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 Co -1 1 Co 6.9326
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=-------------------------------------------------------------------=
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chi0 matrix :
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-1.413949 0.336674 0.336674 0.336674
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0.336674 -1.413949 0.336674 0.336674
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0.336674 0.336674 -1.413949 0.336674
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0.336674 0.336674 0.336674 -1.413949
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chi matrix :
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-0.126462 0.006584 0.006584 0.006584
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0.006584 -0.126462 0.006584 0.006584
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0.006584 0.006584 -0.126462 0.006584
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0.006584 0.006584 0.006584 -0.126462
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chi0^{-1} matrix :
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-1.047344 -0.476119 -0.476119 -0.476119
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-0.476119 -1.047344 -0.476119 -0.476119
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-0.476119 -0.476119 -1.047344 -0.476119
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-0.476119 -0.476119 -0.476119 -1.047344
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chi^{-1} matrix :
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-7.979926 -0.463759 -0.463759 -0.463759
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-0.463759 -7.979926 -0.463759 -0.463759
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-0.463759 -0.463759 -7.979926 -0.463759
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-0.463759 -0.463759 -0.463759 -7.979926
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Hubbard matrix :
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6.932582 -0.012359 -0.012359 -0.012359
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-0.012359 6.932582 -0.012359 -0.012359
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-0.012359 -0.012359 6.932582 -0.012359
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-0.012359 -0.012359 -0.012359 6.932582
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