0.1868246 0.5166867 -0.0000000 0.0000000 -0.1868235 0.5166836
|
|
21 -0.0000000 0.0000000 0.0000000 -0.0000000 -0.5038460 0.2174904 -0.0000000 0.0000000 0.5038491 -0.2174918
|
|
22 -0.0218250 0.0003071 -0.5923403 0.0083342 -0.0000000 0.0000000 -0.0362733 0.0005104 0.0000000 -0.0000000
|
|
23 0.3860531 -0.0291359 -0.0085503 0.0006453 -0.0000000 0.0000000 0.6416229 -0.0484242 0.0000000 -0.0000000
|
|
24 0.4447271 0.3140452 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.2463797 -0.1739817 -0.0000000 -0.0000000
|
|
25 0.0030957 -0.0419788 -0.0097335 0.1319897 0.0000000 0.0000000 0.0051451 -0.0697690 0.0000000 -0.0000000
|
|
26 0.0224854 -0.0225046 0.0748187 -0.0748827 0.0000000 0.0000000 0.0373708 -0.0374028 -0.0000000 -0.0000000
|
|
27 0.0643535 0.0554205 -0.0000000 -0.0000000 0.0000000 0.0000000 -0.0356520 -0.0307031 0.0000000 -0.0000000
|
|
28 -0.0000000 0.0000000 0.0000000 0.0000000 -0.0194433 -0.0186725 -0.0000000 0.0000000 -0.0194433 -0.0186725
|
|
29 0.0000000 0.0000000 0.0000000 -0.0000000 -0.0093597 0.0009399 0.0000000 0.0000000 0.0093597 -0.0009399
|
|
30 0.0108021 -0.0058157 0.1341748 -0.0722377 -0.0000000 -0.0000000 0.0179532 -0.0096657 0.0000000 -0.0000000
|
|
31 -0.0335813 0.0638457 -0.0000003 -0.0000002 -0.0000006 0.0000044 0.0186034 -0.0353707 -0.0000007 0.0000039
|
|
32 0.0129880 -0.0234050 -0.0338181 0.0609165 0.0000074 0.0000189 0.0215852 -0.0388940 0.0000063 0.0000168
|
|
|
|
k-point: 12 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 0.0008075 0.0053879 0.0046811 0.0312335 0.0000000 -0.0000000 0.0013424 0.0089566 0.0000000 -0.0000000
|
|
2 -0.0207618 -0.0344829 -0.0000003 -0.0000006 0.0000000 0.0000000 0.0115020 0.0191034 -0.0000000 0.0000000
|
|
3 0.0000000 -0.0000000 0.0000000 0.0000000 -0.0056961 0.0001456 -0.0000000 0.0000000 0.0056961 -0.0001456
|
|
4 0.0002393 -0.0123078 -0.0066133 0.3400214 -0.0000002 -0.0000002 0.0003978 -0.0204555 0.0000002 0.0000002
|
|
5 -0.0787120 0.1816039 0.0261278 -0.0602819 -0.0000000 -0.0000000 -0.1308199 0.3018269 0.0000000 -0.0000000
|
|
6 0.3308887 -0.0149444 0.0000000 0.0000000 -0.0000000 -0.0000000 -0.1833131 0.0082792 0.0000000 0.0000000
|
|
7 -0.2344084 -0.0116666 -0.0537451 -0.0026749 -0.0000000 -0.0000000 -0.3895884 -0.0193900 0.0000000 -0.0000000
|
|
8 0.0000000 -0.0000000 -0.0000000 -0.0000000 0.0540207 -0.0572076 0.0000000 -0.0000000 -0.0540207 0.0572076
|
|
9 -0.0601452 -0.0153481 -0.0000000 -0.0000000 0.0000000 0.0000000 0.0333206 0.0085029 -0.0000000 0.0000000
|
|
10 -0.0021346 0.0014465 0.0915973 -0.0620675 -0.0000000 -0.0000000 -0.0035478 0.0024040 0.0000000 -0.0000000
|
|
11 -0.0901265 -0.0603143 0.2911712 0.1948572 0.0000000 0.0000000 -0.1497909 -0.1002429 -0.0000000 0.0000000
|
|
12 0.0789973 0.0210278 0.5279320 0.1405269 0.0000000 -0.0000000 0.1312966 0.0349490 -0.0000000 0.0000000
|
|
13 0.3391403 -0.3537205 0.0000009 -0.0000010 0.0000000 0.0000000 -0.1878842 0.1959616 -0.0000000 0.0000000
|
|
14 0.0000000 0.0000000 0.0000000 0.0000000 -0.2396321 0.2137766 -0.0000000 0.0000000 0.2396320 -0.2137766
|
|
15 0.0000000 0.0000000 0.0000000 0.0000000 -0.2891750 0.3008376 -0.0000000 0.0000000 -0.2891750 0.3008375
|
|
16 0.0132586 -0.0371126 0.0010602 -0.0029675 -0.0000000 -0.0000001 0.0220359 -0.0616815 0.0000000 -0.0000000
|
|
17 0.0000000 -0.0000000 0.0000000 -0.0000000 0.2321364 -0.1164122 -0.0000000 0.0000000 -0.2321363 0.1164122
|
|
18 -0.1251119 -0.0842065 -0.0000000 -0.0000000 0.0000000 0.0000000 0.0693123 0.0466506 -0.0000000 -0.0000000
|
|
19 0.0461768 -0.0281434 -0.0000000 0.0000000 0.0000000 -0.0000000 -0.0255821 0.0155915 -0.0000000 0.0000000
|
|
20 -0.0000000 -0.0000000 0.0000000 0.0000000 -0.3410545 -0.4307557 -0.0000000 -0.0000000 0.3410524 0.4307530
|
|
21 0.0000000 -0.0000000 0.0000000 -0.0000000 0.2715026 -0.4769164 0.0000000 -0.0000000 0.2715043 -0.4769193
|
|
22 0.0075332 0.0204860 -0.2044533 -0.5559994 0.0000000 0.0000000 0.0125202 0.0340479 0.0000000 0.0000000
|
|
23 -0.1912074 -0.3366387 -0.0042348 -0.0074559 0.0000000 0.0000000 -0.3177880 -0.5594959 0.0000000 0.0000000
|
|
24 -0.3334086 0.4304014 0.0000000 -0.0000000 0.0000000 -0.0000000 0.1847090 -0.2384432 -0.0000000 0.0000000
|
|
25 -0.0262447 0.0329093 -0.0825184 0.1034733 0.0000000 -0.0000000 -0.0436188 0.0546954 0.0000000 -0.0000000
|
|
26 0.0316681 0.0030296 -0.1053738 -0.0100809 0.0000000 -0.0000000 0.0526326 0.0050353 -0.0000000 0.0000000
|
|
27 0.0777686 -0.0341298 0.0000000 -0.0000000 0.0000000 -0.0000000 -0.0430840 0.0189080 -0.0000000 0.0000000
|
|
28 -0.0000000 0.0000000 0.0000000 -0.0000000 -0.0230217 -0.0140252 -0.0000000 -0.0000000 0.0230217 0.0140252
|
|
29 0.0000000 0.0000000 0.0000000 0.0000000 -0.0094052 -0.0001731 0.0000000 0.0000000 -0.0094052 -0.0001731
|
|
30 0.0118033 0.0033448 -0.1466120 -0.0415463 0.0000000 -0.0000000 0.0196173 0.0055591 -0.0000000 0.0000000
|
|
31 -0.0721346 0.0006811 0.0000006 0.0000000 -0.0000037 -0.0000016 0.0399644 -0.0003778 0.0000036 0.0000013
|
|
32 -0.0266355 -0.0026768 -0.0693256 -0.0069809 0.0000109 -0.0000089 -0.0442622 -0.0044549 -0.0000092 0.0000105
|
|
|
|
k-point: 13 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 -0.0003807 0.0054343 -0.0000000 -0.0000000 0.0022073 -0.0315052 0.0006330 -0.0090347 -0.0000000 -0.0000000
|
|
2 -0.0202207 -0.0348031 0.0000000 0.0000000 0.0000005 0.0000009 -0.0112021 -0.0192807 -0.0000000 -0.0000000
|
|
3 0.0000000 0.0000000 -0.0051380 0.0024632 0.0000000 0.0000000 0.0000000 0.0000000 -0.0051381 0.0024632
|
|
4 -0.0121638 0.0018914 0.0000001 -0.0000001 -0.3360471 0.0522550 0.0202163 -0.0031436 -0.0000001 -0.0000001
|
|
5 -0.0869577 0.1778030 0.0000000 0.0000000 -0.0288649 0.0590202 0.1445242 -0.2955099 -0.0000000 -0.0000000
|
|
6 0.1872797 -0.2731977 -0.0000000 0.0000000 -0.0000000 -0.0000000 0.1037534 -0.1513521 0.0000000 -0.0000000
|
|
7 -0.2003021 0.1223212 -0.0000000 -0.0000000 0.0459252 -0.0280458 0.3329035 -0.2032986 -0.0000000 -0.0000000
|
|
8 -0.0000000 -0.0000000 0.0251909 0.0745410 -0.0000000 -0.0000000 0.0000000 0.0000000 0.0251909 0.0745410
|
|
9 -0.0158048 0.0600269 0.0000000 -0.0000000 0.0000000 0.0000000 -0.0087559 0.0332550 -0.0000000 0.0000000
|
|
10 -0.0012197 0.0022718 0.0000000 0.0000000 -0.0523389 0.0974837 0.0020272 -0.0037758 -0.0000000 0.0000000
|
|
11 -0.0382198 0.1014882 0.0000000 0.0000000 -0.1234766 0.3278774 0.0635216 -0.1686742 -0.0000000 0.0000000
|
|
12 -0.0078067 0.0813749 -0.0000000 -0.0000000 0.0521713 -0.5438182 0.0129750 -0.1352472 0.0000000 -0.0000000
|
|
13 -0.4793712 -0.1016736 0.0000000 -0.0000000 0.0000008 0.0000002 -0.2655725 -0.0563274 -0.0000000 0.0000000
|
|
14 0.0000000 -0.0000000 0.1081910 -0.3023552 -0.0000000 -0.0000000 0.0000000 0.0000000 0.1081910 -0.3023552
|
|
15 0.0000000 -0.0000000 -0.1992612 -0.3666339 -0.0000000 0.0000000 0.0000000 0.0000000 0.1992612 0.3666338
|
|
16 -0.0104232 0.0380065 -0.0000000 0.0000000 0.0008334 -0.0030390 0.0173235 -0.0631671 0.0000000 -0.0000000
|
|
17 -0.0000000 -0.0000000 -0.1048285 -0.2375922 0.0000000 0.0000000 -0.0000000 -0.0000000 -0.1048285 -0.2375922
|
|
18 0.0612592 0.1378079 -0.0000000 -0.0000000 -0.0000000 -0.0000000 0.0339378 0.0763459 -0.0000000 -0.0000000
|
|
19 -0.0299063 0.0450551 -0.0000000 0.0000000 -0.0000000 0.0000000 -0.0165682 0.0249606 -0.0000000 0.0000000
|
|
20 0.0000000 0.0000000 0.4041511 0.3721968 0.0000000 0.0000000 -0.0000000 -0.0000000 0.4041486 0.3721946
|
|
21 -0.0000000 -0.0000000 -0.2168397 -0.5041265 0.0000000 0.0000000 0.0000000 0.0000000 0.2168410 0.5041295
