increasing optimization cycles in Mopac
- From: Rajarshi Guha <rxg218!at!psu.edu>
- Subject: increasing optimization cycles in Mopac
- Date: Wed, 14 Jan 2004 16:54:48 -0500
Hi,
I'm trying to do a geometry optimization with Mopac 7.04. The keywords
I have specified are
pm3 t=999999.9 ef hess=1 mmok let gnorm=
However the cacluation does not end properly and I get the error:
EXCESS NUMBER OF OPTIMIZATION CYCLES
Looking through the Mopac manual I dont see anyway to increase the
number of optimization cycles. Does anybody know how can I increase the
number of cycles so that I can achieve the SCF field?
Thanks,
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Rajarshi Guha <rxg218!at!psu.edu> <http://jijo.cjb.net>
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