On Jun 25, 2010, at 19:34 , Janesko, Benjamin wrote: > Everything looks reasonable in XCrysDen
and what is the C-Au or O-Au distance? it seems to me that the CO molecule is very far away from the gold surface. If so, it is normal to find very small binding energies P. --- Paolo Giannozzi, Dept of Physics, University of Udine via delle Scienze 208, 33100 Udine, Italy Phone +39-0432-558216, fax +39-0432-558222
