[molpro-user] Nuclear-Nuclear Repulsion Query

Evans, Dr C.J. cje8 at leicester.ac.uk
Wed Jul 28 10:10:51 BST 2004

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.



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

More information about the Molpro-user mailing list