|
|
22 0.0021294 0.0217231 0.0000000 0.0000000 0.0577942 0.5895730 -0.0035392 -0.0361039 -0.0000000 -0.0000000
|
|
23 -0.3315318 -0.1999314 0.0000000 0.0000000 0.0073427 0.0044281 0.5510081 0.3322874 -0.0000000 -0.0000000
|
|
24 -0.3867912 -0.3831438 0.0000000 0.0000000 0.0000000 0.0000000 -0.2142831 -0.2122625 0.0000000 -0.0000000
|
|
25 -0.0011101 -0.0420781 -0.0000000 0.0000000 0.0034904 0.1323021 0.0018450 0.0699341 -0.0000000 -0.0000000
|
|
26 -0.0008425 -0.0318015 -0.0000000 -0.0000000 -0.0028034 -0.1058177 0.0014003 0.0528544 0.0000000 -0.0000000
|
|
27 -0.0086336 0.0844882 -0.0000000 0.0000000 0.0000000 -0.0000000 -0.0047830 0.0468067 -0.0000000 0.0000000
|
|
28 0.0000000 0.0000000 0.0190590 -0.0190646 -0.0000000 -0.0000000 -0.0000000 -0.0000000 0.0190590 -0.0190646
|
|
29 -0.0000000 -0.0000000 -0.0018928 0.0092144 0.0000000 0.0000000 0.0000000 0.0000000 0.0018928 -0.0092144
|
|
30 0.0115430 -0.0041553 0.0000000 -0.0000000 0.1433778 -0.0516135 -0.0191845 0.0069061 0.0000000 0.0000000
|
|
31 -0.0206330 0.0691253 -0.0000016 -0.0000009 0.0000004 0.0000001 -0.0114299 0.0382950 -0.0000015 -0.0000008
|
|
32 0.0238368 -0.0121560 -0.0000152 -0.0000089 -0.0620710 0.0316537 -0.0396298 0.0202065 -0.0000154 -0.0000075
|
|
|
|
k-point: 14 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 0.0000004 0.0000012 0.0062135 0.0192676 0.0062136 0.0192678 0.0000002 0.0000005 0.0062137 0.0192682
|
|
2 0.0076404 0.0002549 -0.0102004 -0.0003369 0.0082074 0.0002704 0.0407576 0.0013445 0.0019919 0.0000665
|
|
3 0.0136754 -0.0384184 -0.0012049 0.0033829 -0.0023615 0.0066360 -0.0025609 0.0072030 0.0035657 -0.0100172
|
|
4 -0.0000000 0.0000000 -0.1622372 0.0647848 -0.1622371 0.0647848 -0.0000000 0.0000000 -0.1622370 0.0647848
|
|
5 0.0000000 0.0000000 0.1032108 0.0133200 0.1032108 0.0133200 -0.0000000 0.0000000 0.1032108 0.0133200
|
|
6 0.2701344 0.2376344 -0.0203057 -0.0178536 -0.0426705 -0.0375459 -0.0553870 -0.0487684 0.0629762 0.0553995
|
|
7 -0.0224452 -0.0703014 0.0246772 0.0774019 -0.0194446 -0.0610126 -0.1092687 -0.3427872 -0.0052326 -0.0163893
|
|
8 -0.0184450 -0.0450193 -0.0331882 -0.0808000 -0.0428950 -0.1048982 0.0013586 0.0033730 0.0760831 0.1856982
|
|
9 -0.0025606 -0.0025819 -0.1269262 -0.1294491 0.1163642 0.1187990 -0.0340530 -0.0347469 0.0105621 0.0106501
|
|
10 0.0000000 -0.0000000 -0.0623105 -0.0444558 -0.0623105 -0.0444558 0.0000000 -0.0000000 -0.0623105 -0.0444558
|
|
11 -0.0000000 0.0000001 0.0266804 -0.1912649 0.0266804 -0.1912649 0.0000000 -0.0000000 0.0266804 -0.1912650
|
|
12 -0.1293059 -0.1073315 0.0366337 0.0304459 -0.0516523 -0.0429122 0.4388582 0.3646539 0.0150184 0.0124662
|
|
13 -0.1470318 0.5513171 -0.0129026 0.0483472 -0.0041746 0.0156867 -0.0433857 0.1623507 0.0170772 -0.0640336
|
|
14 0.0000000 0.0000001 -0.1253193 -0.3210190 -0.1253193 -0.3210190 -0.0000000 -0.0000000 -0.1253193 -0.3210191
|
|
15 0.0071199 0.1062898 -0.0161604 -0.2501061 -0.0174786 -0.2520752 -0.0001611 -0.0002406 0.0336390 0.5021813
|
|
16 -0.0001978 -0.0002114 0.4174386 0.1274766 -0.4165040 -0.1264776 -0.1019076 -0.0310332 -0.0009347 -0.0009989
|
|
17 0.0041109 -0.0082498 0.0081518 -0.0163589 -0.0089923 0.0180457 -0.0484096 0.0971479 0.0008405 -0.0016868
|
|
18 0.1007525 0.0403748 -0.0118153 -0.0047348 -0.0087852 -0.0035205 0.0085559 0.0034287 0.0206005 0.0082553
|
|
19 0.0000000 0.0000000 -0.0000000 -0.0000000 0.0000000 0.0000000 -0.0000000 -0.0000000 0.0000000 0.0000000
|
|
20 -0.0000001 -0.0000002 -0.2167629 -0.2946552 -0.2167630 -0.2946553 0.0000000 0.0000000 -0.2167601 -0.2946513
|
|
21 -0.0003468 0.0001961 0.3958549 -0.2238780 -0.4003201 0.2264033 0.0356986 -0.0201895 0.0044653 -0.0025254
|
|
22 -0.0261939 -0.0315576 -0.1714787 -0.2065922 -0.1658039 -0.1997553 -0.0002544 -0.0003066 0.3372870 0.4063527
|
|
23 -0.0096809 -0.0302120 0.0052672 0.0164376 -0.0049832 -0.0155513 -0.2017229 -0.6295322 -0.0002840 -0.0008863
|
|
24 0.6560622 0.0811500 -0.0088236 -0.0010914 -0.0104235 -0.0012893 -0.0314852 -0.0038945 0.0192471 0.0023807
|
|
25 0.0000000 0.0000000 -0.0300544 -0.0660950 -0.0300544 -0.0660950 -0.0000000 -0.0000000 -0.0300544 -0.0660950
|
|
26 0.0000060 0.0000009 -0.0608252 -0.0091094 0.0604451 0.0090524 0.0010985 0.0001645 0.0003801 0.0000570
|
|
27 -0.0010961 0.0001797 0.0346033 -0.0056730 0.0352603 -0.0057808 0.0000059 -0.0000010 -0.0698636 0.0114538
|
|
28 -0.0006564 -0.0000541 -0.0544685 -0.0045077 0.0559793 0.0046321 0.0277076 0.0022928 -0.0015107 -0.0001244
|
|
29 -0.0176534 -0.0214784 0.0211472 0.0257301 0.0194809 0.0237011 -0.0004180 -0.0005090 -0.0406281 -0.0494312
|
|
30 -0.0000001 -0.0000001 -0.0421192 0.0948195 -0.0421190 0.0948194 0.0000000 0.0000001 -0.0421193 0.0948193
|
|
31 -0.0000038 0.0000031 -0.0679338 0.0124140 -0.0679349 0.0124029 -0.0000000 -0.0000024 -0.0679464 0.0124196
|
|
32 -0.0038047 -0.0232159 0.0798685 0.0609347 -0.0712353 -0.0082908 -0.0384739 -0.0176272 -0.0086290 -0.0526366
|
|
|
|
k-point: 15 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 0.0000006 0.0000012 -0.0091867 -0.0180403 0.0091868 0.0180405 0.0000002 0.0000004 -0.0091869 -0.0180409
|
|
2 0.0005670 0.0079996 0.0007178 0.0102134 0.0005699 0.0081267 0.0028512 0.0406078 -0.0001478 -0.0020856
|
|
3 0.0144403 0.0380605 0.0012416 0.0032691 -0.0025242 -0.0066564 -0.0028398 -0.0075000 -0.0037651 -0.0099239
|
|
4 -0.0000002 -0.0000000 -0.1192446 -0.1276659 0.1192448 0.1276662 -0.0000001 -0.0000002 -0.1192449 -0.1276665
|
|
5 -0.0000000 0.0000000 0.0947763 0.0429810 -0.0947762 -0.0429809 -0.0000000 -0.0000000 0.0947762 0.0429809
|
|
6 -0.1716491 0.3162115 -0.0132940 0.0235743 0.0267224 -0.0501438 0.0332556 -0.0658004 0.0400164 -0.0737181
|
|
7 -0.0737250 0.0004959 -0.0811877 0.0026787 -0.0640003 0.0025631 -0.3595617 0.0129816 0.0171875 -0.0001156
|
|
8 -0.0469235 0.0127155 0.0825536 -0.0229715 -0.1109990 0.0294783 0.0039815 -0.0009108 -0.1935527 0.0524498
|
|
9 -0.0004414 0.0040604 0.0265259 -0.1801417 0.0247052 -0.1633932 -0.0071707 0.0480841 -0.0018207 0.0167485
|
|
10 0.0000000 -0.0000000 -0.0216817 -0.0734086 0.0216817 0.0734085 0.0000000 0.0000000 -0.0216817 -0.0734085
|
|
11 0.0000001 0.0000000 0.1809960 0.0673392 -0.1809960 -0.0673392 -0.0000000 -0.0000000 0.1809960 0.0673392
|
|
12 0.1458481 0.0792908 0.0421237 0.0226191 0.0590636 0.0318285 -0.5029889 -0.2706520 0.0169397 0.0092093
|
|
13 -0.5696205 -0.0422228 0.0497374 0.0036146 -0.0164223 -0.0012894 -0.1656052 -0.0115586 -0.0661595 -0.0049040
|
|
14 0.0000000 0.0000001 0.2963676 0.1758536 -0.2963674 -0.1758534 -0.0000001 -0.0000001 0.2963674 0.1758534
|
|
15 0.0263579 0.1012952 0.0410511 0.1610178 -0.0834806 -0.3175658 -0.0051849 -0.0191301 -0.1245317 -0.4785835
|
|
16 0.0197694 -0.0014190 0.4735382 -0.0383301 0.3801347 -0.0316259 0.1043187 -0.0085486 -0.0934036 0.0067043
|
|
17 -0.0520194 -0.0620088 0.0029787 0.0035508 0.0136150 0.0162295 0.0468555 0.0558535 0.0106362 0.0126787
|
|
18 -0.0480153 0.0548596 -0.0143480 0.0163932 -0.0045305 0.0051762 -0.0533070 0.0609054 0.0098175 -0.0112169
|
|
19 0.0000000 -0.0000000 -0.0000000 0.0000000 -0.0000000 0.0000000 0.0000000 -0.0000000 -0.0000000 0.0000000
|
|
20 0.0000002 0.0000002 -0.2245986 -0.2887271 0.2245987 0.2887271 -0.0000000 -0.0000000 -0.2245956 -0.2887233
|
|
21 0.0002695 0.0005391 0.2027932 0.4055583 0.2062640 0.4124994 -0.0183411 -0.0366797 0.0034709 0.0069413
|
|
22 0.0372753 0.0170983 -0.2460943 -0.1128839 0.2338765 0.1072796 0.0005478 0.0002513 0.4799770 0.2201664
|
|
