On Sep 6, 2012, at 6:06 , Jiseok Kim wrote: > => I don't think I have a problem with 'cg' diagonalization.
maybe not, but it is usually slower than the default Davidson diagonalization 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
