[Pw_forum] How do we choose Emin and Emax while calculating the Density of states?

Stefano de Gironcoli degironc at sissa.it
Sun Nov 1 05:39:35 CET 2009


dear S,
  please provide your affiliation.
  are you sure the problem is related to definition of emin and emax ?
  is the code working if you do not specify any value for them ?
  are you sure you are not typing in some control character?
  best,
   stefano de gironcoli - SISSA and DEMOCRITOS

Shaptrishi Sharma wrote:
> Hi Quantum espresso users!
>
> I want to calculate Density of states however I do not know what value 
> shall I give for Emin and Emax. To be honest I have not understood 
> what Emin and Emax, as from the manual I can predict that it is the 
> range of energy from where i would like to like to plot my DOS. But 
> when I gave a value Emin=-15 and Emax=15, the calculation crashes.
>
> Suggestions welcome!
>
> Thanks
>
> S
>
>
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