$GRAD group (relevant for RUNTYP=OPTIMIZE or SADPOINT) (relevant for RUNTYP=HESSIAN when RDHESS=.TRUE.) Formatted gradient vector at the $DATA geometry. This data is read in the same format it was punched out. For RUNTYP=HESSIAN, this information is used to determine if you are at a stationary point, and possibly for projection. If omitted, the program pretends the gradient is zero, and otherwise proceeds normally. For geometry searches, this information (if known) can be read into the program so that the first step can be taken instantly. ========================================================== ==========================================================

generated on 7/7/2017