thanks for Paolo's replies in details, I will try . BestRegards 2011/11/29 Paolo Giannozzi <giannozz at democritos.it>
> The development version of QE can translate GTH > (Goedecker-Teter-Hutter) pseudopotentials from CPMD > to UPF format. GTH PPs are quite hard so they should > work well at high pressures. See here: > http://www.fisica.uniud.it/~giannozz/public/Se-q6.txt.UPF > May or may not work. Note that you may need to > manually add the pseudo-orbitals to the PP_PSWFC section > > P. > --- > Paolo Giannozzi, Dept of Chemistry&Physics&Environment, > Univ. Udine, via delle Scienze 208, 33100 Udine, Italy > Phone +39-0432-558216, fax +39-0432-558222 > > > > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum > -- ZhouDawei JiLin Universiyt ,ChangChun ,China zdw2000 at gmail.com -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20111129/49b581b7/attachment.htm
