mirror of https://gitlab.com/QEF/q-e.git
582 lines
39 KiB
Plaintext
582 lines
39 KiB
Plaintext
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=-------------------------------------------------------------------=
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Hubbard U parameters:
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site n. type label spin new_type new_label Hubbard U (eV)
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1 1 Co 1 1 Co 7.7514
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2 2 O 1 2 O 8.0439
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3 2 O 1 2 O 8.0439
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=-------------------------------------------------------------------=
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Hubbard V parameters:
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(adapted for a supercell 3x3x3)
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Atom 1 Atom 2 Distance (Bohr) Hubbard V (eV)
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1 Co 1 Co 0.000000 7.7514
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1 Co 19 O 3.630748 0.7573
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1 Co 46 O 3.630748 0.7573
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1 Co 43 O 3.630748 0.7573
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1 Co 54 O 3.630748 0.7573
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1 Co 11 O 3.630748 0.7573
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1 Co 22 O 3.630748 0.7573
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1 Co 49 Co 5.321586 -0.2300
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1 Co 25 Co 5.321586 -0.2300
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1 Co 33 Co 5.321586 -0.2300
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1 Co 30 O 6.442175 -0.0415
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1 Co 14 O 6.442175 -0.0415
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1 Co 2 O 6.917913 -0.0586
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1 Co 7 O 6.917913 -0.0586
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1 Co 62 O 8.727932 -0.1109
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1 Co 26 O 8.727932 -0.1109
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1 Co 86 O 8.727932 -0.1109
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1 Co 50 O 8.727932 -0.1109
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1 Co 34 O 8.727932 -0.1109
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1 Co 78 O 8.727932 -0.1109
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1 Co 45 Co 9.370500 -0.1265
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1 Co 53 Co 9.370500 -0.1265
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1 Co 21 Co 9.370500 -0.1265
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1 Co 13 Co 10.776156 -0.1429
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2 O 2 O 0.000000 8.0439
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2 O 65 Co 3.630748 0.7573
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2 O 89 Co 3.630748 0.7573
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2 O 57 Co 3.630748 0.7573
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2 O 47 O 4.940654 0.3881
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2 O 23 O 4.940654 0.3881
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2 O 55 O 4.940654 0.3881
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2 O 50 O 5.321586 0.8715
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2 O 26 O 5.321586 0.8715
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2 O 34 O 5.321586 0.8715
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2 O 19 O 5.854351 0.1696
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2 O 11 O 5.854351 0.1696
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2 O 43 O 5.854351 0.1696
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2 O 37 Co 6.442175 -0.0415
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2 O 1 Co 6.917913 -0.0586
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2 O 15 O 7.261497 0.2185
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2 O 49 Co 8.727932 -0.1109
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2 O 25 Co 8.727932 -0.1109
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2 O 33 Co 8.727932 -0.1109
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2 O 46 O 9.370500 -0.2751
