[Wien] WARNING: EF not accurate, new emin,emax,NE-min,NE-max

[Peter Blaha]

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


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                                       P.Blaha
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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/
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