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 ---------------------------------------------------------------- This message was sent using IMP, the Internet Messaging Program.
