[Pw_forum] about DOS

[Eyvaz Isaev]

Hi again,

Using the smearing technique you allow your system to
be "metallic". In this case for a semiconductor
(insulator) you will find a tail of the DOS in the
band gap (due to a smearing).  
So, yes, you can use nonzero degauss even for
semiconductors. But be careful for a small band gap
semicondutor using degauss.

Bests,
Eyvaz.  

--- Ezad Shojaee <ezadshojaee at hotmail.com> wrote:

> hi dear Eyvaz
> by the INPUT_PW, i think that 'smearing' occupation
> is for metals( with a 
> non-zero degauss ) .should i use this for a
> semi-conductor?
> thanks
> 
>
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