[Wien] HELP Kparallel projected DOS

Peter Blaha pblaha at zeus.theochem.tuwien.ac.at
Tue Dec 16 09:11:30 CET 2003


> After performing a SCF calculation, I would like to calculate k parallel
> resolved DOS (using the wien code).
> More precisely, I would like to calculate the DOS projected over the 2D BZ
> (for a given point (kx,ky), 'integration' only over kz.
> As I could understand, the TETRA program calculates the integrated DOS by
> means of the tetraedron method.

I'm afraid you will have to write such a summation over this projection
yourself.

                                      P.Blaha
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Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
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