Better not what atom has a size of 1 Bohr's radius ? Better check youre structure.
Ciao Gerhard DEEP THOUGHT in D. Adams; Hitchhikers Guide to the Galaxy: "I think the problem, to be quite honest with you, is that you have never actually known what the question is." ==================================== Dr. Gerhard H. Fecher Institut of Inorganic and Analytical Chemistry Johannes Gutenberg - University 55099 Mainz ________________________________________ Von: wien-bounces at zeus.theochem.tuwien.ac.at [wien-bounces at zeus.theochem.tuwien.ac.at]" im Auftrag von "kahal larbi [kahal_l at yahoo.fr] Gesendet: Montag, 23. April 2012 08:39 An: wien at zeus.theochem.tuwien.ac.at Betreff: [Wien] Re :structure file runs without error on SCF but same structure file gives error on optimization Reduce RMT !!! Best Regards