[Pw_forum] Charge Density of Each State

[Gulcin Tetiker]

As far as i understand whatever kband number i write as an input QE print the output of that file. So my question is that if i want to calculate all bands do i need to write them all by separating them with space, comma etc.

How about for kpoint? Does it just calculate the kpoint specifies by the code? For example kpoint= 1 just do calculation for only the first kpoint. How about if i wanna calculate for all k points?
 Thanks

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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