23 0.0215056 0.0235003 0.0116541 0.0127350 0.0110232 0.0120456 0.4462819 0.4876752 -0.0006309 -0.0006894
|
|
24 0.2627759 0.6065835 0.0035329 0.0081551 -0.0041763 -0.0096404 -0.0126628 -0.0292303 -0.0077092 -0.0177956
|
|
25 -0.0000000 -0.0000000 -0.0402689 -0.0604172 0.0402689 0.0604172 0.0000000 0.0000000 -0.0402689 -0.0604172
|
|
26 -0.0000035 0.0000004 0.0608066 -0.0069177 0.0610314 -0.0069432 0.0011037 -0.0001256 0.0002247 -0.0000255
|
|
27 0.0005404 0.0009704 0.0173162 0.0310983 -0.0171256 -0.0307561 0.0000017 0.0000031 -0.0344418 -0.0618544
|
|
28 0.0007302 0.0024037 -0.0152080 -0.0500513 -0.0168885 -0.0555833 -0.0080519 -0.0265001 -0.0016804 -0.0055320
|
|
29 -0.0228205 -0.0156943 -0.0303857 -0.0208967 0.0221342 0.0152228 -0.0020700 -0.0014234 0.0525199 0.0361194
|
|
30 0.0000000 -0.0000000 0.0675407 -0.0787588 -0.0675410 0.0787591 -0.0000001 0.0000001 0.0675409 -0.0787589
|
|
31 -0.0000008 -0.0000003 -0.0524891 -0.0448635 0.0525070 0.0448874 0.0000047 0.0000067 -0.0524962 -0.0448745
|
|
32 -0.0049786 -0.0479445 -0.0033590 -0.0630485 0.0079312 0.0456649 0.0011639 -0.0044256 0.0112885 0.1087120
|
|
|
|
k-point: 16 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 0.0053321 0.0011160 -0.0000000 -0.0000000 0.0309125 0.0064701 -0.0088648 -0.0018554 -0.0000000 -0.0000000
|
|
2 -0.0396499 0.0069294 -0.0000000 0.0000000 -0.0000010 0.0000002 -0.0219657 0.0038389 -0.0000000 0.0000000
|
|
3 -0.0000000 -0.0000000 0.0025430 0.0050990 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0025431 -0.0050990
|
|
4 0.0000716 -0.0123098 0.0000000 -0.0000000 -0.0019765 0.3400801 -0.0001190 0.0204590 0.0000001 0.0000003
|
|
5 -0.1645911 0.1099333 0.0000000 -0.0000000 0.0546346 -0.0364915 0.2735514 -0.1827100 0.0000000 -0.0000000
|
|
6 -0.1926870 -0.2694113 -0.0000000 -0.0000000 0.0000000 -0.0000000 -0.1067490 -0.1492544 0.0000000 -0.0000000
|
|
7 0.1902078 -0.1374933 0.0000000 -0.0000000 0.0436108 -0.0315244 -0.3161267 0.2285147 0.0000000 -0.0000000
|
|
8 0.0000000 -0.0000000 0.0250357 -0.0745933 0.0000000 0.0000000 0.0000000 0.0000000 -0.0250357 0.0745933
|
|
9 0.0255857 0.0565543 0.0000000 0.0000000 -0.0000000 0.0000000 0.0141745 0.0313312 0.0000000 0.0000000
|
|
10 -0.0002694 0.0025644 -0.0000000 0.0000000 0.0115615 -0.1100398 0.0004478 -0.0042621 -0.0000000 -0.0000000
|
|
11 -0.0654134 0.0864967 -0.0000000 0.0000000 0.2113309 -0.2794445 0.1087176 -0.1437582 -0.0000000 0.0000000
|
|
12 -0.0797690 -0.0178807 0.0000000 -0.0000000 -0.5330864 -0.1194945 0.1325783 0.0297182 0.0000000 -0.0000000
|
|
13 0.4896792 0.0186693 0.0000000 0.0000000 0.0000008 0.0000001 0.2712831 0.0103429 -0.0000000 0.0000001
|
|
14 -0.0000000 -0.0000000 0.2409274 0.2123156 -0.0000000 -0.0000001 0.0000000 -0.0000000 -0.2409274 -0.2123156
|
|
15 0.0000000 -0.0000000 -0.2496326 -0.3343785 0.0000000 0.0000000 0.0000000 0.0000000 -0.2496325 -0.3343785
|
|
16 0.0389541 -0.0059762 0.0000000 -0.0000000 0.0031147 -0.0004779 -0.0647420 0.0099324 -0.0000000 0.0000000
|
|
17 0.0000000 -0.0000000 0.2196089 -0.1386038 0.0000000 -0.0000000 0.0000000 -0.0000000 -0.2196089 0.1386038
|
|
18 0.0897408 -0.1212035 -0.0000000 0.0000000 0.0000000 -0.0000000 0.0497166 -0.0671470 0.0000000 -0.0000000
|
|
19 0.0527718 -0.0118105 0.0000000 -0.0000000 -0.0000000 0.0000000 0.0292357 -0.0065431 -0.0000000 0.0000000
|
|
20 -0.0000000 -0.0000000 -0.3397581 -0.4317789 0.0000000 0.0000000 0.0000000 0.0000000 0.3397561 0.4317763
|
|
21 0.0000000 0.0000000 0.4606322 0.2982967 0.0000000 0.0000000 -0.0000000 -0.0000000 0.4606350 0.2982986
|
|
22 0.0125039 -0.0178907 0.0000000 -0.0000000 -0.3393617 0.4855616 -0.0207816 0.0297345 0.0000000 -0.0000000
|
|
23 -0.3862050 0.0270476 0.0000000 -0.0000000 -0.0085536 0.0005990 0.6418754 -0.0449534 0.0000000 -0.0000000
|
|
24 -0.5305183 -0.1222988 0.0000000 0.0000000 0.0000000 0.0000000 -0.2939082 -0.0677538 0.0000000 -0.0000000
|
|
25 -0.0075572 -0.0414088 -0.0000000 0.0000000 -0.0237613 -0.1301976 0.0125601 0.0688218 0.0000000 0.0000000
|
|
26 0.0132832 -0.0289068 0.0000000 -0.0000000 -0.0441990 0.0961858 -0.0220767 0.0480434 -0.0000000 0.0000000
|
|
27 -0.0480962 -0.0699969 -0.0000000 0.0000000 -0.0000000 -0.0000000 -0.0266454 -0.0387784 0.0000000 -0.0000000
|
|
28 -0.0000000 -0.0000000 -0.0222520 -0.0152169 -0.0000000 -0.0000000 0.0000000 0.0000000 0.0222520 0.0152169
|
|
29 -0.0000000 0.0000000 0.0010454 -0.0093485 -0.0000000 -0.0000000 0.0000000 -0.0000000 0.0010454 -0.0093485
|
|
30 -0.0004716 0.0122591 0.0000000 0.0000000 0.0058576 -0.1522723 0.0007837 -0.0203746 0.0000000 -0.0000000
|
|
31 0.0720647 0.0032700 0.0000008 0.0000011 0.0000016 0.0000011 0.0399222 0.0018108 -0.0000007 -0.0000008
|
|
32 -0.0113687 0.0242245 -0.0000018 -0.0000410 -0.0296064 0.0630651 0.0189143 -0.0402654 -0.0000040 0.0000379
|
|
|
|
k-point: 17 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 -0.0000012 0.0000006 -0.0182544 0.0087534 0.0182547 -0.0087535 -0.0000005 0.0000002 0.0182550 -0.0087537
|
|
2 -0.0068356 0.0018972 0.0097840 -0.0027257 0.0080009 -0.0022308 -0.0393785 0.0109746 0.0017821 -0.0004946
|
|
3 -0.0229416 -0.0338348 0.0020909 0.0030868 -0.0038918 -0.0057367 0.0039875 0.0058673 0.0059818 0.0088221
|
|
4 -0.0000000 -0.0000000 -0.1456463 0.0964634 0.1456460 -0.0964632 0.0000000 -0.0000000 0.1456462 -0.0964634
|
|
5 -0.0000000 0.0000000 -0.0554322 0.0880748 0.0554322 -0.0880748 0.0000000 -0.0000000 0.0554322 -0.0880748
|
|
6 -0.2470736 -0.2615075 0.0185661 0.0196330 -0.0390339 -0.0413320 0.0506891 0.0537383 0.0576000 0.0609650
|
|
7 -0.0591314 0.0442796 0.0650689 -0.0486516 0.0512837 -0.0383287 -0.2881502 0.2154090 0.0137852 -0.0103229
|
|
8 0.0261374 -0.0410775 0.0481449 -0.0752351 -0.0596682 0.0942039 -0.0016129 0.0026550 0.1078131 -0.1694390
|
|
9 0.0030606 0.0005325 0.1782452 0.0273464 0.1656208 0.0251498 0.0481304 0.0073478 0.0126244 0.0021966
|
|
10 -0.0000000 -0.0000000 0.0728237 -0.0235715 -0.0728237 0.0235715 0.0000000 -0.0000000 -0.0728237 0.0235715
|
|
11 -0.0000001 -0.0000000 0.1922488 -0.0182892 -0.1922489 0.0182892 0.0000000 -0.0000000 -0.1922488 0.0182892
|
|
12 0.1608241 0.0506519 -0.0453804 -0.0143139 -0.0640597 -0.0201970 -0.5440128 -0.1715492 0.0186791 0.0058831
|
|
13 -0.5493789 -0.1534987 -0.0482371 -0.0134839 0.0155716 0.0043445 -0.1623764 -0.0454304 -0.0638085 -0.0178284
|
|
14 0.0000001 0.0000000 -0.3444105 -0.0118097 0.3444106 0.0118097 -0.0000001 -0.0000000 0.3444106 0.0118098
|
|
15 0.1043780 -0.0084143 -0.3263410 0.0265805 0.1668077 -0.0131739 0.0194949 -0.0016383 -0.4931486 0.0397544
|
|
16 0.0138396 0.0138276 0.2714368 0.2691406 0.3368240 0.3344709 -0.0743294 -0.0737612 -0.0653873 -0.0653302
|
|
17 -0.0086163 -0.0813934 0.0022208 0.0209788 0.0004591 0.0043365 -0.0075672 -0.0714826 0.0017617 0.0166422
|
|
18 -0.0696472 0.0177846 -0.0069223 0.0017676 -0.0211628 0.0054040 0.0793035 -0.0202505 0.0142405 -0.0036364
|
|
19 -0.0000000 0.0000000 0.0000000 -0.0000000 0.0000000 -0.0000000 0.0000000 -0.0000000 0.0000000 -0.0000000
|
|
20 -0.0000002 0.0000001 -0.3116780 0.1914803 0.3116781 -0.1914803 0.0000000 -0.0000000 0.3116739 -0.1914777
|
|
21 -0.0001840 0.0000717 0.4249283 -0.1656855 0.4272969 -0.1666091 0.0382117 -0.0148993 -0.0023688 0.0009237
|
|
22 -0.0222375 0.0344618 -0.1443631 0.2237217 0.1419753 -0.2200216 -0.0001071 0.0001659 -0.2863420 0.4437490
|
|
23 0.0315683 -0.0028358 -0.0171913 0.0015443 -0.0162652 0.0014611 0.6584121 -0.0591461 -0.0009261 0.0000832
|
|
