[Pw_forum] about fermi level

xirainbow nkxirainbow at gmail.com
Tue Dec 29 16:41:52 CET 2009


Dear Wang:
 I think the fermi level of scf is more believable than that of nscf:)

2009/12/29 Q.J.Wang <wangqj1 at 126.com>

> Dear all
>      After I run scf(k-points,3*3*3)with 'smearing'  , I increase the
> k-points (5*5*5)and run nscf with 'tetrahedra' in order to get DOS,but the
> fermi levels have little difference between the scf.out and nscf.out .
> Which I should select when plot DOS pictuce ?
>      I have search in the forum ,but still haven't the correct answer .
> --
>  Best regards
>
> Q.J.Wang
>
> XiangTan University
>
>

____________________________________
Hui Wang
School of physics, Nankai University, Tianjin, China
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