$ELFLDG group (not required)
This group controls electrostatic field and electric
field gradient calculation.
IEFLD = 0 - skip this property (default)
1 - calculate field
2 - calculate field and gradient
WHERE = COMASS - center of mass
NUCLEI - at each nucleus (default)
POINTS - at points given in $POINTS
OUTPUT = PUNCH, PAPER, or BOTH (default)
IEFINT = 0 - skip printing these integrals (default)
1 - print electric field integrals
2 - also print field gradient integrals
-2 - print field gradient integrals only
The Hellman-Feynman force on a nucleus is the nuclear
charge multiplied by the electric field at that nucleus.
The electric field is the gradient of the electric
potential, and the field gradient is the hessian of the
electric potential. The components of the electric field
gradient tensor are formed in the conventional way, i.e.
see D.Neumann and J.W.Moskowitz.
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For conversion factors, and references
see the 'further information' section.
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Edited by Shiro KOSEKI on Thu Mar 5 10:25:38 2020.