24 0.6584593 0.0586188 -0.0088566 -0.0007885 0.0104608 0.0009313 -0.0315706 -0.0028105 -0.0193175 -0.0017197
|
|
25 0.0000000 -0.0000000 -0.0601793 0.0406235 0.0601793 -0.0406235 -0.0000000 0.0000000 0.0601793 -0.0406235
|
|
26 -0.0000149 -0.0000039 0.0597724 0.0156959 0.0588197 0.0154456 -0.0010743 -0.0002821 0.0009527 0.0002504
|
|
27 0.0000734 -0.0011082 -0.0022833 0.0344666 0.0023957 -0.0361691 -0.0000010 0.0000154 -0.0046789 0.0706357
|
|
28 0.0001254 -0.0012059 -0.0058705 0.0564663 -0.0055819 0.0536910 0.0028730 -0.0276347 -0.0002887 0.0027754
|
|
29 0.0277498 -0.0013702 -0.0295186 0.0014574 0.0343457 -0.0016961 -0.0012110 0.0000599 -0.0638643 0.0031535
|
|
30 0.0000002 0.0000000 0.0630444 -0.0824023 -0.0630446 0.0824020 0.0000000 0.0000001 -0.0630450 0.0824022
|
|
31 0.0000025 0.0000001 -0.0690514 -0.0014691 0.0690490 0.0014638 0.0000007 0.0000014 0.0690416 0.0014669
|
|
32 0.0196957 -0.0143180 0.0443247 0.0643053 0.0889803 0.0318428 -0.0339416 -0.0244822 -0.0446635 0.0324638
|
|
|
|
k-point: 18 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 -0.0000013 -0.0000002 0.0200555 0.0027614 0.0200557 0.0027614 -0.0000005 -0.0000001 -0.0200561 -0.0027614
|
|
2 0.0046997 0.0057823 0.0064272 0.0079059 -0.0052013 -0.0063975 0.0257473 0.0316700 0.0012253 0.0015075
|
|
3 -0.0264289 0.0311034 -0.0023567 0.0027732 -0.0045355 0.0053380 0.0048242 -0.0056789 -0.0068911 0.0081099
|
|
4 -0.0000000 -0.0000000 0.0971551 -0.1451856 0.0971549 -0.1451856 0.0000001 0.0000000 -0.0971550 0.1451855
|
|
5 -0.0000000 0.0000000 0.0305967 -0.0994673 0.0305967 -0.0994673 -0.0000000 -0.0000000 -0.0305967 0.0994673
|
|
6 -0.2895095 0.2136313 -0.0217709 0.0160637 -0.0457222 0.0337399 0.0593159 -0.0437757 -0.0674931 0.0498037
|
|
7 -0.0537604 0.0504431 -0.0592369 0.0555883 0.0467038 -0.0438285 -0.2623652 0.2462084 -0.0125331 0.0117598
|
|
8 0.0095098 0.0477108 -0.0172094 -0.0855380 -0.0220172 -0.1112625 -0.0006729 -0.0036006 -0.0392266 -0.1968005
|
|
9 0.0021574 -0.0029602 -0.1084792 0.1453161 0.0995804 -0.1331056 0.0291218 -0.0389703 -0.0088988 0.0122106
|
|
10 0.0000000 0.0000000 0.0755955 -0.0120094 0.0755955 -0.0120094 -0.0000000 0.0000000 -0.0755955 0.0120094
|
|
11 0.0000000 -0.0000001 0.0379938 -0.1893425 0.0379938 -0.1893425 -0.0000000 0.0000000 -0.0379938 0.1893425
|
|
12 -0.0739527 0.1495175 -0.0211421 0.0428061 0.0297315 -0.0601722 0.2528860 -0.5118919 0.0085893 -0.0173659
|
|
13 0.1590129 -0.5483607 -0.0138997 0.0479620 -0.0045691 0.0157284 0.0463810 -0.1602288 -0.0184688 0.0636903
|
|
14 0.0000000 -0.0000001 0.0569709 -0.3398712 0.0569710 -0.3398712 -0.0000000 0.0000000 -0.0569709 0.3398713
|
|
15 -0.0208370 -0.1044706 -0.0492027 -0.2462457 -0.0492445 -0.2473405 0.0000051 0.0001338 -0.0984473 -0.4935861
|
|
16 -0.0000227 0.0001319 -0.1409851 0.4127771 0.1408778 -0.4121537 -0.0344436 0.1008064 -0.0001074 0.0006234
|
|
17 -0.0332230 -0.1035207 -0.0030300 -0.0094415 -0.0037630 -0.0117250 0.0020695 0.0064480 -0.0067930 -0.0211665
|
|
18 0.0048571 -0.0047189 0.0143042 -0.0138978 -0.0133111 0.0129330 0.0779772 -0.0757618 0.0009931 -0.0009649
|
|
19 -0.0000000 0.0000000 -0.0000000 0.0000000 0.0000000 -0.0000000 0.0000000 -0.0000000 0.0000000 0.0000000
|
|
20 -0.0000000 -0.0000003 0.0051332 0.3657616 0.0051332 0.3657617 0.0000000 0.0000000 -0.0051332 -0.3657567
|
|
21 -0.0004019 -0.0000013 -0.4547522 -0.0014552 0.4599270 0.0014718 0.0410120 0.0001312 0.0051749 0.0000166
|
|
22 -0.0065839 0.0404803 0.0431080 -0.2650430 0.0416691 -0.2561961 -0.0000645 0.0003967 0.0847781 -0.5212459
|
|
23 0.0172223 0.0267639 0.0093412 0.0145165 -0.0088359 -0.0137313 0.3577204 0.5559070 0.0005053 0.0007852
|
|
24 -0.2073538 -0.6276949 -0.0027880 -0.0084397 -0.0032952 -0.0099753 0.0099829 0.0302201 -0.0060832 -0.0184149
|
|
25 0.0000000 -0.0000000 0.0579794 -0.0437059 0.0579794 -0.0437059 -0.0000000 0.0000000 -0.0579794 0.0437059
|
|
26 -0.0000032 -0.0000049 -0.0335333 -0.0515521 0.0333290 0.0512380 -0.0006057 -0.0009311 -0.0002043 -0.0003141
|
|
27 -0.0010966 0.0001766 -0.0346273 0.0055780 -0.0352680 0.0056812 0.0000058 -0.0000009 -0.0698953 0.0112592
|
|
28 -0.0004814 -0.0004632 0.0393747 0.0378886 -0.0404826 -0.0389546 0.0200334 0.0192773 -0.0011079 -0.0010659
|
|
29 0.0271058 -0.0061832 0.0324891 -0.0074111 0.0298929 -0.0068191 0.0006513 -0.0001485 0.0623821 -0.0142302
|
|
30 0.0000000 -0.0000002 -0.0942178 0.0434482 -0.0942173 0.0434488 -0.0000001 -0.0000001 0.0942175 -0.0434491
|
|
31 -0.0000019 0.0000069 -0.0680989 -0.0114299 -0.0681187 -0.0114504 0.0000054 0.0000052 0.0681041 0.0114644
|
|
32 0.0333654 -0.0059155 0.0131528 0.0565689 0.0624937 -0.0699956 -0.0125627 0.0322279 0.0756474 -0.0134108
|
|
|
|
k-point: 19 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 0.0031473 0.0238160 0.0000000 0.0000000 -0.0000000 0.0000000 0.0000000 -0.0000000 0.0000000 0.0000000
|
|
2 0.0000000 0.0000000 0.0000028 0.0000041 -0.0034083 -0.0053206 0.0000000 -0.0000000 0.0000000 -0.0000000
|
|
3 0.0000000 -0.0000000 -0.0063026 0.0004507 -0.0000049 0.0000002 0.0000000 -0.0000000 -0.0000000 -0.0000000
|
|
4 0.0147850 0.0546834 0.0000000 -0.0000000 0.0000000 -0.0000000 -0.0000000 0.0000000 0.0000000 0.0000000
|
|
5 0.2495689 0.4305277 -0.0000000 0.0000000 -0.0000000 0.0000000 -0.0000000 -0.0000000 0.0000000 0.0000000
|
|
6 0.0000000 0.0000000 -0.0000000 -0.0000000 0.0000000 -0.0000000 -0.2935612 -0.5090314 -0.0000000 -0.0000000
|
|
7 -0.1250814 -0.2742042 -0.0000000 0.0000000 -0.0000000 0.0000000 -0.0000000 -0.0000000 0.0000000 0.0000000
|
|
8 0.0000000 -0.0000000 -0.1214872 -0.0974174 0.0001264 0.0004007 0.0000000 -0.0000000 0.0000000 0.0000000
|
|
9 -0.0000000 0.0000000 0.0004195 -0.0000232 0.1340216 0.0792937 -0.0000000 0.0000000 -0.0000000 -0.0000000
|
|
10 -0.0513909 -0.0284084 -0.0000000 -0.0000000 0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000
|
|
11 0.1699710 0.3066176 -0.0000000 0.0000000 -0.0000000 0.0000000 0.0000000 -0.0000000 0.0000000 0.0000000
|
|
12 -0.0000000 0.0000000 -0.0903043 -0.1371440 0.0000110 0.0000168 0.0000000 0.0000000 -0.0000000 -0.0000000
|
|
13 0.0000000 -0.0000000 0.0000162 0.0000119 0.1323352 0.0972149 -0.0000000 -0.0000000 0.0000000 0.0000000
|
|
14 -0.0000000 0.0000000 -0.5061166 -0.2355808 -0.0025818 -0.0027540 0.0000000 0.0000000 -0.0000000 -0.0000000
|
|
15 -0.0000000 0.0000000 -0.0018368 -0.0032979 0.0702434 0.5538215 0.0000000 0.0000000 -0.0000000 -0.0000000
|
|
16 0.0478756 -0.1427193 -0.0000000 0.0000000 -0.0000000 0.0000000 0.0000000 -0.0000000 -0.0000000 0.0000000
|
|
17 -0.0000000 0.0000000 -0.0000000 0.0000000 0.0000000 -0.0000000 -0.0162550 0.0243835 0.0000000 0.0000000
|
|
18 -0.0000000 -0.0000000 -0.0993714 -0.0483979 -0.0000348 -0.0000169 0.0000000 0.0000000 -0.0000000 -0.0000000
|
|
19 0.0000000 -0.0000000 -0.0000386 -0.0000018 0.1104208 0.0049274 0.0000000 0.0000000 0.0000000 0.0000000
|
|
20 0.0000000 -0.0000000 0.0000000 -0.0000000 0.0000000 -0.0000000 -0.0000000 0.0000000 0.6598727 -0.7153501
|
|
21 0.0000000 0.0000000 0.0002504 0.0000988 0.7007046 0.2936138 0.0000000 0.0000000 -0.0000000 -0.0000000
|
|
22 0.0000000 -0.0000000 0.7558501 -0.0767250 -0.0002683 0.0000216 -0.0000000 0.0000000 -0.0000000 0.0000000
|
|
23 -0.0000000 0.0000000 -0.0000000 0.0000000 0.0000000 -0.0000000 -0.3593545 0.6758103 -0.0000000 0.0000000
|
|
24 0.1930428 -0.6206088 -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 0.0160316 0.1026364 -0.0000000 0.0000000
|
|
26 0.0564718 0.1262704 -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 -0.0392786 -0.0399823
