[Pw_forum] (no subject)

[Nasim Ha]

Thanks

در تاریخ 22 مهٔ 2017 19:58، "shivam kansara" <sidkans23 at gmail.com> نوشت:

Dear Nasim Ha

Pl refer

http://qe-forge.org/pipermail/pw_forum/2012-July/099147.html

On Mon, May 22, 2017 at 7:47 PM, Nasim Ha <nasim.h1364 at gmail.com> wrote:

> Dear all,
> I want to calculate charge density of lowest  unoccupied (LUMO). At
> first, I run pw.x and then run pp.x,but when I want to see plot of
> charge density  in xcrycden, it was got an error that it is out of
> range. I use plot_num=10 in inputfile for pp.x. please help me.
> lowest unoccupied level (ev):-0.9714
> highest occupied:-3.6955
> I set emin = -3.5561    and emax=-0.9514
> Thanks
>
> --
> N.H.Jazi
> PhD student of Physics.
> Physics Department,Central Tehran Branch,Islamic Azad
> University,Tehran,88074907,Iran.
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>



-- 
*With Regards*

*Mr. Shivam Kansara*

*E-mail: d15ph002 at ashd.svnit.ac.in <d15ph002 at ashd.svnit.ac.in>*

*Ph.D.(Research Scholar), Department Of Applied Physics*
*National Institute Of Technology, Surat, Gujarat.*

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