[Pw_forum] why is the tetrahedron interpolated DOS step-like?

[Paolo Giannozzi]

On Dec 9, 2011, at 13:33 , Eduardo Ariel Menendez Proupin wrote:

> I would like to know if the step-like aspect of a DOS calculated with
> the tetrahedron interpolation is what is expected to be. Please, take
> a look at the figures attached.

your system is quasi-1d, or at least, the k-point grid is, am I correct?
In that case, I am afraid that what you get is what you should get.
I am actually surprised that it works at all! Notice that the "steps" in
tetrahedron DOS exactly correspond to the "peaks" in gaussian DOS.

Paolo (guilty of the tetrahedron implementation)
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Paolo Giannozzi, Dept of Chemistry&Physics&Environment,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222