PC GAMESS-related discussion club

Re^2: Nvib=2 for IR intensities?

Maurizio Ciofalo
omega@unipa.it

>However, in many cases it is sufficient to perform just nvib=1 calculations.

Is among them the case where one needs the hessian of a starting geometry for hunting a TS through  the RUNTYP=SADPOINT key? It would be great to save half of the CPU time!

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