[Pw_forum] Charge Density of Each State

[Lorenzo Paulatto]

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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