[Pw_forum] DOS calculation

Stefano de Gironcoli degironc at sissa.it
Tue Feb 15 09:16:40 CET 2005


Sergey Lisenkov wrote:

>Dear PWscf authors and users,
>
>I calculate the DOS using the next region:
>
>Emin=-8.0 Emax=8.0 DeltaE=0.05
>
>But in output file I see the next region:
>
>#  E (eV)   dos(E)     Int dos(E)
> -8.000  0.1333E+02  0.6664E+00
>.........
>  3.000  0.1065E+02  0.1192E+03
>  3.050  0.1748E+01  0.1192E+03
>
>The question is: why the region is different that I put?
>  
>
do you have enough bands to reach  +8 eV ?
stefano




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