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2 O 54 O 9.370500 -0.2751
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2 O 22 O 9.370500 -0.2751
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2 O 14 O 10.776156 -0.2592
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3 O 3 O 0.000000 8.0439
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3 O 93 Co 3.630748 0.7573
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3 O 101 Co 3.630748 0.7573
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3 O 69 Co 3.630748 0.7573
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3 O 66 O 4.940654 0.3881
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3 O 90 O 4.940654 0.3881
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3 O 58 O 4.940654 0.3881
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3 O 51 O 5.321586 0.8715
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3 O 27 O 5.321586 0.8715
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3 O 35 O 5.321586 0.8715
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3 O 94 O 5.854351 0.1696
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3 O 102 O 5.854351 0.1696
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3 O 70 O 5.854351 0.1696
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3 O 105 Co 6.917913 -0.0586
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3 O 38 O 7.261497 0.2185
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3 O 47 O 9.370500 -0.2751
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3 O 55 O 9.370500 -0.2751
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3 O 23 O 9.370500 -0.2751
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3 O 15 O 10.776156 -0.2592
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=-------------------------------------------------------------------=
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6 nearest neighbors of every atom are written to HUBBARD.dat
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chi0 matrix :
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-0.493413 0.000137 0.019909 0.000778 0.035779 -0.000012 0.000778 0.035779
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-0.000012 0.076695 -0.000012 0.035779 0.000778 0.035779 -0.000012 0.076695
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-0.000012 0.035779 0.076695 -0.000012 0.035779 -0.000006 0.019909 0.000137
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0.000137 -0.220237 0.000211 0.035779 0.000135 0.006147 0.035779 0.000135
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0.006147 -0.000012 0.000517 -0.000077 0.035779 0.000135 0.006147 -0.000012
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0.000517 -0.000077 -0.000012 0.000517 -0.000077 0.019909 -0.000060 0.045558
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0.019909 0.000211 -0.220237 -0.000012 0.006147 0.000135 -0.000012 0.006147
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0.000135 0.035779 -0.000077 0.000517 -0.000012 0.006147 0.000135 0.035779
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-0.000077 0.000517 0.035779 -0.000077 0.000517 0.000137 0.045558 -0.000060
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0.000778 0.035779 -0.000012 -0.493413 0.000137 0.019909 0.076695 -0.000012
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0.035779 0.000778 0.035779 -0.000012 0.076695 -0.000012 0.035779 0.000778
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0.035779 -0.000012 -0.000006 0.019909 0.000137 0.076695 -0.000012 0.035779
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0.035779 0.000135 0.006147 0.000137 -0.220237 0.000211 -0.000012 0.000517
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-0.000077 0.035779 0.000135 0.006147 -0.000012 0.000517 -0.000077 0.035779
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0.000135 0.006147 0.019909 -0.000060 0.045558 -0.000012 0.000517 -0.000077
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-0.000012 0.006147 0.000135 0.019909 0.000211 -0.220237 0.035779 -0.000077
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0.000517 -0.000012 0.006147 0.000135 0.035779 -0.000077 0.000517 -0.000012
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0.006147 0.000135 0.000137 0.045558 -0.000060 0.035779 -0.000077 0.000517
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0.000778 0.035779 -0.000012 0.076695 -0.000012 0.035779 -0.493413 0.000137
