On Oct 23, 2009, at 12:35 , Y.M.Qian wrote: > Is anyone know what is wrong with me ?
with you, nothing that I know. With your data: did you by any chance use "translated" k-points grid (e.g. 16 16 16 1 1 1) ? you should use grids centered in k- (e.g. 16 16 16 0 0 0) P. --- Paolo Giannozzi, Dept of Physics, University of Udine via delle Scienze 208, 33100 Udine, Italy Phone +39-0432-558216, fax +39-0432-558222
