[Pw_forum] dos and pdos

Prasenjit Ghosh prasenjit.jnc at gmail.com
Sun Aug 3 11:57:38 CEST 2008


try using Gaussian smearing..............most probably ur using
Mathfessel-Paxton smearing.

Prasenjit.

2008/8/3 Hande Ustunel <hande at newton.physics.metu.edu.tr>

> 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
> Office 439
> Middle East Technical University
> Ankara 06531, Turkey
> Tel : +90 312 210 3264
> http://www.physics.metu.edu.tr/~hande<http://www.physics.metu.edu.tr/%7Ehande>
>
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