On Nov 17, 2012, at 9:58 , somayeh fotohi wrote: > I dont know a in 2pi/a is bohr or angstrom? it doesn't matter. In units of 2pi/a, k-points are adimensional. 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