On Mon, Nov 30, 2020 at 7:19 AM rekha sharma <[email protected]> wrote:
> > https://gitlab.com/QEF/q-e/-/merge_requests/1069 > > Could someone please help me what should I do to resolve this? > you should use symmetric atomic positions and cell vectors, not "quasi-symmetric" ones. 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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