|
|
28 0.0518257 0.1345611 -0.0000000 -0.0000000 -0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
|
|
29 0.0000000 0.0000000 0.0000564 0.0000893 -0.0257511 -0.0425486 0.0000000 -0.0000000 0.0000000 -0.0000000
|
|
30 -0.0000000 -0.0000000 0.0099441 0.0487301 0.0000191 0.0001039 0.0000000 -0.0000000 -0.0000000 -0.0000000
|
|
31 -0.0471485 0.0927307 0.0000008 0.0000028 -0.0000003 -0.0000002 -0.0000003 0.0000008 -0.0000007 -0.0000008
|
|
32 0.0433877 0.0117021 -0.0000007 -0.0000002 -0.0000047 -0.0000030 0.0000016 -0.0000003 0.0000002 -0.0000000
|
|
|
|
k-point: 20 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 0.0032461 -0.0043755 0.0188171 -0.0253646 0.0000000 0.0000000 0.0053961 -0.0072736 0.0000000 0.0000000
|
|
2 -0.0306570 -0.0260820 -0.0000005 -0.0000004 0.0000000 -0.0000000 0.0169839 0.0144493 0.0000000 -0.0000000
|
|
3 0.0000000 -0.0000000 0.0000000 0.0000000 -0.0055619 -0.0012379 -0.0000000 -0.0000000 0.0055619 0.0012379
|
|
4 -0.0118860 0.0032029 0.3283724 -0.0884859 -0.0000001 0.0000001 -0.0197547 0.0053232 0.0000001 -0.0000001
|
|
5 -0.1728039 0.0965109 0.0573608 -0.0320360 -0.0000000 0.0000000 -0.2872013 0.1604018 0.0000000 0.0000000
|
|
6 -0.3101825 0.1161788 -0.0000000 -0.0000000 0.0000000 0.0000000 0.1718418 -0.0643633 -0.0000000 0.0000000
|
|
7 0.2159640 0.0918855 0.0495162 0.0210675 -0.0000000 -0.0000000 0.3589336 0.1527143 0.0000000 -0.0000000
|
|
8 -0.0000000 -0.0000000 0.0000000 -0.0000000 0.0758781 0.0208197 -0.0000000 0.0000000 -0.0758781 -0.0208196
|
|
9 0.0601223 -0.0154377 0.0000000 0.0000000 -0.0000000 -0.0000000 -0.0333079 0.0085525 0.0000000 0.0000000
|
|
10 -0.0025554 0.0003448 0.1096518 -0.0147961 -0.0000000 -0.0000000 -0.0042470 0.0005731 -0.0000000 0.0000000
|
|
11 -0.0770352 0.0763294 0.2488772 -0.2465972 0.0000000 -0.0000000 -0.1280330 0.1268601 -0.0000000 0.0000000
|
|
12 -0.0318723 0.0752788 -0.2130000 0.5030816 -0.0000000 0.0000000 -0.0529731 0.1251163 -0.0000000 -0.0000000
|
|
13 0.0383429 0.4885327 0.0000001 0.0000013 0.0000000 -0.0000000 -0.0212420 -0.2706477 -0.0000000 0.0000000
|
|
14 -0.0000000 -0.0000000 0.0000000 -0.0000000 -0.1210361 0.2974461 -0.0000000 0.0000000 0.1210361 -0.2974461
|
|
15 0.0000000 0.0000000 -0.0000000 0.0000000 -0.0308891 -0.4161386 0.0000000 -0.0000000 -0.0308891 -0.4161385
|
|
16 -0.0387729 0.0070567 -0.0031003 0.0005643 -0.0000000 -0.0000000 -0.0644409 0.0117283 0.0000000 -0.0000000
|
|
17 -0.0000000 0.0000000 -0.0000000 0.0000000 -0.1224696 0.2289984 0.0000000 -0.0000000 0.1224696 -0.2289984
|
|
18 -0.1460966 -0.0374101 -0.0000000 -0.0000000 0.0000000 0.0000000 0.0809378 0.0207253 -0.0000000 -0.0000000
|
|
19 -0.0540033 -0.0028269 0.0000000 0.0000000 -0.0000000 -0.0000000 0.0299180 0.0015661 0.0000000 0.0000000
|
|
20 -0.0000000 0.0000000 0.0000000 -0.0000000 -0.5365853 0.1180883 -0.0000000 0.0000000 0.5365820 -0.1180876
|
|
21 0.0000000 -0.0000000 0.0000000 -0.0000000 0.5473972 -0.0389773 0.0000000 -0.0000000 0.5474006 -0.0389775
|
|
22 0.0105429 0.0191121 -0.2861388 -0.5187110 0.0000000 0.0000000 0.0175224 0.0317645 0.0000000 0.0000000
|
|
23 0.0068018 -0.3870912 0.0001506 -0.0085733 -0.0000000 0.0000000 0.0113046 -0.6433483 -0.0000000 0.0000000
|
|
24 0.5441453 -0.0176769 -0.0000000 0.0000000 -0.0000000 0.0000000 -0.3014576 0.0097930 -0.0000000 -0.0000000
|
|
25 0.0106145 -0.0407325 0.0333740 -0.1280711 0.0000000 -0.0000000 0.0176413 -0.0676977 -0.0000000 0.0000000
|
|
26 0.0053763 -0.0313551 -0.0178893 0.1043323 -0.0000000 -0.0000000 0.0089355 -0.0521124 0.0000000 0.0000000
|
|
27 0.0336179 -0.0779913 0.0000000 -0.0000000 0.0000000 -0.0000000 -0.0186244 0.0432073 -0.0000000 0.0000000
|
|
28 0.0000000 -0.0000000 -0.0000000 -0.0000000 0.0020593 -0.0268787 -0.0000000 -0.0000000 -0.0020593 0.0268787
|
|
29 -0.0000000 0.0000000 -0.0000000 -0.0000000 0.0022906 -0.0091236 -0.0000000 -0.0000000 0.0022906 -0.0091236
|
|
30 -0.0088953 -0.0084487 0.1104906 0.1049428 -0.0000000 -0.0000000 -0.0147841 -0.0140418 0.0000000 0.0000000
|
|
31 0.0218770 -0.0687414 -0.0000018 -0.0000013 -0.0000046 -0.0000059 -0.0121217 0.0380809 0.0000051 0.0000064
|
|
32 0.0199071 -0.0178891 0.0518198 -0.0465742 -0.0000122 0.0000144 0.0330839 -0.0297395 0.0000118 -0.0000176
|
|
|
|
k-point: 21 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 0.0026547 -0.0047576 -0.0153890 0.0275794 -0.0000000 -0.0000000 0.0044130 -0.0079087 0.0000000 0.0000000
|
|
2 -0.0079066 0.0394666 0.0000001 -0.0000006 0.0000000 0.0000000 0.0043802 -0.0218643 -0.0000000 -0.0000000
|
|
3 0.0000000 -0.0000000 0.0000000 0.0000000 -0.0056967 -0.0001198 -0.0000000 0.0000000 -0.0056967 -0.0001198
|
|
4 -0.0100497 0.0071091 -0.2776419 0.1964006 -0.0000000 0.0000000 -0.0167027 0.0118153 -0.0000000 -0.0000000
|
|
5 -0.0140848 0.1974264 -0.0046753 0.0655340 0.0000000 -0.0000000 -0.0234090 0.3281239 0.0000000 0.0000000
|
|
6 -0.3281804 0.0448142 0.0000000 0.0000000 0.0000000 -0.0000000 0.1818127 -0.0248271 -0.0000000 0.0000000
|
|
7 0.2204645 0.0804910 -0.0505480 -0.0184549 -0.0000000 0.0000000 0.3664135 0.1337766 -0.0000000 -0.0000000
|
|
8 0.0000000 0.0000000 -0.0000000 -0.0000000 -0.0417298 0.0667051 0.0000000 -0.0000000 -0.0417298 0.0667051
|
|
9 -0.0167091 -0.0597814 0.0000000 -0.0000000 0.0000000 -0.0000000 0.0092569 0.0331191 0.0000000 0.0000000
|
|
10 0.0015024 0.0020956 0.0644680 0.0899239 0.0000000 -0.0000000 0.0024970 0.0034829 -0.0000000 -0.0000000
|
|
11 0.0736874 0.0795661 0.2380616 0.2570538 -0.0000000 -0.0000000 0.1224691 0.1322395 0.0000000 0.0000000
|
|
12 0.0326240 0.0749561 -0.2180232 -0.5009251 -0.0000000 0.0000000 0.0542223 0.1245800 -0.0000000 -0.0000000
|
|
13 -0.1419583 -0.4690226 0.0000004 0.0000012 0.0000000 0.0000000 0.0786451 0.2598391 0.0000000 0.0000000
|
|
14 0.0000000 -0.0000000 0.0000000 0.0000000 0.2574503 -0.1919460 -0.0000000 0.0000000 0.2574503 -0.1919460
|
|
15 -0.0000000 0.0000000 -0.0000000 0.0000000 -0.2430260 0.3392105 0.0000000 -0.0000000 0.2430260 -0.3392105
|
|
16 0.0180830 0.0350164 -0.0014459 -0.0027999 0.0000000 0.0000000 0.0300540 0.0581974 -0.0000000 -0.0000000
|
|
17 0.0000000 0.0000000 -0.0000000 -0.0000000 0.0108474 0.2594637 -0.0000000 -0.0000000 0.0108474 0.2594637
|
|
18 0.1101443 -0.1030143 -0.0000000 0.0000000 -0.0000000 0.0000000 -0.0610202 0.0570701 -0.0000000 0.0000000
|
|
19 0.0419385 0.0341396 0.0000000 0.0000000 0.0000000 0.0000000 -0.0232340 -0.0189134 0.0000000 0.0000000
|
|
20 0.0000000 -0.0000000 0.0000000 -0.0000000 0.2075569 -0.5087128 0.0000000 -0.0000000 0.2075556 -0.5087097
|
|
21 0.0000000 0.0000000 -0.0000000 -0.0000000 0.0488444 0.5466051 0.0000000 0.0000000 -0.0488447 -0.5466085
|
|
22 -0.0016891 0.0217617 -0.0458433 0.5906224 -0.0000000 0.0000000 -0.0028073 0.0361681 0.0000000 -0.0000000
|
|
23 -0.0986893 0.3743612 0.0021858 -0.0082913 0.0000000 -0.0000000 -0.1640223 0.6221909 -0.0000000 0.0000000
|
|
24 0.1151632 0.5321128 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0638006 -0.2947916 -0.0000000 -0.0000000
|
|
25 0.0102492 0.0408259 -0.0322255 -0.1283648 0.0000000 0.0000000 0.0170342 0.0678530 0.0000000 0.0000000
|
|
26 0.0080903 0.0307668 0.0269201 0.1023746 0.0000000 0.0000000 0.0134462 0.0511346 -0.0000000 0.0000000
|
|
27 0.0554818 0.0643006 -0.0000000 -0.0000000 -0.0000000 0.0000000 -0.0307371 -0.0356227 -0.0000000 -0.0000000
|
|
28 -0.0000000 0.0000000 0.0000000 0.0000000 -0.0269479 0.0007188 0.0000000 -0.0000000 -0.0269479 0.0007188
|
|
