Thank you very much for your answer. For me, the file_pseudopw='Br.$fct-rrkjus.UPF' is still a little bit confusing, what do you think?
On Thu, Nov 17, 2011 at 4:49 PM, Paolo Giannozzi <giannozz at democritos.it>wrote: > > On Nov 17, 2011, at 22:21 , Jia Chen wrote: > > tm=.true. > > [...] As far as I know, tm=.true. means the pseudopotential > > is in Troullier-Martins form. > > no, it means that the Troullier-Martins pseudization is used > (instead of the Rabe-Rappe-Kaxiras-Joannopoulos pseudization) > but not that the pseudopotential is generatedin the semi-local > form (pseudotype=1) > > 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 > -- Jia Chen Dept of Chemistry Princeton University Princeton, NJ 08544 -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20111117/d6f7bf4f/attachment.htm