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0.019909 0.000778 0.035779 -0.000012 0.076695 -0.000012 0.035779 -0.000006
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0.019909 0.000137 0.000778 0.035779 -0.000012 0.076695 -0.000012 0.035779
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0.035779 0.000135 0.006147 -0.000012 0.000517 -0.000077 0.000137 -0.220237
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0.000211 0.035779 0.000135 0.006147 -0.000012 0.000517 -0.000077 0.019909
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-0.000060 0.045558 0.035779 0.000135 0.006147 -0.000012 0.000517 -0.000077
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-0.000012 0.006147 0.000135 0.035779 -0.000077 0.000517 0.019909 0.000211
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-0.220237 -0.000012 0.006147 0.000135 0.035779 -0.000077 0.000517 0.000137
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0.045558 -0.000060 -0.000012 0.006147 0.000135 0.035779 -0.000077 0.000517
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0.076695 -0.000012 0.035779 0.000778 0.035779 -0.000012 0.000778 0.035779
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-0.000012 -0.493413 0.000137 0.019909 -0.000006 0.019909 0.000137 0.076695
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-0.000012 0.035779 0.076695 -0.000012 0.035779 0.000778 0.035779 -0.000012
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-0.000012 0.000517 -0.000077 0.035779 0.000135 0.006147 0.035779 0.000135
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0.006147 0.000137 -0.220237 0.000211 0.019909 -0.000060 0.045558 -0.000012
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0.000517 -0.000077 -0.000012 0.000517 -0.000077 0.035779 0.000135 0.006147
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0.035779 -0.000077 0.000517 -0.000012 0.006147 0.000135 -0.000012 0.006147
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0.000135 0.019909 0.000211 -0.220237 0.000137 0.045558 -0.000060 0.035779
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-0.000077 0.000517 0.035779 -0.000077 0.000517 -0.000012 0.006147 0.000135
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0.000778 0.035779 -0.000012 0.076695 -0.000012 0.035779 0.076695 -0.000012
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0.035779 -0.000006 0.019909 0.000137 -0.493413 0.000137 0.019909 0.000778
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0.035779 -0.000012 0.000778 0.035779 -0.000012 0.076695 -0.000012 0.035779
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0.035779 0.000135 0.006147 -0.000012 0.000517 -0.000077 -0.000012 0.000517
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-0.000077 0.019909 -0.000060 0.045558 0.000137 -0.220237 0.000211 0.035779
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0.000135 0.006147 0.035779 0.000135 0.006147 -0.000012 0.000517 -0.000077
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-0.000012 0.006147 0.000135 0.035779 -0.000077 0.000517 0.035779 -0.000077
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0.000517 0.000137 0.045558 -0.000060 0.019909 0.000211 -0.220237 -0.000012
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0.006147 0.000135 -0.000012 0.006147 0.000135 0.035779 -0.000077 0.000517
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0.076695 -0.000012 0.035779 0.000778 0.035779 -0.000012 -0.000006 0.019909
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0.000137 0.076695 -0.000012 0.035779 0.000778 0.035779 -0.000012 -0.493413
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0.000137 0.019909 0.076695 -0.000012 0.035779 0.000778 0.035779 -0.000012
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-0.000012 0.000517 -0.000077 0.035779 0.000135 0.006147 0.019909 -0.000060
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0.045558 -0.000012 0.000517 -0.000077 0.035779 0.000135 0.006147 0.000137
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-0.220237 0.000211 -0.000012 0.000517 -0.000077 0.035779 0.000135 0.006147
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0.035779 -0.000077 0.000517 -0.000012 0.006147 0.000135 0.000137 0.045558
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-0.000060 0.035779 -0.000077 0.000517 -0.000012 0.006147 0.000135 0.019909
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0.000211 -0.220237 0.035779 -0.000077 0.000517 -0.000012 0.006147 0.000135
