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add support for LDA/GGA+U #45

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bernstei opened this issue Jul 7, 2021 · 1 comment
Open

add support for LDA/GGA+U #45

bernstei opened this issue Jul 7, 2021 · 1 comment

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@bernstei
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bernstei commented Jul 7, 2021

Many systems of interest involve transition metals that are better described by LDA+U or GGA+U, so it would be nice to support those sorts of functionals (also hybrid functionals, but I gather those are already being planned, right?)

@phanish-suryanarayana
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Yes, LDA/GGA+U is another on our list of features to be incorporated. Hybrid functionals have already been implemented and tested. It should be released in the coming weeks.

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