On Fri, Jul 3, 2020 at 1:36 AM Shen, Ziheng <[email protected]> wrote:
I’m wondering is spin-polarized calculation only available for standard > functionals such as PBE? > spin-polarized calculations are available for many functionals, but not all. The less "standard" a functional is, the harder and less likely a spin-polarized implementation is. Paolo -- Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche, Univ. Udine, via delle Scienze 208, 33100 Udine, Italy Phone +39-0432-558216, fax +39-0432-558222
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