CCL:G: Gaussian: IOp(1/40) and saddle point optimization
From: Piotr Nowak <omenthegreat_+_gmail.com>
Subject: CCL:G: Gaussian: IOp(1/40) and saddle point
optimization
Date: Mon, 10 Jan 2011 03:02:53 +0100
Dear CCL users,
According to http://www.gaussian.com/g_tech/g_iops/ov1.htm#1-40 one can recalculate
the Hessian every N optimization steps - IOp(1/40=N). Unfortunately this seems
to be completely ignored when combined with transition state optimization
because "opt(calcfc/calcall)" keyword is still necessary and overrides
IOp setting. Does anyone know how to solve this problem?