[Pw_forum] Problem in electron pDOS calculation

[Manu Hegde]

Double check your valence electron configuration. It should be 3s^n 3P^n
(n=number of electrons).


On Tue, Oct 11, 2016 at 4:33 PM, Ranasinghe, Jayangani <jir520 at mail.usask.ca
> wrote:

> Dear QE users
>
>
> I am trying to calculate electron pDOS of Aluminum. It has 1s2 2s2 2p6 3s2
> 3p1 electron configuration. But in my calculation I am getting  1s and 2p
> epdos only. I have attached my input files . I greatly appreciate If anyone
> can help to get this corrected.
>
>
> I tried changing Emax and Emin in epdos.in. But it didn't work. How can
> we choose this energy range correctly ?
>
>
> Thank you
>
> Jaya
>
>
>
>
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