Hi, You may reduce your mixing parameters: mixing_beta or change the scheme of diagonalization.
regards 2009/3/17 idoldog <idoldog at gmail.com> > I alse change the k-point mesh from 6 6 6 to 4 4 4. > > all best > > -------------- > ?? > > > > ======================== > > ???????? > > ?????????94? > > Email:lifei.chn at mail.nankai.edu.cn <Email%3Alifei.chn at > mail.nankai.edu.cn> > > QQ:155192560 > > MSN:lifei.chn at hotmail.com <MSN%3Alifei.chn at hotmail.com> > > ======================= > 2009-03-17 > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum > -- Hai-Ping Lan Department of Electronics , Peking University , Bejing, 100871 lanhaiping at gmail.com, hplan at pku.edu.cn -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20090317/09977679/attachment.htm
