[QE-users] [QE users] pseudopotential hardness and transferability

[Paolo Giannozzi]

On Thu, Apr 2, 2020 at 1:15 PM Aldo Ugolotti <a.ugolotti at campus.unimib.it>
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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