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$ELPOT group (not required)
This group controls electrostatic potential calculation.
IEPOT = 0 skip this property (default)
1 calculate electric potential
WHERE = COMASS - center of mass
NUCLEI - at each nucleus (default)
POINTS - at points given in $POINTS
GRID - at grid given in $GRID
PDC - at points controlled by $PDC.
OUTPUT = PUNCH, PAPER, BOTH (default), or NONE
This property is the electrostatic potential V(a) felt
by a test positive charge, due to the molecular charge
density, of both nuclei and electrons. If there is a
nucleus at the evaluation point, that nucleus is ignored,
avoiding a singularity. If this property is evaluated at
the nuclei, it obeys the equation
sum on nuclei(a) Z(a)*V(a) = 2*V(nn) + V(ne).
The electronic portion of this property is called the
diamagnetic shielding.
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generated on 7/7/2017