Dear P Shok: Is there a limit that all smearings converge? For instance, is it possible > to say that in very small degauss, all smearings give the same result? > I think so. You can find some example at here: http://blog.sina.com.cn/s/blog_5f15ead20100d1ki.html
However, keep in mind: small degauss must be used with large k-mesh. Thank you for your help. > P Shok > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum > > -- ____________________________________ Hui Wang School of physics, Fudan University, Shanghai, China -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20110505/d9b3f0d9/attachment.htm
