On Fri, 2013-06-14 at 15:43 -0400, Mike Marchywka wrote: > If you have potentials and wavefunctions, how would you define bonds? you can build a career upon this ... P. -- Paolo Giannozzi, Dept. Chemistry&Physics&Environment, Univ. Udine, via delle Scienze 208, 33100 Udine, Italy Phone +39-0432-558216, fax +39-0432-558222