$GAMMA group required if RUNTYP=GAMMA This group governs evaluation of the 3rd derivative of the energy with respect to nuclear coordinates, by finite differentiation of Hessians (see $FORCE options). NFCM = n describes the amount of restart data provided. The default is n=-1, to evaluate everything. A value of n means that n+1 $FCM groups are to be read from the file (hessian #0 means the equilibrium geometry). Restart data is read from a .gamma file, created by an earlier run. DELTA = step size, default=0.01 Bohr PRTALL = flag to print full Hessian and Gamma matrix, the default is .FALSE. PRTSYM = flag to print unsymmetrical Gamma elements, the default is .FALSE. PRTBIG = flag to print large Gamma elements, default = .F. ========================================================== $EQGEOM group required if NFFLVL=2 or 3 in $CONTRL The coordinates of the stationary point, where the hessian and possibly 3rd derivative information was evaluated, in exactly the format it was printed by RUNTYP=GAMMA. ==========================================================

generated on 7/7/2017