[Pw_forum] dos and pdos

Hande Ustunel hande at newton.physics.metu.edu.tr
Sun Aug 3 11:19:24 CEST 2008


Dear Mansoureh,

It might be due to your smearing scheme. Try Marzari-Vanderbilt or
Gaussian.

Best,
Hande

On Sun, 3 Aug 2008, Mansoureh Pashangpour wrote:

> Dear all
> I otain dos and odos plots a bit lower than zero.how can I correct them.dose
> it correct with increasing k points or k mesh.I chose 6 6 3 for k points.if
> I use 18 18 9 it migth be better?
> good luck
> Mansoureh
> 

-- 
Hande Toffoli
Department of Physics
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Middle East Technical University
Ankara 06531, Turkey
Tel : +90 312 210 3264
http://www.physics.metu.edu.tr/~hande




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