[Pw_forum] kpoints.x querry

Paolo Giannozzi giannozz at democritos.it
Mon Jan 14 19:31:54 CET 2013

On Jan 14, 2013, at 17:19 , Nandan Tandon wrote:

> does kpoints.x generate MP grid points?

I think so

> I thought that since it's a uniform grid, the ranges of K_x, K_y  
> and K_z
> would be identical and symmetric. i.e. for e.g. K_x varying between  
> -1.25 to 1.25 etc

have a look at the complete list of k-points (not just those in the  
Irreducible Brillouin
Zone). It will look more similar to what you expect.

Paolo Giannozzi, Dept of Chemistry&Physics&Environment,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222

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