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0.076695 -0.000012 0.035779 -0.000006 0.019909 0.000137 0.000778 0.035779
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-0.000012 0.076695 -0.000012 0.035779 0.000778 0.035779 -0.000012 0.076695
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-0.000012 0.035779 -0.493413 0.000137 0.019909 0.000778 0.035779 -0.000012
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-0.000012 0.000517 -0.000077 0.019909 -0.000060 0.045558 0.035779 0.000135
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0.006147 -0.000012 0.000517 -0.000077 0.035779 0.000135 0.006147 -0.000012
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0.000517 -0.000077 0.000137 -0.220237 0.000211 0.035779 0.000135 0.006147
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0.035779 -0.000077 0.000517 0.000137 0.045558 -0.000060 -0.000012 0.006147
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0.000135 0.035779 -0.000077 0.000517 -0.000012 0.006147 0.000135 0.035779
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-0.000077 0.000517 0.019909 0.000211 -0.220237 -0.000012 0.006147 0.000135
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-0.000006 0.019909 0.000137 0.076695 -0.000012 0.035779 0.076695 -0.000012
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0.035779 0.000778 0.035779 -0.000012 0.076695 -0.000012 0.035779 0.000778
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0.035779 -0.000012 0.000778 0.035779 -0.000012 -0.493413 0.000137 0.019909
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0.019909 -0.000060 0.045558 -0.000012 0.000517 -0.000077 -0.000012 0.000517
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-0.000077 0.035779 0.000135 0.006147 -0.000012 0.000517 -0.000077 0.035779
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0.000135 0.006147 0.035779 0.000135 0.006147 0.000137 -0.220237 0.000211
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0.000137 0.045558 -0.000060 0.035779 -0.000077 0.000517 0.035779 -0.000077
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0.000517 -0.000012 0.006147 0.000135 0.035779 -0.000077 0.000517 -0.000012
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0.006147 0.000135 -0.000012 0.006147 0.000135 0.019909 0.000211 -0.220237
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chi matrix :
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-0.099713 0.000302 0.002724 0.000053 0.010635 -0.000043 0.000053 0.010635
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-0.000043 0.004465 -0.000043 0.010635 0.000053 0.010635 -0.000043 0.004465
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-0.000043 0.010635 0.004465 -0.000043 0.010635 0.000005 0.002724 0.000302
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0.000302 -0.080128 0.000368 0.010635 -0.001271 0.002508 0.010635 -0.001271
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0.002508 -0.000043 0.005051 0.001545 0.010635 -0.001271 0.002508 -0.000043
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0.005051 0.001545 -0.000043 0.005051 0.001545 0.002724 -0.000982 0.006753
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0.002724 0.000368 -0.080128 -0.000043 0.002508 -0.001271 -0.000043 0.002508
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-0.001271 0.010635 0.001545 0.005051 -0.000043 0.002508 -0.001271 0.010635
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0.001545 0.005051 0.010635 0.001545 0.005051 0.000302 0.006753 -0.000982
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0.000053 0.010635 -0.000043 -0.099713 0.000302 0.002724 0.004465 -0.000043
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0.010635 0.000053 0.010635 -0.000043 0.004465 -0.000043 0.010635 0.000053
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0.010635 -0.000043 0.000005 0.002724 0.000302 0.004465 -0.000043 0.010635
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0.010635 -0.001271 0.002508 0.000302 -0.080128 0.000368 -0.000043 0.005051
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0.001545 0.010635 -0.001271 0.002508 -0.000043 0.005051 0.001545 0.010635
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-0.001271 0.002508 0.002724 -0.000982 0.006753 -0.000043 0.005051 0.001545
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-0.000043 0.002508 -0.001271 0.002724 0.000368 -0.080128 0.010635 0.001545
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0.005051 -0.000043 0.002508 -0.001271 0.010635 0.001545 0.005051 -0.000043
