On Sat, Oct 27, 2012 at 10:15 AM, Paresh Chandra Rout < pareshchandra at iiserb.ac.in> wrote:
> Dear all, > Recently I am working on BiFeO3 in quantum espresso .I am using > norm conserving pseudopotential for Bi which is become very time > consuming.So I am searching for a ultrasoft pseudopotential for Bi. you can get USPP and PAW pseudopotenial in pslibrary. > Can anybody suggest a good ultrasoft pseudopotential for Bi ? > what do you mean by good ultrasoft pseudopotentail? you have to take pseudopotentail and check it for a simple system to analyzed the output of the system with respect to convergence with ecut kpoints and celldm. then you can relized the goodness of the pseudopotential. > > > Thank you > paresh chandra rout > IISER BHOPAL > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://pwscf.org/mailman/listinfo/pw_forum > -- Thanks and Regards Bramha Prasad Pandey Ph.D Student Indian School of Mines(ISM) Dhanbad, INDIA. -------------- next part -------------- An HTML attachment was scrubbed... URL: http://pwscf.org/pipermail/pw_forum/attachments/20121027/c1316826/attachment.html
