[Pw_forum] Calculation of projected density of states
xirainbow
nkxirainbow at gmail.com
Wed Sep 2 13:39:49 CEST 2009
Dear Shaptrishi Sharma: *After scf or band calculation, you can check the
Emin and Emax value in output file. *
Or, you can plot the band structure first. Then you will easily get the Emin
and Emax from the figure of electron band.
*You can use the above values for pdos calculation.
*
On Wed, Sep 2, 2009 at 7:27 PM, Shaptrishi Sharma <sh.shapt at gmail.com>wrote:
> Hi there,
> well, I would like to know how do we choose the value of Emin and Emax
> while calculating the projected density fo states
>
> Thanks
> S
>
> _______________________________________________
> Pw_forum mailing list
> Pw_forum at pwscf.org
> http://www.democritos.it/mailman/listinfo/pw_forum
>
>
--
____________________________________
Hui Wang
School of physics, Nankai University, Tianjin, China
-------------- next part --------------
An HTML attachment was scrubbed...
URL: http://www.democritos.it/pipermail/pw_forum/attachments/20090902/b4d5c5d4/attachment-0001.htm
More information about the Pw_forum
mailing list