Dear ?? yes you are right. I am using LSDA+U and sigma-GGA+U for FeO. But I didn't set U_projection_type to 'file' . Do you think it might be root of error? I want to test it. ( I used starting_ns_eigenvalue in my inputs) I am look forward to hearing from you Pashangpour
On Thu, Jun 11, 2009 at 11:07 AM, ?? <panda.deng.pan at gmail.com> wrote: > Without detail no one can help you. > > 2009/6/11 Mansoureh Pashangpour <mansourehp at gmail.com> > >> Dear all >> I have calculated DOS and Bandstructure for a system. >> I expect to find similar gap from two runs. >> But they have 0.4 eV difference with each other. What is the root of this >> differenc? >> Thanks >> Pashangpour >> >> _______________________________________________ >> Pw_forum mailing list >> Pw_forum at pwscf.org >> http://www.democritos.it/mailman/listinfo/pw_forum >> >> > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum > > -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20090611/b04ab046/attachment.htm