29 -0.0000000 0.0000000 0.0000000 -0.0000000 0.0086993 -0.0035791 -0.0000000 -0.0000000 -0.0086993 0.0035791
|
|
30 -0.0079278 -0.0093625 -0.0984733 -0.1162935 -0.0000000 0.0000000 -0.0131761 -0.0155605 0.0000000 0.0000000
|
|
31 0.0171226 0.0700768 -0.0000002 -0.0000002 0.0000004 -0.0000001 -0.0094860 -0.0388225 0.0000002 -0.0000001
|
|
32 0.0185988 0.0192520 -0.0484134 -0.0501112 -0.0000018 -0.0000008 0.0309097 0.0319949 -0.0000014 -0.0000009
|
|
|
|
k-point: 22 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 -0.0047804 0.0026124 -0.0000000 -0.0000000 -0.0277142 0.0151450 0.0079476 -0.0043431 0.0000000 0.0000000
|
|
2 0.0402198 -0.0015802 0.0000000 -0.0000000 0.0000010 -0.0000000 0.0222815 -0.0008754 0.0000000 0.0000000
|
|
3 0.0000000 0.0000000 0.0040680 0.0039897 -0.0000000 0.0000000 -0.0000000 -0.0000000 -0.0040680 -0.0039897
|
|
4 -0.0117695 0.0036076 -0.0000001 -0.0000001 0.3251534 -0.0996672 0.0195611 -0.0059959 0.0000000 0.0000001
|
|
5 0.1715195 -0.0987755 0.0000000 -0.0000000 -0.0569345 0.0327878 -0.2850667 0.1641655 -0.0000000 0.0000000
|
|
6 -0.3215261 0.0795716 -0.0000000 -0.0000000 0.0000001 0.0000000 -0.1781262 0.0440829 0.0000000 -0.0000000
|
|
7 0.1485847 -0.1816756 0.0000000 0.0000000 0.0340674 -0.0416545 -0.2469487 0.3019460 0.0000000 0.0000000
|
|
8 -0.0000000 -0.0000000 -0.0735418 -0.0279741 -0.0000000 0.0000000 -0.0000000 -0.0000000 0.0735418 0.0279741
|
|
9 -0.0460544 -0.0416174 0.0000000 -0.0000000 0.0000000 0.0000000 -0.0255143 -0.0230561 -0.0000000 0.0000000
|
|
10 -0.0015400 0.0020681 -0.0000000 0.0000000 0.0660827 -0.0887441 0.0025595 -0.0034372 -0.0000000 -0.0000000
|
|
11 -0.0960085 0.0504279 -0.0000000 0.0000000 0.3101743 -0.1629170 0.1595669 -0.0838115 0.0000000 -0.0000000
|
|
12 0.0617815 -0.0535337 0.0000001 -0.0000001 0.4128783 -0.3577590 -0.1026826 0.0889745 -0.0000000 0.0000000
|
|
13 0.0910885 0.4814947 -0.0000000 -0.0000000 0.0000002 0.0000008 0.0504632 0.2667488 0.0000000 -0.0000000
|
|
14 0.0000000 0.0000000 0.2398136 -0.2135730 0.0000000 0.0000000 -0.0000000 0.0000000 -0.2398135 0.2135729
|
|
15 -0.0000000 -0.0000000 0.4172561 -0.0047748 -0.0000000 0.0000001 -0.0000000 -0.0000000 0.4172560 -0.0047748
|
|
16 0.0376389 -0.0116813 -0.0000000 -0.0000000 0.0030097 -0.0009340 -0.0625560 0.0194147 0.0000000 -0.0000000
|
|
17 0.0000000 0.0000000 0.2453607 0.0850719 0.0000000 0.0000000 0.0000000 0.0000000 -0.2453607 -0.0850719
|
|
18 0.1179537 -0.0939715 -0.0000000 0.0000000 0.0000000 -0.0000000 0.0653466 -0.0520604 0.0000000 -0.0000000
|
|
19 -0.0003925 0.0540758 0.0000000 0.0000000 0.0000000 -0.0000000 -0.0002174 0.0299581 0.0000000 -0.0000000
|
|
20 -0.0000000 0.0000000 -0.4719860 0.2812433 0.0000000 -0.0000000 0.0000000 -0.0000000 0.4719832 -0.2812416
|
|
21 -0.0000000 -0.0000000 -0.5215479 -0.1707357 -0.0000000 -0.0000000 0.0000000 0.0000000 -0.5215511 -0.1707368
|
|
22 -0.0217126 0.0022331 -0.0000000 0.0000000 0.5892905 -0.0606063 0.0360866 -0.0037114 -0.0000000 0.0000000
|
|
23 0.3136418 -0.2269685 -0.0000000 0.0000000 0.0069465 -0.0050269 -0.5212749 0.3772232 -0.0000000 0.0000000
|
|
24 0.2459648 -0.4857036 -0.0000000 0.0000000 -0.0000000 0.0000000 0.1362650 -0.2690808 0.0000000 -0.0000000
|
|
25 0.0383226 -0.0174121 0.0000000 -0.0000000 0.1204938 -0.0547472 -0.0636924 0.0289391 -0.0000000 0.0000000
|
|
26 0.0256340 -0.0188400 0.0000000 -0.0000000 -0.0852957 0.0626889 -0.0426039 0.0313122 -0.0000000 0.0000000
|
|
27 0.0719668 -0.0450953 0.0000000 -0.0000000 0.0000000 -0.0000000 0.0398697 -0.0249829 0.0000000 -0.0000000
|
|
28 0.0000000 0.0000000 -0.0240939 -0.0120908 0.0000000 0.0000000 -0.0000000 0.0000000 0.0240939 0.0120908
|
|
29 -0.0000000 -0.0000000 0.0094035 0.0002481 -0.0000000 0.0000000 0.0000000 -0.0000000 0.0094035 0.0002481
|
|
30 -0.0105852 0.0062017 -0.0000000 -0.0000000 0.1314806 -0.0770325 0.0175926 -0.0103073 0.0000000 0.0000000
|
|
31 0.0629562 0.0352185 -0.0000026 -0.0000018 0.0000010 0.0000012 0.0348770 0.0195116 0.0000029 0.0000024
|
|
32 -0.0267612 0.0002606 0.0000155 0.0000047 -0.0696661 0.0006679 0.0444795 -0.0004240 -0.0000188 -0.0000077
|
|
|
|
k-point: 23 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 0.0000012 -0.0000005 -0.0189689 0.0070731 -0.0189691 0.0070731 0.0000005 -0.0000002 0.0189695 -0.0070733
|
|
2 0.0073303 0.0013024 0.0100325 0.0017748 -0.0081204 -0.0014351 0.0401932 0.0071071 0.0019111 0.0003396
|
|
3 -0.0142975 0.0382307 -0.0012767 0.0034097 -0.0024519 0.0065602 0.0026021 -0.0069756 -0.0037279 0.0099683
|
|
4 -0.0000001 -0.0000000 -0.0709591 -0.1596331 -0.0709591 -0.1596331 0.0000000 0.0000000 0.0709592 0.1596331
|
|
5 -0.0000000 0.0000000 0.0965144 -0.0389213 0.0965144 -0.0389213 0.0000000 -0.0000000 -0.0965144 0.0389213
|
|
6 0.3597918 -0.0002831 0.0270499 -0.0000233 0.0568280 -0.0000427 -0.0737462 0.0000481 0.0838779 -0.0000660
|
|
7 -0.0567868 0.0470506 -0.0625609 0.0518221 0.0493222 -0.0408532 -0.2770815 0.2295127 -0.0132387 0.0109689
|
|
8 0.0176476 -0.0453359 -0.0316667 0.0813156 -0.0411272 0.1056888 -0.0013242 0.0034115 -0.0727939 0.1870044
|
|
9 0.0008954 -0.0035482 -0.0442047 0.1758647 0.0405115 -0.1612287 0.0118576 -0.0471824 -0.0036932 0.0146360
|
|
10 -0.0000000 -0.0000000 -0.0493534 -0.0585077 -0.0493534 -0.0585077 -0.0000000 0.0000000 0.0493534 0.0585077
|
|
11 -0.0000001 0.0000000 -0.0858148 0.1730027 -0.0858148 0.1730027 0.0000000 -0.0000000 0.0858148 -0.1730027
|
|
12 0.1651927 0.0248601 0.0471902 0.0070978 -0.0663769 -0.0099853 -0.5645275 -0.0849180 -0.0191865 -0.0028874
|
|
13 0.5629683 0.0947052 -0.0492641 -0.0082863 -0.0161230 -0.0027134 0.1647399 0.0277019 -0.0653869 -0.0109997
|
|
14 0.0000001 -0.0000000 0.1860630 -0.2900667 0.1860631 -0.2900667 -0.0000000 0.0000000 -0.1860630 0.2900667
|
|
15 -0.0592601 0.0885243 -0.1400503 0.2090240 -0.1399322 0.2092216 -0.0000144 -0.0000241 -0.2799825 0.4182455
|
|
16 0.0000263 0.0000100 0.3149538 -0.3013612 -0.3148297 0.3014086 0.0769594 -0.0736584 0.0001241 0.0000475
|
|
17 0.0824409 -0.0708788 0.0075189 -0.0064645 0.0093375 -0.0080279 -0.0051350 0.0044145 0.0168564 -0.0144923
|
|
18 0.0064517 -0.0020573 0.0190014 -0.0060584 -0.0176823 0.0056377 0.1035836 -0.0330263 0.0013192 -0.0004206
|
|
19 -0.0000000 0.0000000 -0.0000000 0.0000000 0.0000000 -0.0000000 0.0000000 -0.0000000 0.0000000 0.0000000
|
|
20 0.0000002 0.0000000 -0.3619872 -0.0526606 -0.3619873 -0.0526607 -0.0000000 -0.0000000 0.3619824 0.0526599
|
|
21 -0.0003717 -0.0001527 -0.4206433 -0.1728031 0.4254299 0.1747695 0.0379359 0.0155843 0.0047868 0.0019665
|
|
22 0.0382358 -0.0148333 -0.2503472 0.0971203 -0.2419909 0.0938785 0.0003747 -0.0001454 -0.4923445 0.1910013
|
|
23 -0.0284015 0.0143620 -0.0154047 0.0077898 0.0145715 -0.0073684 -0.5899221 0.2983092 -0.0008332 0.0004213
|
|
24 -0.2156301 -0.6249001 -0.0028993 -0.0084021 -0.0034268 -0.0099308 0.0103814 0.0300855 -0.0063260 -0.0183329
|
|
25 -0.0000000 -0.0000000 -0.0683517 -0.0244921 -0.0683517 -0.0244921 0.0000000 0.0000000 0.0683517 0.0244921
|
|
26 -0.0000045 0.0000038 -0.0471701 0.0394599 0.0468827 -0.0392195 -0.0008520 0.0007127 -0.0002874 0.0002404
|
|
27 0.0010771 -0.0002714 0.0340106 -0.0085698 0.0346399 -0.0087283 -0.0000057 0.0000014 0.0686505 -0.0172981
|
|
28 0.0001403 0.0006529 -0.0114806 -0.0534241 0.0118035 0.0549268 -0.0058412 -0.0271815 0.0003229 0.0015027
|
|
29 -0.0278002 -0.0003235 -0.0333211 -0.0003877 -0.0306591 -0.0003568 -0.0006678 -0.0000078 -0.0639802 -0.0007445
|
|
30 0.0000000 0.0000001 -0.1021844 -0.0179748 -0.1021843 -0.0179748 -0.0000000 0.0000000 0.1021844 0.0179750
