GAMESS Job Types

Job types are specified by placing in the $CONTRL group keywords of the form: RUNTYP=keyword. Possibilities include:

Keyword Description
ENERGY Single point calculation; no optimization
OPTIMIZE Geometry optimization using analytical gradients
TRUDGE Non-gradient geometry optimization
SADPOINT Optimize transition state
IRC Intrinsic reaction coordinate search for transition state; $IRC group required
DRC Dynamic reaction coordinate search for transition state; $DRC group required
HESSIAN Energy + gradient + second derivatives, incl. Vibrational analysis


This page last modified 11:19 AM on Tuesday May 30th, 2006.
Webmaster, Department of Chemistry, University of Maine, Orono, ME 04469