$VIB group (relevant for RUNTYP=HESSIAN, METHOD=SEMINUM) Formatted restart data, consisting of energies, gradients, and dipole moments. This data is read in the same format by which is was written to the RESTART file. Just add a " $END" card, and place this group into the input file to effect a restart. If the final displacement's gradient was written as zero, delete the entire last data set (energy, gradient, and dipole). In case the numerical hessian was run in groups (see $GDDI), the $VIB entries will be out of order. The unsorted data can be read back in, if and only if the new run is also using processor groups. Note that assembling a complete $VIB could be sent to one core in one group, but use NGROUP=1 to make it look like a "group run". This group can be used to turn a less accurate single differencing run into a more accurate double differencing run (NVIB in $HESS). The mere presence of this group triggers the restart. ========================================================== $VIB2 group (relevant for hessians, METHOD=FULLNUM) (relevant for gradients, with NUMGRD=.TRUE.) Formatted restart information, consisting of energy values, as written to the RESTART file. Just add a " $END" line at the bottom, and place this group into the input file to effect a restart. This group has the same name ($VIB2), but different contents, depending on whether you are restarting a numerical gradient or a fully numerical hessian job. The mere presence of this group triggers the restart. ===========================================================
generated on 7/7/2017