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0.002508 -0.001271 0.000302 0.006753 -0.000982 0.010635 0.001545 0.005051
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0.000053 0.010635 -0.000043 0.004465 -0.000043 0.010635 -0.099713 0.000302
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0.002724 0.000053 0.010635 -0.000043 0.004465 -0.000043 0.010635 0.000005
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0.002724 0.000302 0.000053 0.010635 -0.000043 0.004465 -0.000043 0.010635
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0.010635 -0.001271 0.002508 -0.000043 0.005051 0.001545 0.000302 -0.080128
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0.000368 0.010635 -0.001271 0.002508 -0.000043 0.005051 0.001545 0.002724
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-0.000982 0.006753 0.010635 -0.001271 0.002508 -0.000043 0.005051 0.001545
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-0.000043 0.002508 -0.001271 0.010635 0.001545 0.005051 0.002724 0.000368
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-0.080128 -0.000043 0.002508 -0.001271 0.010635 0.001545 0.005051 0.000302
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0.006753 -0.000982 -0.000043 0.002508 -0.001271 0.010635 0.001545 0.005051
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0.004465 -0.000043 0.010635 0.000053 0.010635 -0.000043 0.000053 0.010635
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|
-0.000043 -0.099713 0.000302 0.002724 0.000005 0.002724 0.000302 0.004465
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|
-0.000043 0.010635 0.004465 -0.000043 0.010635 0.000053 0.010635 -0.000043
|
|
|
|
-0.000043 0.005051 0.001545 0.010635 -0.001271 0.002508 0.010635 -0.001271
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|
0.002508 0.000302 -0.080128 0.000368 0.002724 -0.000982 0.006753 -0.000043
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0.005051 0.001545 -0.000043 0.005051 0.001545 0.010635 -0.001271 0.002508
|
|
|
|
0.010635 0.001545 0.005051 -0.000043 0.002508 -0.001271 -0.000043 0.002508
|
|
-0.001271 0.002724 0.000368 -0.080128 0.000302 0.006753 -0.000982 0.010635
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|
0.001545 0.005051 0.010635 0.001545 0.005051 -0.000043 0.002508 -0.001271
|
|
|
|
0.000053 0.010635 -0.000043 0.004465 -0.000043 0.010635 0.004465 -0.000043
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|
0.010635 0.000005 0.002724 0.000302 -0.099713 0.000302 0.002724 0.000053
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|
0.010635 -0.000043 0.000053 0.010635 -0.000043 0.004465 -0.000043 0.010635
|
|
|
|
0.010635 -0.001271 0.002508 -0.000043 0.005051 0.001545 -0.000043 0.005051
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|
0.001545 0.002724 -0.000982 0.006753 0.000302 -0.080128 0.000368 0.010635
|
|
-0.001271 0.002508 0.010635 -0.001271 0.002508 -0.000043 0.005051 0.001545
|
|
|
|
-0.000043 0.002508 -0.001271 0.010635 0.001545 0.005051 0.010635 0.001545
|
|
0.005051 0.000302 0.006753 -0.000982 0.002724 0.000368 -0.080128 -0.000043
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|
0.002508 -0.001271 -0.000043 0.002508 -0.001271 0.010635 0.001545 0.005051
|
|
|
|
0.004465 -0.000043 0.010635 0.000053 0.010635 -0.000043 0.000005 0.002724
|
|
0.000302 0.004465 -0.000043 0.010635 0.000053 0.010635 -0.000043 -0.099713
|
|
0.000302 0.002724 0.004465 -0.000043 0.010635 0.000053 0.010635 -0.000043
|
|
|
|
-0.000043 0.005051 0.001545 0.010635 -0.001271 0.002508 0.002724 -0.000982
|
|
0.006753 -0.000043 0.005051 0.001545 0.010635 -0.001271 0.002508 0.000302
|
|
-0.080128 0.000368 -0.000043 0.005051 0.001545 0.010635 -0.001271 0.002508
|
|
|
|
0.010635 0.001545 0.005051 -0.000043 0.002508 -0.001271 0.000302 0.006753
|
|
-0.000982 0.010635 0.001545 0.005051 -0.000043 0.002508 -0.001271 0.002724
|
|
0.000368 -0.080128 0.010635 0.001545 0.005051 -0.000043 0.002508 -0.001271
|
|
|
|
0.004465 -0.000043 0.010635 0.000005 0.002724 0.000302 0.000053 0.010635
|
|
-0.000043 0.004465 -0.000043 0.010635 0.000053 0.010635 -0.000043 0.004465
|
|
-0.000043 0.010635 -0.099713 0.000302 0.002724 0.000053 0.010635 -0.000043
|
|
|
|
-0.000043 0.005051 0.001545 0.002724 -0.000982 0.006753 0.010635 -0.001271
|
|
0.002508 -0.000043 0.005051 0.001545 0.010635 -0.001271 0.002508 -0.000043
|
|
0.005051 0.001545 0.000302 -0.080128 0.000368 0.010635 -0.001271 0.002508
|
|
|
|
