[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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