[Pw_forum] number of k-point

[Giuseppe Mattioli]

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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   Giuseppe Mattioli                            
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