TURBOMOLE Users Forum
TURBOMOLE Modules => Statpt => Topic started by: mboehme on September 13, 2013, 10:30:10 AM
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Hi all,
I'm trying to optimize a TS with Hessian recalculation. In 'define' there's an option "auto" for hssfreq, but what's the criterion for statpt to recalculate the Hessian? I've found nothing about this in the manual.
Regards,
Michael