On Thu, 2013-12-19 at 01:27 -0800, david Foster wrote: > Sorry. I have corrected my input not yet: > Error in routine check_atoms (1): > atoms # 1 and # 15 overlap! P. -- Paolo Giannozzi, Dept. Chemistry&Physics&Environment, Univ. Udine, via delle Scienze 208, 33100 Udine, Italy Phone +39-0432-558216, fax +39-0432-558222