[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
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20091229/a903e87a/attachment.html>
More information about the users
mailing list