Dear Prof. Giannozzi, Thank you very much for the clarification.
Best regards, Han On Tue, Apr 26, 2016 at 3:38 AM, Paolo Giannozzi <p.gianno...@gmail.com> wrote: > I agree. It wasn't clearly explained in the documentation (or maybe it > wasn't explained at all) but "nat" for Wyckoff position input is the number > of independent sites, not the total number of atoms > > Paolo > > On Mon, Apr 25, 2016 at 8:23 PM, Youssef Aharbil <ahar...@gmail.com> > wrote: > >> Dear han. >> Because "nat" means simply the number of lines to be input not the number >> of atoms generated via all of wyckoff sites. >> >> Youssef Aharbil. >> >> _______________________________________________ >> Pw_forum mailing list >> Pw_forum@pwscf.org >> http://pwscf.org/mailman/listinfo/pw_forum >> > > > > -- > 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 > > -- =============================== Han Hsu (徐翰) Assistant Professor Department of Physics National Central University Taoyuan 32001, Taiwan Email: han...@ncu.edu.tw Tel: +886-3-422-7151 ext 65303 Fax: +886-3-425-1175 ===============================
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