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

Shaptrishi Sharma sh.shapt at gmail.com
Sun Nov 1 03:54:23 CET 2009


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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