[Wien] Bands crossing Fermi surface
Peter Blaha
pblaha at zeus.theochem.tuwien.ac.at
Thu Jan 6 08:23:54 CET 2005
You find this in case.output2 (or outputt(etra). In the next release it
will also be in the scf file.
You can also use the FS-option of Xcrysden and wee which bands are
crossing.
> Does anyone know if, for a metal, the WIEN code reports anywhere
> which bands cross the Fermi surface?
>
> I can read all the energies, and check myself, but if it's allready in an
> output file somewhere, it would be better to process that file.
>
> Thanks.
>
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P.Blaha
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Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
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Email: blaha at theochem.tuwien.ac.at WWW: http://info.tuwien.ac.at/theochem/
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