[Wien] Incomplete DOS

Stefaan Cottenier Stefaan.Cottenier at UGent.be
Fri Feb 22 12:51:52 CET 2013


> I am calculating the DOS for binary compound TaN and getting DOS only
> before fermi level. I increased the Emax from 1.2 to 4 Ry in case.int
> <http://case.int> file. Even then I am not getting full DOS., Please
> help me.

You might need to increase EMAX in case.in1(c) as well. Rerun lapw1 (or 
rerun an entire iteration), then proceed with all the usual steps for 
the DOS.

Stefaan



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