0.010635 0.001545 0.005051 0.000302 0.006753 -0.000982 -0.000043 0.002508
|
|
-0.001271 0.010635 0.001545 0.005051 -0.000043 0.002508 -0.001271 0.010635
|
|
0.001545 0.005051 0.002724 0.000368 -0.080128 -0.000043 0.002508 -0.001271
|
|
|
|
0.000005 0.002724 0.000302 0.004465 -0.000043 0.010635 0.004465 -0.000043
|
|
0.010635 0.000053 0.010635 -0.000043 0.004465 -0.000043 0.010635 0.000053
|
|
0.010635 -0.000043 0.000053 0.010635 -0.000043 -0.099713 0.000302 0.002724
|
|
|
|
0.002724 -0.000982 0.006753 -0.000043 0.005051 0.001545 -0.000043 0.005051
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|
0.001545 0.010635 -0.001271 0.002508 -0.000043 0.005051 0.001545 0.010635
|
|
-0.001271 0.002508 0.010635 -0.001271 0.002508 0.000302 -0.080128 0.000368
|
|
|
|
0.000302 0.006753 -0.000982 0.010635 0.001545 0.005051 0.010635 0.001545
|
|
0.005051 -0.000043 0.002508 -0.001271 0.010635 0.001545 0.005051 -0.000043
|
|
0.002508 -0.001271 -0.000043 0.002508 -0.001271 0.002724 0.000368 -0.080128
|
|
|
|
|
|
chi0^{-1} matrix :
|
|
-5.968098 -0.231305 -3.706825 -0.267023 -3.861083 -0.229705 -0.267023 -3.861083
|
|
-0.229705 -4.205452 -0.229705 -3.861083 -0.267023 -3.861083 -0.229705 -4.205452
|
|
-0.229705 -3.861083 -4.205452 -0.229705 -3.861083 -0.264431 -3.706825 -0.231305
|
|
|
|
-0.231305 -7.914642 -0.202974 -3.861083 -0.201185 -3.298638 -3.861083 -0.201185
|
|
-3.298638 -0.229705 -3.222072 -0.198259 -3.861083 -0.201185 -3.298638 -0.229705
|
|
-3.222072 -0.198259 -0.229705 -3.222072 -0.198259 -3.706825 -0.198765 -4.147467
|
|
|
|
-3.706825 -0.202974 -7.914642 -0.229705 -3.298638 -0.201185 -0.229705 -3.298638
|
|
-0.201185 -3.861083 -0.198259 -3.222072 -0.229705 -3.298638 -0.201185 -3.861083
|
|
-0.198259 -3.222072 -3.861083 -0.198259 -3.222072 -0.231305 -4.147467 -0.198765
|
|
|
|
-0.267023 -3.861083 -0.229705 -5.968098 -0.231305 -3.706825 -4.205452 -0.229705
|
|
-3.861083 -0.267023 -3.861083 -0.229705 -4.205452 -0.229705 -3.861083 -0.267023
|
|
-3.861083 -0.229705 -0.264431 -3.706825 -0.231305 -4.205452 -0.229705 -3.861083
|
|
|
|
-3.861083 -0.201185 -3.298638 -0.231305 -7.914642 -0.202974 -0.229705 -3.222072
|
|
-0.198259 -3.861083 -0.201185 -3.298638 -0.229705 -3.222072 -0.198259 -3.861083
|
|
-0.201185 -3.298638 -3.706825 -0.198765 -4.147467 -0.229705 -3.222072 -0.198259
|
|
|
|
-0.229705 -3.298638 -0.201185 -3.706825 -0.202974 -7.914642 -3.861083 -0.198259
|
|
-3.222072 -0.229705 -3.298638 -0.201185 -3.861083 -0.198259 -3.222072 -0.229705
|
|
-3.298638 -0.201185 -0.231305 -4.147467 -0.198765 -3.861083 -0.198259 -3.222072
|
|
|
|
-0.267023 -3.861083 -0.229705 -4.205452 -0.229705 -3.861083 -5.968098 -0.231305
|
|
-3.706825 -0.267023 -3.861083 -0.229705 -4.205452 -0.229705 -3.861083 -0.264431
|
|
-3.706825 -0.231305 -0.267023 -3.861083 -0.229705 -4.205452 -0.229705 -3.861083
|
|
|
|
-3.861083 -0.201185 -3.298638 -0.229705 -3.222072 -0.198259 -0.231305 -7.914642
|
|
-0.202974 -3.861083 -0.201185 -3.298638 -0.229705 -3.222072 -0.198259 -3.706825
|
|
-0.198765 -4.147467 -3.861083 -0.201185 -3.298638 -0.229705 -3.222072 -0.198259
|
|
|
|
-0.229705 -3.298638 -0.201185 -3.861083 -0.198259 -3.222072 -3.706825 -0.202974
|
|
-7.914642 -0.229705 -3.298638 -0.201185 -3.861083 -0.198259 -3.222072 -0.231305
|
|
-4.147467 -0.198765 -0.229705 -3.298638 -0.201185 -3.861083 -0.198259 -3.222072
|
|
|
|
-4.205452 -0.229705 -3.861083 -0.267023 -3.861083 -0.229705 -0.267023 -3.861083
|
|
-0.229705 -5.968098 -0.231305 -3.706825 -0.264431 -3.706825 -0.231305 -4.205452
|
|
-0.229705 -3.861083 -4.205452 -0.229705 -3.861083 -0.267023 -3.861083 -0.229705
|
|
|
|
-0.229705 -3.222072 -0.198259 -3.861083 -0.201185 -3.298638 -3.861083 -0.201185
|
|
-3.298638 -0.231305 -7.914642 -0.202974 -3.706825 -0.198765 -4.147467 -0.229705
|
|
-3.222072 -0.198259 -0.229705 -3.222072 -0.198259 -3.861083 -0.201185 -3.298638
|
|
|
|
-3.861083 -0.198259 -3.222072 -0.229705 -3.298638 -0.201185 -0.229705 -3.298638
|
|
-0.201185 -3.706825 -0.202974 -7.914642 -0.231305 -4.147467 -0.198765 -3.861083
|
|
-0.198259 -3.222072 -3.861083 -0.198259 -3.222072 -0.229705 -3.298638 -0.201185
|
|
|
|
-0.267023 -3.861083 -0.229705 -4.205452 -0.229705 -3.861083 -4.205452 -0.229705
|
|
-3.861083 -0.264431 -3.706825 -0.231305 -5.968098 -0.231305 -3.706825 -0.267023
|
|
-3.861083 -0.229705 -0.267023 -3.861083 -0.229705 -4.205452 -0.229705 -3.861083
|
|
|
|
-3.861083 -0.201185 -3.298638 -0.229705 -3.222072 -0.198259 -0.229705 -3.222072
|
|
-0.198259 -3.706825 -0.198765 -4.147467 -0.231305 -7.914642 -0.202974 -3.861083
