On Jan 23, 2010, at 5:16 , Brad Malone wrote: > So besides the using of a 2000 Ry cutoff for silicon, what else is > wrong here?
are you using the latest cvs version? apparently there is a problem with the new symmetrization algorithm that will be fixed ASAP. By the way, fcc Si with k=0 is an unphysical system: it may easily yield funny results P. --- Paolo Giannozzi, Dept of Physics, University of Udine via delle Scienze 208, 33100 Udine, Italy Phone +39-0432-558216, fax +39-0432-558222
