[Pw_forum] terahedra method for projwfc

[Debnath Talukdar]

greaaaaaat bosss

On Thu, Mar 19, 2015 at 5:10 PM, Ludwig, Stephan <
stephan.ludwig at pi1.physik.uni-stuttgart.de> wrote:

>  Hello,
>
>
> I read that the tetrahedron method is not implemented for
> projwfc-calculations.
>
> What does this mean?
>
> I have done scf calculation with gaussian smearing and afterwards nscf
> calculations with tedrahedra ( wanted to calculate DOS).
>
> Now I whant to obtain the PDOS. When I do not specify any occupation and
> smearing and degauss in the projwfc-file I do not receive any error
> messages.
>
> I suppose the program chooses some default values (gaussian smearing etc.
> Which defaults are chosen?).
>
> My question: Is it a good idea to use a nscf-calculation with
> tetrahedra-method to calculate PDOS or shall I repeat the nscf with
> gaussian smearing?
>
>
> Thanks and regards,
>
> Stephan
>
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