[Pw_forum] kpoints.x querry

[Nandan Tandon]

Thanks for your reply Paolo.

does kpoints.x generate MP grid points?

I thought that since its 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.

Nandan.

On Fri, Jan 11, 2013 at 4:58 PM, Paolo Giannozzi <giannozz at democritos.it>wrote:

>
> On Jan 11, 2013, at 18:00 , Nandan Tandon wrote:
>
> > 1. I was wondering why the grid is not symmetric. For instance
> > corresponding to the 6th point
> > (-1, 0, 0), how come the (1,0,0) point does not appear in the list?
>
> k and -k are always equivalent by time invariance. In this case, they
> also differ by a
> reciprocal lattice vector
>
> > Why do the range of k_x values exceed unity?
>
> why not? you can always translate a k-vector by any reciprocal
> lattice vector
>
> P.
> ---
> 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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-- 
***********************************************************************************************
Nandan Tandon
Department of Physics,
Worcester Polytechnic Institute,
100 Institute Road,
Worcester, MA
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