[Pw_forum] k point generation

MMS mm2422 at cornell.edu
Fri Jun 29 21:45:18 CEST 2012


>
> it doesn't matter which k-point in the star we take as representative
> of the entire star (with weight proportional to the no. of k-points in the
> star). k and k+G are equivalent. Also note that k and -k are
> equivalent (by time reversal symmetry)
>
> Paolo
>
>
> Oh I get it!! Thank you very much. Just to summarize it,

It is enough to work in the unit cell prescribed by the reciprocal lattice
vectors and generate the k-points there.

regards
Meenakshi Sundaram M
Grad Student
Mechanical and Aerospace Engineering
Ithaca
Cornell
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