mirror of https://gitlab.com/QEF/q-e.git
101 lines
4.3 KiB
Plaintext
101 lines
4.3 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 3d 5.5123
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=-------------------------------------------------------------------=
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chi0 matrix :
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-0.412179 0.000468 0.000468 0.007300 0.000468 0.007300 0.007300 0.000846
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0.000468 -0.412179 0.007300 0.000468 0.007300 0.000468 0.000846 0.007300
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0.000468 0.007300 -0.412179 0.000468 0.007300 0.000846 0.000468 0.007300
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0.007300 0.000468 0.000468 -0.412179 0.000846 0.007300 0.007300 0.000468
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0.000468 0.007300 0.007300 0.000846 -0.412179 0.000468 0.000468 0.007300
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0.007300 0.000468 0.000846 0.007300 0.000468 -0.412179 0.007300 0.000468
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0.007300 0.000846 0.000468 0.007300 0.000468 0.007300 -0.412179 0.000468
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0.000846 0.007300 0.007300 0.000468 0.007300 0.000468 0.000468 -0.412179
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chi matrix :
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-0.125960 0.000013 0.000013 0.001073 0.000013 0.001073 0.001073 0.000158
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0.000013 -0.125960 0.001073 0.000013 0.001073 0.000013 0.000158 0.001073
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0.000013 0.001073 -0.125960 0.000013 0.001073 0.000158 0.000013 0.001073
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0.001073 0.000013 0.000013 -0.125960 0.000158 0.001073 0.001073 0.000013
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0.000013 0.001073 0.001073 0.000158 -0.125960 0.000013 0.000013 0.001073
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0.001073 0.000013 0.000158 0.001073 0.000013 -0.125960 0.001073 0.000013
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0.001073 0.000158 0.000013 0.001073 0.000013 0.001073 -0.125960 0.000013
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0.000158 0.001073 0.001073 0.000013 0.001073 0.000013 0.000013 -0.125960
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chi0^{-1} matrix :
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-2.428523 -0.003157 -0.003157 -0.044614 -0.003157 -0.044614 -0.044614 -0.005302
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-0.003157 -2.428523 -0.044614 -0.003157 -0.044614 -0.003157 -0.005302 -0.044614
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-0.003157 -0.044614 -2.428523 -0.003157 -0.044614 -0.005302 -0.003157 -0.044614
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-0.044614 -0.003157 -0.003157 -2.428523 -0.005302 -0.044614 -0.044614 -0.003157
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-0.003157 -0.044614 -0.044614 -0.005302 -2.428523 -0.003157 -0.003157 -0.044614
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-0.044614 -0.003157 -0.005302 -0.044614 -0.003157 -2.428523 -0.044614 -0.003157
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-0.044614 -0.005302 -0.003157 -0.044614 -0.003157 -0.044614 -2.428523 -0.003157
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-0.005302 -0.044614 -0.044614 -0.003157 -0.044614 -0.003157 -0.003157 -2.428523
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chi^{-1} matrix :
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-7.940827 -0.001006 -0.001006 -0.068801 -0.001006 -0.068801 -0.068801 -0.009995
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-0.001006 -7.940827 -0.068801 -0.001006 -0.068801 -0.001006 -0.009995 -0.068801
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-0.001006 -0.068801 -7.940827 -0.001006 -0.068801 -0.009995 -0.001006 -0.068801
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-0.068801 -0.001006 -0.001006 -7.940827 -0.009995 -0.068801 -0.068801 -0.001006
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-0.001006 -0.068801 -0.068801 -0.009995 -7.940827 -0.001006 -0.001006 -0.068801
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-0.068801 -0.001006 -0.009995 -0.068801 -0.001006 -7.940827 -0.068801 -0.001006
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-0.068801 -0.009995 -0.001006 -0.068801 -0.001006 -0.068801 -7.940827 -0.001006
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-0.009995 -0.068801 -0.068801 -0.001006 -0.068801 -0.001006 -0.001006 -7.940827
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Hubbard matrix :
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5.512303 -0.002151 -0.002151 0.024187 -0.002151 0.024187 0.024187 0.004693
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-0.002151 5.512303 0.024187 -0.002151 0.024187 -0.002151 0.004693 0.024187
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-0.002151 0.024187 5.512303 -0.002151 0.024187 0.004693 -0.002151 0.024187
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0.024187 -0.002151 -0.002151 5.512303 0.004693 0.024187 0.024187 -0.002151
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-0.002151 0.024187 0.024187 0.004693 5.512303 -0.002151 -0.002151 0.024187
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0.024187 -0.002151 0.004693 0.024187 -0.002151 5.512303 0.024187 -0.002151
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0.024187 0.004693 -0.002151 0.024187 -0.002151 0.024187 5.512303 -0.002151
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0.004693 0.024187 0.024187 -0.002151 0.024187 -0.002151 -0.002151 5.512303
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