Dear Paolo, Thank you very much.
Vi ________________________________ From: Paolo Giannozzi <giann...@democritos.it> To: PWSCF Forum <pw_forum at pwscf.org> Sent: Thu, July 28, 2011 8:33:51 AM Subject: Re: [Pw_forum] (no subject) On Jul 26, 2011, at 21:29 , Vi Vo wrote: > In LDA+U calculation I also see these warning, so what will be the > risk or unreliability. there is no risk, as long as bound atomic states are present in the PP files. I guess that the "zero-norm" states that are still present in some PP files are unbound states used uring thr generation of the PP. They do not affect the final results in any way. 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 -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20110728/d65b3742/attachment.htm
