[Wien] Re :structure file runs without error on SCF but same structure file gives error on optimization

[Fecher, Gerhard]

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