On Sep 1, 2011, at 8:42 , mayank gupta wrote: > I got 176 k points while using the kpoint.x utility i found it > generates > only 120 k points for simple cubic structure. did i make any mistake?
kpoint.x yields k-points in the Irreducible Brillouin Zone (IBZ) of the lattice. pw.x yields k-points in the IBZ of the crystal (unless otherwise specified). If the crystal has a lower symmetry than the lattice alone, it may have a larger IBZ and a larger number of inequivalent k-ponts 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
