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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-1.413936 0.336669 0.336669 0.336669
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0.336669 -1.413936 0.336669 0.336669
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0.336669 0.336669 -1.413936 0.336669
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0.336669 0.336669 0.336669 -1.413936
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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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-1.047347 -0.476116 -0.476116 -0.476116
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-0.476116 -1.047347 -0.476116 -0.476116
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-0.476116 -0.476116 -1.047347 -0.476116
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-0.476116 -0.476116 -0.476116 -1.047347
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chi^{-1} matrix :
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-7.979944 -0.463752 -0.463752 -0.463752
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-0.463752 -7.979944 -0.463752 -0.463752
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-0.463752 -0.463752 -7.979944 -0.463752
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-0.463752 -0.463752 -0.463752 -7.979944
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Hubbard matrix :
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6.932597 -0.012363 -0.012363 -0.012363
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-0.012363 6.932597 -0.012363 -0.012363
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-0.012363 -0.012363 6.932597 -0.012363
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-0.012363 -0.012363 -0.012363 6.932597
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