[Pw_forum] degauss in DOS calculation.

[Jiayu Dai]

>At high temperature, I would expect that the smearing to
> be used in scf and md calculations is larger than the
> smearing needed to get a good-looking DOS. Thet serve
> different purposes: the former is a physical smearing,
> used to get the correct occupations; the latter is a
> "mathematicl" smearing, used to get the DOS with a
> moderate number of k-points
> 


Thanks a lot. The figures of DOS using huge smearing is very different.

So, i do not think we can use the "tetrahedra" method to calculate the DOS now. Is
it right?

Jiayu




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Jiayu Dai
Department of Physics
National University of Defense Technology, 
Changsha, 410073, P R China
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