Dear Paolo, My calculations with the CPMD converted pseudopotentials are running correctly now.
Thanks again for your time, Ali at LPTMC-UMPC > From: giannozz at democritos.it > Date: Sun, 20 Jan 2013 18:40:53 +0100 > To: pw_forum at pwscf.org > Subject: Re: [Pw_forum] cpmd2upf.x for Norm Conserving pseudopotentials > > > On Jan 20, 2013, at 12:58 , Ali KACHMAR wrote: > > > Is there any risk to take the max local= 1 in this case: > > of course there isn't any: in the worst-case scenario, you > just get bad results. Just try and see what happens. > > 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://pwscf.org/mailman/listinfo/pw_forum -------------- next part -------------- An HTML attachment was scrubbed... URL: http://pwscf.org/pipermail/pw_forum/attachments/20130122/15c7a752/attachment.html
