[Pw_forum] occupations=tedrahedra

[Ludwig, Stephan]

Hello,

I read it is suggested to use the option "occupations=tedrahedra" and "nosym=.true." in order to calculate DOS.

Do I have to use these options just in the nscf-run or also in the scf-rund?

And by the way I have difficulties to understand what these options mean. All I understand is that tedrahedra inhibits that I miss some singularities in DOS. But I do not understand how it works.



Can anybody help me to improve my comrehension?



Thanks and regards



Stephan Ludwig

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