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add support for LDA/GGA+U

Open bernstei opened this issue 3 years ago • 1 comments

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?)

bernstei avatar Jul 07 '21 13:07 bernstei

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.

phanish-suryanarayana avatar Jul 08 '21 17:07 phanish-suryanarayana