Thank you for your advice, and the N PP works fine. 2009/4/1 Dal Corso Andrea <dalcorso at sissa.it>
> On Wed, 2009-04-01 at 14:34 +0800, ??? wrote: > > Dear QE users, > > Recently, I try to study AlN with spin-orbital interaction. > > However,there is no N pseudopotential for relativistic calculation in > > pwscf website. Can anybody provide me such N pseudopotential or give > > me some advices to get it? Thank you in advance! > > > > atomic_doc/pseudo_library/LDA/REL/N.rel-pz-rrkjus.in<http://n.rel-pz-rrkjus.in/>or > atomic_doc/pseudo_library/PBE/REL/N.rel-pbe-rrkjus.in<http://n.rel-pbe-rrkjus.in/> > > Please use the one on the cvs version and let us know if it works. Note > that ld1.x of espresso 4.0.X has a bug in the new format so you need to > set upf_v1_format=.true. to obtain a working PP. The bug has been > corrected in ld1.x of the cvs version. > > Hope this helps, > > Andrea > > > -- > > Y. C. Cheng > > Department of Phyics > > Nanjing University > > Nanjing 210093 > > P. R. China > > Tel: 86-25-83592907 > > Email: yccheng.nju at gmail.com > > > > _______________________________________________ > > Pw_forum mailing list > > Pw_forum at pwscf.org > > http://www.democritos.it/mailman/listinfo/pw_forum > -- > Andrea Dal Corso Tel. 0039-040-3787428 > SISSA, Via Beirut 2/4 Fax. 0039-040-3787528 > 34014 Trieste (Italy) e-mail: dalcorso at sissa.it > > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum > -- Y. C. Cheng Department of Phyics Nanjing University Nanjing 210093 P. R. China Tel: 86-25-83592907 Email: yccheng.nju at gmail.com -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20090403/bc6343d9/attachment.htm
