[Pw_forum] terahedra method for projwfc

[Ludwig, Stephan]

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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