[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
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20130504/a9c89682/attachment.html>
More information about the users
mailing list