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

[Duy Le]

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.

Yes, it is.

> But when I gave a value Emin=-15 and Emax=15, the calculation crashes.
>
You should look in the scf (or nscf) output. There would be eigenvalues
corresponding to each k-point. From those eigenvalue you can estimate Emin,
Emax.
--------------------------------------------------
Duy Le
PhD Student
Department of Physics
University of Central Florida.

"Men don't need hand to do things"
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