|
|
-0.201185 -3.298638 -3.861083 -0.201185 -3.298638 -0.229705 -3.222072 -0.198259
|
|
|
|
-0.229705 -3.298638 -0.201185 -3.861083 -0.198259 -3.222072 -3.861083 -0.198259
|
|
-3.222072 -0.231305 -4.147467 -0.198765 -3.706825 -0.202974 -7.914642 -0.229705
|
|
-3.298638 -0.201185 -0.229705 -3.298638 -0.201185 -3.861083 -0.198259 -3.222072
|
|
|
|
-4.205452 -0.229705 -3.861083 -0.267023 -3.861083 -0.229705 -0.264431 -3.706825
|
|
-0.231305 -4.205452 -0.229705 -3.861083 -0.267023 -3.861083 -0.229705 -5.968098
|
|
-0.231305 -3.706825 -4.205452 -0.229705 -3.861083 -0.267023 -3.861083 -0.229705
|
|
|
|
-0.229705 -3.222072 -0.198259 -3.861083 -0.201185 -3.298638 -3.706825 -0.198765
|
|
-4.147467 -0.229705 -3.222072 -0.198259 -3.861083 -0.201185 -3.298638 -0.231305
|
|
-7.914642 -0.202974 -0.229705 -3.222072 -0.198259 -3.861083 -0.201185 -3.298638
|
|
|
|
-3.861083 -0.198259 -3.222072 -0.229705 -3.298638 -0.201185 -0.231305 -4.147467
|
|
-0.198765 -3.861083 -0.198259 -3.222072 -0.229705 -3.298638 -0.201185 -3.706825
|
|
-0.202974 -7.914642 -3.861083 -0.198259 -3.222072 -0.229705 -3.298638 -0.201185
|
|
|
|
-4.205452 -0.229705 -3.861083 -0.264431 -3.706825 -0.231305 -0.267023 -3.861083
|
|
-0.229705 -4.205452 -0.229705 -3.861083 -0.267023 -3.861083 -0.229705 -4.205452
|
|
-0.229705 -3.861083 -5.968098 -0.231305 -3.706825 -0.267023 -3.861083 -0.229705
|
|
|
|
-0.229705 -3.222072 -0.198259 -3.706825 -0.198765 -4.147467 -3.861083 -0.201185
|
|
-3.298638 -0.229705 -3.222072 -0.198259 -3.861083 -0.201185 -3.298638 -0.229705
|
|
-3.222072 -0.198259 -0.231305 -7.914642 -0.202974 -3.861083 -0.201185 -3.298638
|
|
|
|
-3.861083 -0.198259 -3.222072 -0.231305 -4.147467 -0.198765 -0.229705 -3.298638
|
|
-0.201185 -3.861083 -0.198259 -3.222072 -0.229705 -3.298638 -0.201185 -3.861083
|
|
-0.198259 -3.222072 -3.706825 -0.202974 -7.914642 -0.229705 -3.298638 -0.201185
|
|
|
|
-0.264431 -3.706825 -0.231305 -4.205452 -0.229705 -3.861083 -4.205452 -0.229705
|
|
-3.861083 -0.267023 -3.861083 -0.229705 -4.205452 -0.229705 -3.861083 -0.267023
|
|
-3.861083 -0.229705 -0.267023 -3.861083 -0.229705 -5.968098 -0.231305 -3.706825
|
|
|
|
-3.706825 -0.198765 -4.147467 -0.229705 -3.222072 -0.198259 -0.229705 -3.222072
|
|
-0.198259 -3.861083 -0.201185 -3.298638 -0.229705 -3.222072 -0.198259 -3.861083
|
|
-0.201185 -3.298638 -3.861083 -0.201185 -3.298638 -0.231305 -7.914642 -0.202974
|
|
|
|
-0.231305 -4.147467 -0.198765 -3.861083 -0.198259 -3.222072 -3.861083 -0.198259
|
|
-3.222072 -0.229705 -3.298638 -0.201185 -3.861083 -0.198259 -3.222072 -0.229705
|
|
-3.298638 -0.201185 -0.229705 -3.298638 -0.201185 -3.706825 -0.202974 -7.914642
|
|
|
|
|
|
chi^{-1} matrix :
|
|
-13.719491 -0.172701 -3.665313 -0.140520 -4.618386 -0.118832 -0.140520 -4.618386
|
|
-0.118832 -3.975474 -0.118832 -4.618386 -0.140520 -4.618386 -0.118832 -3.975474
|
|
-0.118832 -4.618386 -3.975474 -0.118832 -4.618386 -0.121518 -3.665313 -0.172701
|
|
|
|
-0.172701 -15.958561 -0.198020 -4.618386 0.073933 -3.686707 -4.618386 0.073933
|
|
-3.686707 -0.118832 -4.093602 -0.367846 -4.618386 0.073933 -3.686707 -0.118832
|
|
-4.093602 -0.367846 -0.118832 -4.093602 -0.367846 -3.665313 0.060453 -4.365961
|
|
|
|
-3.665313 -0.198020 -15.958561 -0.118832 -3.686707 0.073933 -0.118832 -3.686707
|
|
0.073933 -4.618386 -0.367846 -4.093602 -0.118832 -3.686707 0.073933 -4.618386
|
|
-0.367846 -4.093602 -4.618386 -0.367846 -4.093602 -0.172701 -4.365961 0.060453
|
|
|
|
-0.140520 -4.618386 -0.118832 -13.719491 -0.172701 -3.665313 -3.975474 -0.118832
|
|
-4.618386 -0.140520 -4.618386 -0.118832 -3.975474 -0.118832 -4.618386 -0.140520
|
|
-4.618386 -0.118832 -0.121518 -3.665313 -0.172701 -3.975474 -0.118832 -4.618386
|
|
|
|
-4.618386 0.073933 -3.686707 -0.172701 -15.958561 -0.198020 -0.118832 -4.093602
|
|
-0.367846 -4.618386 0.073933 -3.686707 -0.118832 -4.093602 -0.367846 -4.618386
|
|
0.073933 -3.686707 -3.665313 0.060453 -4.365961 -0.118832 -4.093602 -0.367846
|
|
|
|
-0.118832 -3.686707 0.073933 -3.665313 -0.198020 -15.958561 -4.618386 -0.367846
|
|
-4.093602 -0.118832 -3.686707 0.073933 -4.618386 -0.367846 -4.093602 -0.118832
|
|
-3.686707 0.073933 -0.172701 -4.365961 0.060453 -4.618386 -0.367846 -4.093602
|
|
|
|
-0.140520 -4.618386 -0.118832 -3.975474 -0.118832 -4.618386 -13.719491 -0.172701
|
|
-3.665313 -0.140520 -4.618386 -0.118832 -3.975474 -0.118832 -4.618386 -0.121518
|
|
-3.665313 -0.172701 -0.140520 -4.618386 -0.118832 -3.975474 -0.118832 -4.618386
|
|
|
