Dear Prof. Giannozzi I am so sorry for bad explanation of my problem. I mistook blyp for b3lyp ( "hybrid functionals")
thanks for your consideration and your time. Bests. On Thu, Jul 12, 2012 at 1:57 PM, Paolo Giannozzi <giannozz at democritos.it>wrote: > > On Jul 12, 2012, at 10:52 , yavar pour azar wrote: > > > I want to use US.PP, generated by blyp functional for Ru. > > But according to "Notes on pseudopotential generation" by > > prf. Giannozzi, this functionals are not allowed in atomic code. > > not sure what version of my notes you are referring to. In any case, > this is not (or no longer) true. > > > anyone can help me to find or generate such pseudopotential for Ru > > arom? > > standard answer apply: go to the QE web site, under "Pseudopotentials". > You can find a lot of pointers there > > 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/20120712/896f1071/attachment.htm
