On Mon, 2013-12-23 at 05:39 -0800, david Foster wrote: > Does this subject (ignoring some symmetry operations) changes final energy.
No, it shouldn't P. -- Paolo Giannozzi, Dept. Chemistry&Physics&Environment, Univ. Udine, via delle Scienze 208, 33100 Udine, Italy Phone +39-0432-558216, fax +39-0432-558222
