On Thu, Apr 2, 2020 at 1:15 PM Aldo Ugolotti <[email protected]> wrote:
> there were problems with tests with more electrons (e.g. 2s2 2p3 for C) negative ions are unbound in "plain" DFT: it's a known problem, independent upon pseudopotentials 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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