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 Ni 1 1 Ni 8.6465
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=-------------------------------------------------------------------=
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chi0 matrix :
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-0.405653 0.026538 0.026538 0.026538
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0.026538 -0.405653 0.026538 0.026538
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0.026538 0.026538 -0.405653 0.026538
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0.026538 0.026538 0.026538 -0.405653
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chi matrix :
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-0.089744 0.001168 0.001168 0.001168
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0.001168 -0.089744 0.001168 0.001168
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0.001168 0.001168 -0.089744 0.001168
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0.001168 0.001168 0.001168 -0.089744
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chi0^{-1} matrix :
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-2.502123 -0.188334 -0.188334 -0.188334
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-0.188334 -2.502123 -0.188334 -0.188334
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-0.188334 -0.188334 -2.502123 -0.188334
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-0.188334 -0.188334 -0.188334 -2.502123
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chi^{-1} matrix :
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-11.148616 -0.149006 -0.149006 -0.149006
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-0.149006 -11.148616 -0.149006 -0.149006
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-0.149006 -0.149006 -11.148616 -0.149006
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-0.149006 -0.149006 -0.149006 -11.148616
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Hubbard matrix :
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8.646494 -0.039329 -0.039329 -0.039329
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-0.039329 8.646494 -0.039329 -0.039329
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-0.039329 -0.039329 8.646494 -0.039329
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-0.039329 -0.039329 -0.039329 8.646494
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