$ELDENS group (not required) This group controls electron density calculation. IEDEN = 0 skip this property (default) = 1 compute the electron density. MORB = The molecular orbital whose electron density is to be computed. If zero, the total density is computed. (default=0) WHERE = COMASS - center of mass NUCLEI - at each nucleus (default) POINTS - at points given in $POINTS GRID - at grid given in $GRID OUTPUT = PUNCH, PAPER, or BOTH (default) IEDINT = 0 - skip printing of integrals (default) 1 - print the electron density integrals ========================================================== ==========================================================
generated on 7/7/2017