[Pw_forum] Charge density at any k-point in the Brillouin zone

Lorenzo Paulatto lorenzo.paulatto at impmc.upmc.fr
Sat May 4 17:26:59 CEST 2013


On 05/04/2013 07:37 AM, koushik pal wrote:

> I am not sure about *"kpoint=1"* because in the scf output file 
> "kpoint=1" means the \Gamma point.
>
If you use an automatically-generated NON-SHIFTED grid, than the Gamma 
point is normally the first one in the list.

But I cannot be sure either: I have not seen your input nor your output 
file.


best regards

-- 
Dr. Lorenzo Paulatto
IdR @ IMPMC -- CNRS & Université Paris 6
phone:+33 (0)1 44275 084 / skype: paulatz
www:  http://www-int.impmc.upmc.fr/~paulatto/
mail: 23-24/4é16 Boîte courrier 115, 4 place Jussieu 75252 Paris Cédex 5

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