[Pw_forum] Charge Density of Each State

[Gulcin Tetiker]

Should i do separate calculations like nbnd= 12 and later 13, etc. or can i write all down by separating with spaces, comma, etc.

 Gulcin

On Jun 28, 2012, at 12:11 PM, Lorenzo Paulatto <lorenzo.paulatto at impmc.upmc.fr> wrote:

> On Thu, Jun 28, 2012 at 6:02 PM, Gulcin Tetiker <gkucukdalyan at gmail.com> wrote:
> Thanks a lot for the info. I got the idea. So does it mean that if i want to calculate LUMO do i have to add 1 to the HOMO so that the code can print the LUMO level?
> 
> 
> The code normally does not compute the LUMO; you need to manually set the number of bands (nbnd) to get it.
> 
> bests
> 
> -- 
> Lorenzo Paulatto IdR @ IMPMC/CNRS & Université Paris 6
> phone: +33 (0)1 44275 084 / skype: paulatz
> www:   http://www-int.impmc.upmc.fr/~paulatto/
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> 
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