Dear Davoud
Use
K_POINTS {automatic}
4, 4, 4, 1, 1, 1
for a grid of, e.g., 4*4*4 k points (shifted wrt gamma, this is the meaning of
the 1,1,1 cards). If you want to include gamma, your six numbers will be
4, 4, 4, 0, 0, 0. Notice that the generated k-points could be replicated (or
deleted) depending upon the symmetry of your system. Read (more carefully)
the /yourespresso/Doc/INPUT_PW.txt file for further insight...
Yours
Giuseppe
On Saturday 29 May 2010 13:18:15 davood Vahedi wrote:
> Dear all
> I want to generate many?uniform K-point?for?NSCf calculation
> ?How?can i generate such a kpoint grid?
>
> Davoud Vahedi
> Ferdowsi University of Mashhad
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