[Wien] Incomplete DOS

Mamta Chauhan mamta.chauhan71 at gmail.com
Mon Feb 25 07:37:28 CET 2013


Thank you very much for your kind suggestions.

On Fri, Feb 22, 2013 at 5:21 PM, Stefaan Cottenier <
Stefaan.Cottenier at ugent.be> wrote:

>
>  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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