On Sep 15, 2007, at 7:50 , hyello25 Qgrui wrote: > And can anyone tell me what does the 'ak'(in blyp-van_ak) mean? ak == Axel Kohlmeyer, who was so kind to supply a number of ultrasoft pseudotentials generated using David Vanderbilt's code. Paolo --- Paolo Giannozzi, Democritos and University of Udine, Italy