On Nov 22, 2012, at 2:10 , Hrachya Kyureghian wrote: > I definitely have > > calculation='scf'
you cannot get a message like the one you mentioned by simply running a single instance of a self-consistent run. 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
