[Pw_forum] projected DOS

[Uri Argaman]

Dear QE users and developers

I notice that there is no implementation for the tetrahedron method for
projected DOS. Is there any way to calculate projected DOS (calculated with
projwfc.x) to get comparable results with the total DOS (calculated with
dos.x with the tetrahedron method)?

Is it possible to extract the details of the DOS using the methods
implemented in QE like features of van Hove singularities?

In addition, is there any published works using projected DOS calculated
with QE?

Recently, new codes for DOS calculations published (optados.org). Is there
a significant difference compared with the tetrahedron method as
implemented in QE?

Thank you very much


Uri Argaman

Ben-Gurion University

Israel
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