Thanks a lot, Vi
________________________________ From: Paolo Giannozzi <[email protected]> To: PWSCF Forum <pw_forum at pwscf.org> Sent: Sat, August 14, 2010 3:45:54 AM Subject: Re: [Pw_forum] Generating Pseudo potential On Aug 1, 2010, at 6:34 , Vi Vo wrote: > I am learning how to generate a pseudo potential (PP) from the > tutor notes. I don't know based on what criteria to chose the > "rlderiv" at which ""nld" logarithmic derivatives are calculated. I would choose something in the order of half a typical bond-bond distance P. --- Paolo Giannozzi, Dept of Physics, University of 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/20100814/70226e18/attachment.htm