|
|
31 0.0000021 -0.0000023 0.0455645 -0.0519033 0.0455620 -0.0519065 0.0000007 0.0000009 -0.0455568 0.0518965
|
|
32 0.0103452 0.0118029 0.0891134 -0.0324630 -0.0656570 0.0592264 0.0394085 -0.0233460 0.0234589 0.0267635
|
|
|
|
k-point: 24 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 0.0000011 -0.0000007 0.0170600 -0.0108998 -0.0170602 0.0108999 0.0000004 -0.0000003 -0.0170605 0.0109001
|
|
2 0.0038645 0.0059566 -0.0055370 -0.0085153 -0.0045289 -0.0069615 0.0222873 0.0342680 -0.0010075 -0.0015529
|
|
3 0.0408164 -0.0022443 -0.0037212 0.0002028 0.0069230 -0.0003825 -0.0070892 0.0003979 -0.0106425 0.0005852
|
|
4 0.0000001 -0.0000001 0.1745731 -0.0065043 -0.1745730 0.0065044 -0.0000000 -0.0000001 -0.1745729 0.0065043
|
|
5 0.0000000 0.0000000 0.1028571 -0.0158214 -0.1028571 0.0158214 -0.0000000 -0.0000000 -0.1028571 0.0158214
|
|
6 0.3589701 0.0209786 -0.0267858 -0.0013967 0.0569006 0.0034940 -0.0745799 -0.0051941 -0.0836863 -0.0048907
|
|
7 0.0033831 -0.0746840 -0.0044885 0.0811881 -0.0036999 0.0637771 0.0202787 -0.3590103 -0.0007887 0.0174110
|
|
8 0.0310173 -0.0375320 0.0571143 -0.0688301 -0.0708279 0.0859843 -0.0019195 0.0024010 0.1279421 -0.1548143
|
|
9 0.0006867 -0.0029963 0.0375101 -0.1763259 0.0346776 -0.1639665 0.0101040 -0.0476302 0.0028325 -0.0123594
|
|
10 0.0000000 -0.0000000 -0.0762350 0.0068652 0.0762350 -0.0068652 -0.0000000 -0.0000000 0.0762350 -0.0068652
|
|
11 0.0000001 -0.0000000 -0.1776099 0.0758211 0.1776099 -0.0758211 -0.0000000 0.0000000 0.1776099 -0.0758210
|
|
12 -0.0099881 -0.1683987 0.0026681 0.0475023 0.0038281 0.0670614 0.0322919 0.5694808 -0.0011601 -0.0195589
|
|
13 -0.4819394 -0.3050993 -0.0423012 -0.0268316 0.0136747 0.0086048 -0.1422986 -0.0906033 -0.0559756 -0.0354363
|
|
14 -0.0000001 0.0000001 0.3083102 -0.1539574 -0.3083103 0.1539574 0.0000001 0.0000000 -0.3083103 0.1539574
|
|
15 -0.0200281 0.1027955 0.0627002 -0.3211280 -0.0319254 0.1645438 -0.0037607 0.0191346 0.0946255 -0.4856717
|
|
16 0.0004012 0.0194965 0.0071658 0.3823791 0.0090616 0.4744930 -0.0019830 -0.1047096 -0.0018957 -0.0921139
|
|
17 0.0796578 -0.0188076 -0.0205315 0.0048476 -0.0042442 0.0010021 0.0699588 -0.0165177 -0.0162873 0.0038455
|
|
18 -0.0716521 -0.0057489 -0.0071214 -0.0005714 -0.0217719 -0.0017468 0.0815858 0.0065458 0.0146504 0.0011755
|
|
19 -0.0000000 0.0000000 0.0000000 -0.0000000 0.0000000 -0.0000000 0.0000000 -0.0000000 0.0000000 -0.0000000
|
|
20 -0.0000002 -0.0000001 -0.3162085 -0.1839023 0.3162086 0.1839023 0.0000000 0.0000000 0.3162043 0.1838998
|
|
21 -0.0001707 -0.0000993 0.3942547 0.2293009 0.3964525 0.2305790 0.0354534 0.0206199 -0.0021980 -0.0012783
|
|
22 0.0284314 0.0295598 0.1845727 0.1918985 -0.1815200 -0.1887244 0.0001369 0.0001423 0.3660974 0.3806279
|
|
23 0.0266548 0.0171499 -0.0145155 -0.0093394 -0.0137336 -0.0088363 0.5559330 0.3576915 -0.0007820 -0.0005031
|
|
24 -0.0480363 0.6593158 0.0006461 -0.0088681 -0.0007631 0.0104744 0.0023031 -0.0316116 0.0014093 -0.0193426
|
|
25 0.0000000 0.0000000 -0.0316647 -0.0653388 0.0316647 0.0653388 -0.0000000 -0.0000000 0.0316647 0.0653389
|
|
26 0.0000112 -0.0000106 -0.0449307 0.0424303 -0.0442145 0.0417540 0.0008075 -0.0007626 -0.0007162 0.0006764
|
|
27 -0.0009837 -0.0005156 0.0305936 0.0160371 -0.0321047 -0.0168293 0.0000137 0.0000072 0.0626984 0.0328665
|
|
28 0.0011100 0.0004871 -0.0519849 -0.0228135 -0.0494302 -0.0216924 0.0254416 0.0111650 -0.0025547 -0.0011211
|
|
29 0.0257362 0.0104680 -0.0273770 -0.0111353 0.0318531 0.0129560 -0.0011229 -0.0004567 -0.0592301 -0.0240913
|
|
30 -0.0000000 -0.0000002 0.1016188 0.0209369 -0.1016191 -0.0209369 0.0000001 0.0000000 -0.1016187 -0.0209363
|
|
31 -0.0000084 -0.0000109 -0.0307499 0.0618584 0.0307277 -0.0618461 0.0000061 -0.0000029 0.0307682 -0.0618160
|
|
32 -0.0010108 -0.0211936 0.0860420 0.0339104 0.0837422 -0.0141492 -0.0432301 -0.0050303 0.0022917 0.0480537
|
|
|
|
k-point: 25 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 -0.0011294 -0.0053293 0.0000000 -0.0000000 0.0065478 0.0308962 0.0018777 0.0088601 -0.0000000 0.0000000
|
|
2 -0.0367806 -0.0163499 0.0000000 0.0000000 0.0000009 0.0000004 -0.0203762 -0.0090577 -0.0000000 -0.0000000
|
|
3 0.0000000 0.0000000 0.0024780 -0.0051309 0.0000000 -0.0000000 -0.0000000 0.0000000 0.0024780 -0.0051309
|
|
4 0.0067748 -0.0102782 0.0000001 -0.0000001 0.1871648 -0.2839501 -0.0112597 0.0170823 -0.0000002 0.0000001
|
|
5 -0.1948878 -0.0345587 0.0000000 0.0000000 -0.0646913 -0.0114715 0.3239048 0.0574367 -0.0000000 -0.0000000
|
|
6 -0.3192239 0.0883562 -0.0000000 -0.0000000 -0.0000000 0.0000000 -0.1768507 0.0489495 0.0000000 0.0000000
|
|
7 -0.1731328 0.1584565 -0.0000000 -0.0000000 0.0396958 -0.0363308 0.2877478 -0.2633558 -0.0000000 0.0000000
|
|
8 -0.0000000 0.0000000 0.0741968 0.0261872 -0.0000000 0.0000000 0.0000000 -0.0000000 0.0741969 0.0261873
|
|
9 -0.0232033 0.0575728 -0.0000000 -0.0000000 -0.0000000 0.0000000 -0.0128547 0.0318954 0.0000000 0.0000000
|
|
10 -0.0017615 0.0018831 0.0000000 0.0000000 -0.0755858 0.0808035 0.0029276 -0.0031297 -0.0000000 -0.0000000
|
|
11 -0.1065677 -0.0200978 0.0000000 0.0000000 -0.3442878 -0.0649297 0.1771163 0.0334026 -0.0000000 -0.0000001
|
|
12 -0.0815007 0.0063631 -0.0000001 -0.0000001 0.5446573 -0.0425236 0.1354561 -0.0105757 0.0000001 0.0000001
|
|
13 0.3857673 0.3021884 -0.0000000 -0.0000000 -0.0000007 -0.0000005 0.2137158 0.1674128 0.0000000 0.0000001
|
|
14 0.0000001 -0.0000000 -0.0788943 -0.3112870 0.0000000 0.0000000 -0.0000000 0.0000000 -0.0788943 -0.3112871
|
|
15 0.0000001 -0.0000000 0.3575089 -0.2152041 0.0000001 -0.0000000 -0.0000001 0.0000000 -0.3575089 0.2152040
|
|
16 -0.0215556 -0.0329924 -0.0000000 -0.0000001 0.0017235 0.0026381 0.0358254 0.0548336 0.0000000 0.0000001
|
|
17 0.0000000 -0.0000000 0.0313262 -0.2577940 -0.0000000 0.0000000 0.0000000 -0.0000000 0.0313262 -0.2577940
|
|
18 -0.1493548 -0.0209011 0.0000000 0.0000000 0.0000000 0.0000000 -0.0827429 -0.0115793 0.0000000 0.0000000
|
|
19 0.0183594 -0.0508653 0.0000000 -0.0000000 0.0000000 -0.0000000 0.0101712 -0.0281795 0.0000000 -0.0000000
|
|
20 0.0000000 -0.0000000 0.3541633 -0.4200440 0.0000000 -0.0000000 -0.0000000 0.0000000 0.3541611 -0.4200415
|
|
21 0.0000000 -0.0000000 0.5009852 -0.2240017 -0.0000000 0.0000000 -0.0000000 0.0000000 -0.5009882 0.2240031
|
|
22 -0.0214447 0.0040681 -0.0000000 0.0000000 -0.5820188 0.1104112 0.0356413 -0.0067613 0.0000000 -0.0000000
|
|
23 -0.2731518 0.2743610 0.0000000 -0.0000000 0.0060497 -0.0060765 0.4539802 -0.4559899 -0.0000000 0.0000000
|
|
24 0.2930479 -0.4588350 -0.0000000 0.0000000 -0.0000000 0.0000000 0.1623492 -0.2541955 -0.0000000 0.0000000
|
|
25 -0.0198079 0.0371409 -0.0000000 0.0000000 0.0622801 -0.1167785 0.0329209 -0.0617285 -0.0000000 0.0000000
|
|
26 -0.0238652 -0.0210357 -0.0000000 -0.0000000 -0.0794100 -0.0699951 0.0396641 0.0349615 0.0000000 0.0000000
|
|
27 -0.0441638 0.0725421 0.0000000 -0.0000000 0.0000000 -0.0000000 -0.0244668 0.0401885 0.0000000 -0.0000000
|
|
28 0.0000000 -0.0000000 0.0062007 -0.0262346 -0.0000000 -0.0000000 0.0000000 -0.0000000 0.0062007 -0.0262346
|
|
29 0.0000000 0.0000000 -0.0070397 -0.0062393 -0.0000000 -0.0000000 0.0000000 -0.0000000 0.0070397 0.0062393
|
|
30 0.0001200 0.0122675 -0.0000000 0.0000000 0.0014904 0.1523776 -0.0001994 -0.0203887 0.0000000 -0.0000000
|
|
31 -0.0456883 -0.0558262 0.0000042 0.0000059 0.0000014 0.0000006 -0.0253103 -0.0309274 0.0000041 0.0000055
