CCL:G: Gaussian: IOp(1/40) and saddle point optimization



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?

Best regards,
PN

--
Piotr Nowak
PhD student
University of Groningen
Stratingh Institute for Chemistry 
Nijenborgh 4
9747 AG Groningen
The Netherlands
http://www.google.com/profiles/omenthegreat