mirror of https://gitlab.com/QEF/q-e.git
61 lines
1.5 KiB
Plaintext
61 lines
1.5 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 N 1 1 N 12.3664
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=-------------------------------------------------------------------=
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chi0 matrix :
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-0.050893 -0.000168 -0.000168 -0.000168
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-0.000168 -0.050893 -0.000168 -0.000168
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-0.000168 -0.000168 -0.050893 -0.000168
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-0.000168 -0.000168 -0.000168 -0.050893
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chi matrix :
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-0.031235 -0.000047 -0.000047 -0.000047
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-0.000047 -0.031235 -0.000047 -0.000047
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-0.000047 -0.000047 -0.031235 -0.000047
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-0.000047 -0.000047 -0.000047 -0.031235
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chi0^{-1} matrix :
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-19.649673 0.064370 0.064370 0.064370
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0.064370 -19.649673 0.064370 0.064370
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0.064370 0.064370 -19.649673 0.064370
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0.064370 0.064370 0.064370 -19.649673
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chi^{-1} matrix :
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-32.016075 0.048143 0.048143 0.048143
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0.048143 -32.016075 0.048143 0.048143
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0.048143 0.048143 -32.016075 0.048143
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0.048143 0.048143 0.048143 -32.016075
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Hubbard matrix :
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12.366402 0.016227 0.016227 0.016227
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0.016227 12.366402 0.016227 0.016227
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0.016227 0.016227 12.366402 0.016227
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0.016227 0.016227 0.016227 12.366402
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