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.not.intrab #1

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yuan-gist opened this issue Jan 20, 2021 · 1 comment
Open

.not.intrab #1

yuan-gist opened this issue Jan 20, 2021 · 1 comment

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@yuan-gist
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Thanks for your nice code, and I'd like to ask a question. Why in the KG calculations, the intraband and degenerate contributions are optional? (with "if (.not.intrab) cycle" in your code and in KGEC code). Shouldn't these contributions be included in the electrical conductivitities?
@yuan-gist yuan-gist changed the title intraband and degenerate contributions .not.intrab Jan 20, 2021
@1126191527
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Thanks for your nice code, and I'd like to ask a question. Why in the KG calculations, the intraband and degenerate contributions are optional? (with "if (.not.intrab) cycle" in your code and in KGEC code). Shouldn't these contributions be included in the electrical conductivitities?

Have you figured out this problem? I am also confused about this, and I noticed that the author used LOPTICS=True in the example. Is this inappropriate for the metal system?

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@yuan-gist @1126191527