On Wed, 2013-05-29 at 18:48 -0700, Yantao Wu wrote: > But I have difficulty in the scf convergence
you haven't read the FAQ, have you? P. -- Paolo Giannozzi, Dept. Chemistry&Physics&Environment, Univ. Udine, via delle Scienze 208, 33100 Udine, Italy Phone +39-0432-558216, fax +39-0432-558222
