$ELPOT


$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, or BOTH (default)

This property is the electrostatic potential V(a) felt by a test positive charge, due to the molecular charge density. A nucleus at the evaluation point is ignored. 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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