[Pw_forum] k point generation

giannozz at democritos.it giannozz at democritos.it
Fri Jun 29 19:53:15 CEST 2012


Quoting MMS <mm2422 at cornell.edu>:

> a) Some sort of check that ensures that k points fall within the
> Wigner-Seitz Cell (first Brillouin Zone).

> b) During the generation of the k point mesh, the sampling seems to not
> extend in all quadrants of the crystal space

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


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