On Mon, 2015-01-19 at 07:52 +0000, samira adimi wrote: > I have attached both input and output file. are you sure? Paolo -- Paolo Giannozzi, Dept. Chemistry&Physics&Environment, Univ. Udine, via delle Scienze 208, 33100 Udine, Italy Phone +39-0432-558216, fax +39-0432-558222