[Pw_forum] number of kpoints for lambda.x

Lorenzo Paulatto lorenzo.paulatto at impmc.upmc.fr
Fri Jan 31 13:33:33 CET 2014


On 01/31/2014 01:02 PM, yelena wrote:
> Hi!
> I'm trying to make lambda.x input, but I can't get proper number of
> kpoints using kpoints.x. Is there any other way to calculate kpoints for
> lambda.x?
> In electron phonon calculation I'm using 12 12 1 grid and get 43 q
> points and when I do kpoints.x for 12 12 1 I get 19 points. I'm having
> hexagonal structure with 7 atoms. What can I do?
>
Dear Yelena,
the electron phonon calculation may be using both the k and k+q points, 
eventually with different symmerty. They are not necessary the same 
produced by kpoints.x

bests



-- 
Dr. Lorenzo Paulatto
IdR @ IMPMC -- CNRS & Université Paris 6
+33 (0)1 44 275 084 / skype: paulatz
http://www-int.impmc.upmc.fr/~paulatto/
23-24/4é16 Boîte courrier 115, 4 place Jussieu 75252 Paris Cédex 05


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