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 9.0591
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=-------------------------------------------------------------------=
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chi0 matrix :
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-0.524088 0.002440 0.002440 0.084344 0.002440 0.084344 0.084344 -0.000685
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0.002440 -0.524088 0.084344 0.002440 0.084344 0.002440 -0.000685 0.084344
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0.002440 0.084344 -0.524088 0.002440 0.084344 -0.000685 0.002440 0.084344
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0.084344 0.002440 0.002440 -0.524088 -0.000685 0.084344 0.084344 0.002440
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0.002440 0.084344 0.084344 -0.000685 -0.524088 0.002440 0.002440 0.084344
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0.084344 0.002440 -0.000685 0.084344 0.002440 -0.524088 0.084344 0.002440
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0.084344 -0.000685 0.002440 0.084344 0.002440 0.084344 -0.524088 0.002440
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-0.000685 0.084344 0.084344 0.002440 0.084344 0.002440 0.002440 -0.524088
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chi matrix :
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-0.089669 0.000114 0.000114 0.003701 0.000114 0.003701 0.003701 0.000025
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0.000114 -0.089669 0.003701 0.000114 0.003701 0.000114 0.000025 0.003701
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0.000114 0.003701 -0.089669 0.000114 0.003701 0.000025 0.000114 0.003701
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0.003701 0.000114 0.000114 -0.089669 0.000025 0.003701 0.003701 0.000114
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0.000114 0.003701 0.003701 0.000025 -0.089669 0.000114 0.000114 0.003701
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0.003701 0.000114 0.000025 0.003701 0.000114 -0.089669 0.003701 0.000114
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0.003701 0.000025 0.000114 0.003701 0.000114 0.003701 -0.089669 0.000114
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0.000025 0.003701 0.003701 0.000114 0.003701 0.000114 0.000114 -0.089669
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chi0^{-1} matrix :
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-2.155579 -0.024699 -0.024699 -0.511967 -0.024699 -0.511967 -0.511967 -0.016258
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-0.024699 -2.155579 -0.511967 -0.024699 -0.511967 -0.024699 -0.016258 -0.511967
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-0.024699 -0.511967 -2.155579 -0.024699 -0.511967 -0.016258 -0.024699 -0.511967
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-0.511967 -0.024699 -0.024699 -2.155579 -0.016258 -0.511967 -0.511967 -0.024699
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-0.024699 -0.511967 -0.511967 -0.016258 -2.155579 -0.024699 -0.024699 -0.511967
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-0.511967 -0.024699 -0.016258 -0.511967 -0.024699 -2.155579 -0.511967 -0.024699
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-0.511967 -0.016258 -0.024699 -0.511967 -0.024699 -0.511967 -2.155579 -0.024699
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-0.016258 -0.511967 -0.511967 -0.024699 -0.511967 -0.024699 -0.024699 -2.155579
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chi^{-1} matrix :
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-11.214720 -0.017456 -0.017456 -0.504554 -0.017456 -0.504554 -0.504554 -0.007250
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-0.017456 -11.214720 -0.504554 -0.017456 -0.504554 -0.017456 -0.007250 -0.504554
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-0.017456 -0.504554 -11.214720 -0.017456 -0.504554 -0.007250 -0.017456 -0.504554
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-0.504554 -0.017456 -0.017456 -11.214720 -0.007250 -0.504554 -0.504554 -0.017456
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-0.017456 -0.504554 -0.504554 -0.007250 -11.214720 -0.017456 -0.017456 -0.504554
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-0.504554 -0.017456 -0.007250 -0.504554 -0.017456 -11.214720 -0.504554 -0.017456
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-0.504554 -0.007250 -0.017456 -0.504554 -0.017456 -0.504554 -11.214720 -0.017456
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-0.007250 -0.504554 -0.504554 -0.017456 -0.504554 -0.017456 -0.017456 -11.214720
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Hubbard matrix :
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9.059141 -0.007242 -0.007242 -0.007413 -0.007242 -0.007413 -0.007413 -0.009008
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-0.007242 9.059141 -0.007413 -0.007242 -0.007413 -0.007242 -0.009008 -0.007413
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-0.007242 -0.007413 9.059141 -0.007242 -0.007413 -0.009008 -0.007242 -0.007413
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-0.007413 -0.007242 -0.007242 9.059141 -0.009008 -0.007413 -0.007413 -0.007242
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-0.007242 -0.007413 -0.007413 -0.009008 9.059141 -0.007242 -0.007242 -0.007413
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-0.007413 -0.007242 -0.009008 -0.007413 -0.007242 9.059141 -0.007413 -0.007242
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-0.007413 -0.009008 -0.007242 -0.007413 -0.007242 -0.007413 9.059141 -0.007242
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-0.009008 -0.007413 -0.007413 -0.007242 -0.007413 -0.007242 -0.007242 9.059141
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