Hi Marc, I will send you personally H_MT_BLYP.psp taken from CPMD/pseudo_ext_lib in order to keep the forum clean. But you have to convert it to UPF using cpmd2upf.x from /upftools.
Bests, Eyvaz. ------------------------------------------------------------------- Prof. Eyvaz Isaev, Theoretical Physics Department, Moscow State Institute of Steel & Alloys, Russia, Department of Physics, Chemistry, and Biology (IFM), Linkoping University, Sweden Condensed Matter Theory Group, Uppsala University, Sweden Eyvaz.Isaev at fysik.uu.se, isaev at ifm.liu.se, eyvaz_isaev at yahoo.com --- On Fri, 2/13/09, marc at fq.edu.uy <marc at fq.edu.uy> wrote: > From: marc at fq.edu.uy <marc at fq.edu.uy> > Subject: [Pw_forum] H pseudopotential > To: "PWSCF Forum" <pw_forum at pwscf.org> > Date: Friday, February 13, 2009, 9:47 PM > Hi > > I looking for a H pseudopotential H.blyp-mt.UPF, isn't > in Q/E homepage, > any suggestion ? > Many thanks. > Marc > > > Marc Segovia > Facultad de Quimica > Universidad de la Republica > Uruguay > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum
