[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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