Hello, all:
During a geometry optimization I've enccounted a "bad fit" problem. The
warning message that I get is INACCURATE FIT OF ATOM-PAIR DENSITIES.
Did anyone have similar problem and knows how to fix it ?
Thanks
Irina
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Irina Novozhilova
Department of Chemistry
733 Natural Sciences & Math Complex
State University of New York at Buffalo
Buffalo, New York 14260-3000
E-mail: chem9988_at_acsu.buffalo.edu
Tel.: +1 (716) 645-6800 x.2218
Fax : +1 (716) 645-6948
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Received on 2001-11-15 17:15:22
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