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| 2:30:02 PM PDT - Fri, Sep 6th 2013 |
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Dear Geoff;
Recently I had a similar problem, and playing with following parameters solved it.
SWAP ALPHA .... + SWAP BETA .... + ADAPT OFF (I had symmetry)
The swapping, I did on the frontier orbital (HOMO--LUMO).
my molecule had about 60-70 atoms.
For me also smaller basis was fine but with DZVP failed.
It may also works for you.(Just an idea)
Shahab
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S. Shahab Naghavi
(SISSA)
Scuola Internazionale Superiore di Studi Avanzati
Via Bonomea 265, Tireste, Italy
Phone: +39-403787448
Email(1): snaghavi@sissa.it
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