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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-0.031234 -0.000047 -0.000047 -0.000047
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-0.000047 -0.031234 -0.000047 -0.000047
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-0.000047 -0.000047 -0.031234 -0.000047
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-0.000047 -0.000047 -0.000047 -0.031234
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chi0^{-1} matrix :
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-19.649749 0.064461 0.064461 0.064461
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0.064461 -19.649749 0.064461 0.064461
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0.064461 0.064461 -19.649749 0.064461
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0.064461 0.064461 0.064461 -19.649749
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chi^{-1} matrix :
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-32.016177 0.048254 0.048254 0.048254
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0.048254 -32.016177 0.048254 0.048254
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0.048254 0.048254 -32.016177 0.048254
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0.048254 0.048254 0.048254 -32.016177
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Hubbard matrix :
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12.366428 0.016208 0.016208 0.016208
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0.016208 12.366428 0.016208 0.016208
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0.016208 0.016208 12.366428 0.016208
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0.016208 0.016208 0.016208 12.366428
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