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Re^2: Error concerning " FAILURE TO LOCATE STATIONARY POINT"

Danas
astdan@uaic.ro

Thank you for your answer.
Initially, I used to set the TIMLIM=9999, but I dropped later since I found in an earlier documentation that TIMLIM is by default 525600.0 minutes.

On Fri Sep 7 '12 3:49pm, sanya wrote
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>>Try to increase TIMLIM (I'm afraid the default value is too small, 600 min) and restart geometry optimization with the last-step coordinates.

[ Previous ] [ Next ] [ Index ]           Fri Sep 7 '12 4:41pm
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