Hello All, I'm doing some PCNQM calculations and I was wondering if you can switch the nuclear-nuclear repulsion off in the SCF procedure?
Thanks in advance. cheers Corey Dr Corey Evans Department of Chemistry University of Leicester Leicester, LE1 7RH, UK phone (office): +44 (0)116 252 2088 Fax. : +44 (0)116 252 3789
