Eyvaz Isaev wrote: > Dear Xianghun, > > Norm-conserving pseuodpotential for nitorgen you can > generate using Paolo's code (please look at the > pseudopotential section of the web-site). > Besides you can visit www.abinit.org and get > Troullier-Martin type PsP for a lot of elements. But > in this case you have to convert it using the > FHI2pwscf code. But due to format change I am not > aware about the last. The 1.2.0 version is still not > installed on my computers. > > Regards, > Eyvaz. > > > --- xhongjun <xhongjun at mail.ustc.edu.cn> wrote: > >>Dear PWSCF users: >> Can I use PWSCF 1.2.0 calculate the LO-TO split >>with the ultrasoft pseudopotential? >> By the way,where can I find the norm-Conserving >>pseudopotential >>for N ? >> >>sincerely yours >>xianghjun >> >>_______________________________________________ >>Pw_forum mailing list >>Pw_forum at pwscf.org >>http://www.democritos.it/mailman/listinfo/pw_forum > > > > __________________________________________________ > Do you Yahoo!? > Yahoo! Web Hosting - establish your business online > http://webhosting.yahoo.com > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum > > Dear Eyvaz Isaev: Thanks for reply. Unfortunately the FHI pseudopotentials for most elelments are not available on http://ftp.abinit.org/ABINIT/Psps/LDA_FHI/fhi.html. How can I transform the Troullier-Martin pseudopotentials on http://www.abinit.org/ABINIT/Psps/LDA_TM/lda.html to pwscf format?
Best regards. xianghjun
