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

[Jinjan Ren]

Dear Peter Blaha:
                 When I use 5 k-point there is no problem. But we I used 50 or
                 100 k-point there is such problem. But the accuracy of 5
                 k-point is not enough.
Best,
Jinjun

 wrote on 2011-10-17:
> 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
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> Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
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