On Jan 21, 2011, at 21:11 , Yuyang Zhang wrote: > try to use -ntg tag when submitting the jobs but no significant > improvement.
note that versions up to 4.2.1 have a bug in the spin-polarized case at Gamma point if you use -ntg 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