|
|
32 -0.0004467 -0.0267625 -0.0000020 0.0000071 0.0011695 0.0696590 0.0007488 0.0444736 -0.0000009 0.0000050
|
|
|
|
k-point: 26 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 0.0000012 -0.0000004 -0.0191625 0.0065305 0.0191627 -0.0065306 0.0000005 -0.0000002 -0.0191631 0.0065307
|
|
2 -0.0056443 0.0056448 -0.0072388 0.0072362 -0.0057665 0.0057638 -0.0287959 0.0287839 0.0014715 -0.0014716
|
|
3 0.0402586 -0.0060794 0.0034669 -0.0005240 -0.0070319 0.0010614 -0.0078934 0.0011899 -0.0104970 0.0015852
|
|
4 -0.0000001 0.0000000 0.1122925 -0.1338217 -0.1122925 0.1338219 0.0000001 0.0000001 0.1122925 -0.1338219
|
|
5 -0.0000000 -0.0000000 0.0177040 0.1025498 -0.0177040 -0.1025498 0.0000000 0.0000000 0.0177040 0.1025498
|
|
6 -0.2813362 -0.2242746 -0.0211422 -0.0168707 0.0444455 0.0354143 0.0577113 0.0459237 0.0655876 0.0522849
|
|
7 0.0696396 -0.0242882 0.0766848 -0.0268126 0.0604498 -0.0211503 0.3396176 -0.1187814 -0.0162350 0.0056623
|
|
8 -0.0468255 -0.0130512 0.0822560 0.0230789 -0.1108924 -0.0307553 0.0040082 0.0010745 -0.1931485 -0.0538342
|
|
9 0.0008680 -0.0040579 -0.0364289 0.1785265 -0.0328484 0.1617881 0.0096966 -0.0476333 0.0035805 -0.0167383
|
|
10 0.0000000 -0.0000000 0.0665544 0.0378078 -0.0665544 -0.0378078 -0.0000000 -0.0000000 0.0665544 0.0378078
|
|
11 -0.0000001 0.0000000 -0.1286532 0.1440226 0.1286532 -0.1440225 0.0000000 0.0000000 -0.1286532 0.1440226
|
|
12 0.1622172 -0.0388976 0.0464254 -0.0111339 0.0652665 -0.0156517 -0.5552056 0.1331479 0.0188409 -0.0045178
|
|
13 0.3859999 -0.4206967 -0.0337600 0.0367953 0.0110728 -0.0120674 0.1127752 -0.1229195 0.0448326 -0.0488625
|
|
14 0.0000001 -0.0000001 0.2112891 -0.2722409 -0.2112891 0.2722408 -0.0000001 -0.0000000 0.2112891 -0.2722409
|
|
15 -0.0522528 0.0907230 -0.0833265 0.1444960 0.1635490 -0.2841377 0.0098032 -0.0170642 0.2468755 -0.4286337
|
|
16 -0.0160459 0.0113938 -0.3869096 0.2753146 -0.3110985 0.2214831 -0.0852965 0.0607086 0.0758111 -0.0538314
|
|
17 0.0753920 -0.0294484 -0.0043170 0.0016862 -0.0197322 0.0077074 -0.0679076 0.0265245 -0.0154151 0.0060212
|
|
18 0.0458969 -0.0566433 0.0137151 -0.0169263 0.0043307 -0.0053446 0.0509559 -0.0628862 -0.0093844 0.0115817
|
|
19 -0.0000000 0.0000000 0.0000000 -0.0000000 0.0000000 -0.0000000 -0.0000000 0.0000000 0.0000000 -0.0000000
|
|
20 0.0000001 -0.0000002 -0.1521812 0.3326391 0.1521812 -0.3326391 -0.0000000 0.0000000 -0.1521792 0.3326347
|
|
21 0.0002321 -0.0005562 0.1746142 -0.4184644 0.1776027 -0.4256265 -0.0157926 0.0378470 0.0029886 -0.0071622
|
|
22 0.0381021 -0.0151667 -0.2515530 0.1001313 0.2390641 -0.0951602 0.0005600 -0.0002229 0.4906235 -0.1952940
|
|
23 -0.0313632 -0.0055780 -0.0169959 -0.0030228 -0.0160758 -0.0028591 -0.6508423 -0.1157539 0.0009201 0.0001636
|
|
24 0.1519296 0.6433599 0.0020426 0.0086496 -0.0024146 -0.0102249 -0.0073213 -0.0310027 -0.0044572 -0.0188745
|
|
25 -0.0000000 0.0000000 0.0002408 0.0726069 -0.0002408 -0.0726069 0.0000000 -0.0000000 0.0002408 0.0726069
|
|
26 -0.0000026 -0.0000024 0.0446110 0.0418946 0.0447758 0.0420495 0.0008097 0.0007604 0.0001648 0.0001549
|
|
27 0.0007733 0.0007974 0.0247791 0.0255529 -0.0245064 -0.0252718 0.0000025 0.0000025 -0.0492855 -0.0508247
|
|
28 0.0024849 0.0003695 -0.0517415 -0.0076965 -0.0574603 -0.0085469 -0.0273950 -0.0040749 -0.0057188 -0.0008504
|
|
29 0.0268586 0.0067605 0.0357622 0.0090017 -0.0260511 -0.0065570 0.0024362 0.0006133 -0.0618133 -0.0155587
|
|
30 -0.0000001 0.0000001 -0.0820222 0.0635386 0.0820219 -0.0635388 -0.0000001 0.0000001 -0.0820216 0.0635382
|
|
31 -0.0000016 0.0000019 -0.0405072 -0.0559369 0.0405032 0.0559370 -0.0000010 0.0000002 -0.0405001 -0.0559427
|
|
32 0.0133755 0.0142384 0.0142337 -0.0708539 -0.0160971 -0.1031382 -0.0004727 -0.0443005 -0.0303250 -0.0322871
|
|
|
|
k-point: 27 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 -0.0000010 -0.0000008 -0.0160998 -0.0122737 -0.0161000 -0.0122738 -0.0000004 -0.0000003 -0.0161003 -0.0122740
|
|
2 -0.0075954 -0.0008693 0.0101398 0.0011603 -0.0081586 -0.0009335 -0.0405154 -0.0046361 -0.0019802 -0.0002266
|
|
3 -0.0277354 0.0298954 0.0024423 -0.0026325 0.0047906 -0.0051637 0.0051994 -0.0056046 -0.0072317 0.0077949
|
|
4 0.0000000 -0.0000001 0.1239800 0.1230727 0.1239800 0.1230727 0.0000000 0.0000000 0.1239800 0.1230726
|
|
5 -0.0000000 -0.0000000 -0.0831865 -0.0625292 -0.0831865 -0.0625292 0.0000000 0.0000000 -0.0831865 -0.0625292
|
|
6 0.2814453 -0.2241092 -0.0211445 0.0168364 -0.0444686 0.0354100 -0.0577628 0.0459979 0.0656131 -0.0522464
|
|
7 -0.0326790 0.0662150 0.0359538 -0.0728551 -0.0283354 0.0574184 -0.1592138 0.3226257 -0.0076184 0.0154367
|
|
8 -0.0174318 0.0454172 -0.0312500 0.0813709 -0.0406539 0.1059686 0.0013163 -0.0034429 0.0719039 -0.1873395
|
|
9 0.0035504 -0.0009905 0.1746499 -0.0489598 -0.1600052 0.0448743 0.0468412 -0.0131338 -0.0146447 0.0040855
|
|
10 -0.0000000 -0.0000000 -0.0765179 -0.0019803 -0.0765179 -0.0019803 -0.0000000 -0.0000000 -0.0765179 -0.0019803
|
|
11 0.0000001 0.0000000 -0.1913920 -0.0257530 -0.1913920 -0.0257530 -0.0000000 -0.0000000 -0.1913920 -0.0257530
|
|
12 -0.1149507 -0.1226732 0.0325665 0.0347542 -0.0459177 -0.0490024 0.3901350 0.4163429 0.0133511 0.0142481
|
|
13 0.5559247 0.1284306 0.0487605 0.0112647 0.0158085 0.0036521 0.1638000 0.0378409 -0.0645688 -0.0149168
|
|
14 0.0000001 0.0000000 -0.3319918 -0.0924100 -0.3319918 -0.0924100 -0.0000000 -0.0000000 -0.3319918 -0.0924100
|
|
15 -0.0902642 0.0565745 0.2127096 -0.1333788 0.2137561 -0.1339152 0.0001279 -0.0000656 -0.4264657 0.2672940
|
|
16 -0.0001437 -0.0000030 0.4337315 0.0464891 -0.4330527 -0.0464750 -0.1059209 -0.0113602 -0.0006788 -0.0000140
|
|
17 0.0014560 0.0091010 0.0028887 0.0180478 -0.0031864 -0.0199086 -0.0171543 -0.1071772 0.0002977 0.0018608
|
|
18 0.1075346 0.0147484 -0.0126105 -0.0017294 -0.0093767 -0.0012861 0.0091313 0.0012517 0.0219872 0.0030155
|
|
19 0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 0.0000000 0.0000000 -0.0000000 -0.0000000 0.0000000
|
|
20 -0.0000003 0.0000000 -0.3644791 0.0310293 -0.3644792 0.0310293 0.0000000 -0.0000000 -0.3644743 0.0310289
|
|
21 -0.0003610 -0.0001685 0.4121180 0.1923052 -0.4167665 -0.1944743 0.0371652 0.0173423 0.0046487 0.0021692
|
|
22 -0.0325343 0.0249704 -0.2129861 0.1634692 -0.2059377 0.1580595 -0.0003160 0.0002426 0.4189292 -0.3215328
|
|
23 0.0078536 0.0307377 -0.0042730 -0.0167237 0.0040425 0.0158219 0.1636465 0.6404863 0.0002304 0.0009018
|
|
24 -0.6335228 0.1888169 0.0085205 -0.0025395 0.0100654 -0.0029999 0.0304035 -0.0090615 -0.0185859 0.0055394
|
|
25 0.0000000 0.0000000 -0.0465432 -0.0557274 -0.0465432 -0.0557274 -0.0000000 -0.0000000 -0.0465432 -0.0557274
|
|
26 -0.0000041 -0.0000044 0.0419175 0.0450068 -0.0416555 -0.0447255 -0.0007570 -0.0008128 -0.0002621 -0.0002813
|
|
27 0.0006143 -0.0009254 -0.0193933 0.0292141 -0.0197617 0.0297689 -0.0000033 0.0000050 0.0391549 -0.0589831
|
|
28 0.0005088 -0.0004181 0.0422256 -0.0347011 -0.0433965 0.0356632 -0.0214796 0.0176520 0.0011709 -0.0009621
|
|
29 -0.0247339 -0.0126965 0.0296293 0.0152094 0.0272940 0.0140108 -0.0005858 -0.0003007 -0.0569233 -0.0292202
|
|
30 0.0000002 0.0000003 -0.0299298 -0.0993439 -0.0299292 -0.0993424 0.0000003 0.0000004 -0.0299296 -0.0993417
|
|
31 0.0000022 -0.0000013 -0.0604489 -0.0334085 -0.0604392 -0.0334177 0.0000025 -0.0000025 -0.0604359 -0.0334172
|
|
32 -0.0305247 0.0239209 -0.0001283 0.0179839 0.0693393 -0.0722246 0.0176880 -0.0229697 -0.0692146 0.0542397
|
|
|