|
-4.618386 0.073933 -3.686707 -0.118832 -4.093602 -0.367846 -0.172701 -15.958561
|
|
-0.198020 -4.618386 0.073933 -3.686707 -0.118832 -4.093602 -0.367846 -3.665313
|
|
0.060453 -4.365961 -4.618386 0.073933 -3.686707 -0.118832 -4.093602 -0.367846
|
|
|
|
-0.118832 -3.686707 0.073933 -4.618386 -0.367846 -4.093602 -3.665313 -0.198020
|
|
-15.958561 -0.118832 -3.686707 0.073933 -4.618386 -0.367846 -4.093602 -0.172701
|
|
-4.365961 0.060453 -0.118832 -3.686707 0.073933 -4.618386 -0.367846 -4.093602
|
|
|
|
-3.975474 -0.118832 -4.618386 -0.140520 -4.618386 -0.118832 -0.140520 -4.618386
|
|
-0.118832 -13.719491 -0.172701 -3.665313 -0.121518 -3.665313 -0.172701 -3.975474
|
|
-0.118832 -4.618386 -3.975474 -0.118832 -4.618386 -0.140520 -4.618386 -0.118832
|
|
|
|
-0.118832 -4.093602 -0.367846 -4.618386 0.073933 -3.686707 -4.618386 0.073933
|
|
-3.686707 -0.172701 -15.958561 -0.198020 -3.665313 0.060453 -4.365961 -0.118832
|
|
-4.093602 -0.367846 -0.118832 -4.093602 -0.367846 -4.618386 0.073933 -3.686707
|
|
|
|
-4.618386 -0.367846 -4.093602 -0.118832 -3.686707 0.073933 -0.118832 -3.686707
|
|
0.073933 -3.665313 -0.198020 -15.958561 -0.172701 -4.365961 0.060453 -4.618386
|
|
-0.367846 -4.093602 -4.618386 -0.367846 -4.093602 -0.118832 -3.686707 0.073933
|
|
|
|
-0.140520 -4.618386 -0.118832 -3.975474 -0.118832 -4.618386 -3.975474 -0.118832
|
|
-4.618386 -0.121518 -3.665313 -0.172701 -13.719491 -0.172701 -3.665313 -0.140520
|
|
-4.618386 -0.118832 -0.140520 -4.618386 -0.118832 -3.975474 -0.118832 -4.618386
|
|
|
|
-4.618386 0.073933 -3.686707 -0.118832 -4.093602 -0.367846 -0.118832 -4.093602
|
|
-0.367846 -3.665313 0.060453 -4.365961 -0.172701 -15.958561 -0.198020 -4.618386
|
|
0.073933 -3.686707 -4.618386 0.073933 -3.686707 -0.118832 -4.093602 -0.367846
|
|
|
|
-0.118832 -3.686707 0.073933 -4.618386 -0.367846 -4.093602 -4.618386 -0.367846
|
|
-4.093602 -0.172701 -4.365961 0.060453 -3.665313 -0.198020 -15.958561 -0.118832
|
|
-3.686707 0.073933 -0.118832 -3.686707 0.073933 -4.618386 -0.367846 -4.093602
|
|
|
|
-3.975474 -0.118832 -4.618386 -0.140520 -4.618386 -0.118832 -0.121518 -3.665313
|
|
-0.172701 -3.975474 -0.118832 -4.618386 -0.140520 -4.618386 -0.118832 -13.719491
|
|
-0.172701 -3.665313 -3.975474 -0.118832 -4.618386 -0.140520 -4.618386 -0.118832
|
|
|
|
-0.118832 -4.093602 -0.367846 -4.618386 0.073933 -3.686707 -3.665313 0.060453
|
|
-4.365961 -0.118832 -4.093602 -0.367846 -4.618386 0.073933 -3.686707 -0.172701
|
|
-15.958561 -0.198020 -0.118832 -4.093602 -0.367846 -4.618386 0.073933 -3.686707
|
|
|
|
-4.618386 -0.367846 -4.093602 -0.118832 -3.686707 0.073933 -0.172701 -4.365961
|
|
0.060453 -4.618386 -0.367846 -4.093602 -0.118832 -3.686707 0.073933 -3.665313
|
|
-0.198020 -15.958561 -4.618386 -0.367846 -4.093602 -0.118832 -3.686707 0.073933
|
|
|
|
-3.975474 -0.118832 -4.618386 -0.121518 -3.665313 -0.172701 -0.140520 -4.618386
|
|
-0.118832 -3.975474 -0.118832 -4.618386 -0.140520 -4.618386 -0.118832 -3.975474
|
|
-0.118832 -4.618386 -13.719491 -0.172701 -3.665313 -0.140520 -4.618386 -0.118832
|
|
|
|
-0.118832 -4.093602 -0.367846 -3.665313 0.060453 -4.365961 -4.618386 0.073933
|
|
-3.686707 -0.118832 -4.093602 -0.367846 -4.618386 0.073933 -3.686707 -0.118832
|
|
-4.093602 -0.367846 -0.172701 -15.958561 -0.198020 -4.618386 0.073933 -3.686707
|
|
|
|
-4.618386 -0.367846 -4.093602 -0.172701 -4.365961 0.060453 -0.118832 -3.686707
|
|
0.073933 -4.618386 -0.367846 -4.093602 -0.118832 -3.686707 0.073933 -4.618386
|
|
-0.367846 -4.093602 -3.665313 -0.198020 -15.958561 -0.118832 -3.686707 0.073933
|
|
|
|
-0.121518 -3.665313 -0.172701 -3.975474 -0.118832 -4.618386 -3.975474 -0.118832
|
|
-4.618386 -0.140520 -4.618386 -0.118832 -3.975474 -0.118832 -4.618386 -0.140520
|
|
-4.618386 -0.118832 -0.140520 -4.618386 -0.118832 -13.719491 -0.172701 -3.665313
|
|
|
|
-3.665313 0.060453 -4.365961 -0.118832 -4.093602 -0.367846 -0.118832 -4.093602
|
|
-0.367846 -4.618386 0.073933 -3.686707 -0.118832 -4.093602 -0.367846 -4.618386
|
|
0.073933 -3.686707 -4.618386 0.073933 -3.686707 -0.172701 -15.958561 -0.198020
|
|
|
|
-0.172701 -4.365961 0.060453 -4.618386 -0.367846 -4.093602 -4.618386 -0.367846
|
|
-4.093602 -0.118832 -3.686707 0.073933 -4.618386 -0.367846 -4.093602 -0.118832
|
|
-3.686707 0.073933 -0.118832 -3.686707 0.073933 -3.665313 -0.198020 -15.958561
|
|
|
|
|
|
Hubbard matrix :
|
|
7.751392 -0.058604 -0.041511 -0.126503 0.757303 -0.110874 -0.126503 0.757303
|
|
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