Use a better k-mesh. Am 15.10.2011 23:15, schrieb Jinjan Ren: >> Dear WIEN users, > During the SCF of Li13Si4, the day life alwayls show: WARNING: EF not > accurate, new emin,emax,NE-min,NE-max. But I need accurate EF because > I need the DOS at EF level. There is no error information. The energy > also converges. I appreciate you very much if you can give me some > suggestions about this problem. Thanks a lot! > Best, > Jinjun
-- P.Blaha -------------------------------------------------------------------------- Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna Phone: +43-1-58801-15671 FAX: +43-1-58801-15698 Email: blaha at theochem.tuwien.ac.at WWW: http://info.tuwien.ac.at/theochem/ --------------------------------------------------------------------------