Dr. Giannozzi, I checked the pslibrary and NNIN vault links. All LDA PP there for F are paw or ultrasoft. It seems there are more LDA PP in abinit website. But they are in different format. Maybe I should try my luck to convert them to PP format in QE.
Best, J. Mao ---- Department of Chemistry, University of Pittsburgh -----Original Message----- From: pw_forum-bounces at pwscf.org [mailto:[email protected]] On Behalf Of Paolo Giannozzi Sent: Monday, September 10, 2012 12:23 PM To: PWSCF Forum Subject: Re: [Pw_forum] question about pp for Raman calculation On Mon, 2012-09-10 at 12:17 -0400, James Mao wrote: > cannot find any available LDA pp for F which is not ultrasoft and paw. there's a reason: norm-conserving F is very hard. Anyway, if you follow the links in the pseudopotential page of the quantum espresso web site, you will find for sure some norm-conserving LDA PP for F. P. -- Paolo Giannozzi, IOM-Democritos and University of Udine, Italy _______________________________________________ Pw_forum mailing list Pw_forum at pwscf.org http://www.democritos.it/mailman/listinfo/pw_forum
