[Pw_forum] Doubt in occupations

[Paolo Giannozzi]

Padmaja Patnaik wrote:

> I have a doubt in the 'occupations'. As mentioned in the INPUT_PW 
> document the occupations = tetrahedra for DOS calculations. Is it 
> compulsory for all materials?

the tetrahedron method is compulsory if you want a nice DOS that
looks like those in textbooks; if not, you can use a gaussian broadening

Paolo
-- 
Paolo Giannozzi, Democritos and University of Udine, Italy