$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. * * * * * * * * * * * * * * * * * * * * For conversion factors, and references see the 'further information' section. * * * * * * * * * * * * * * * * * * * * ========================================================== $POINTS group (not required) This group is used to input points at which properties will be computed. This first card in the group must contain the string ANGS or BOHR, followed by an integer NPOINT, the number of points to be used. The next NPOINT cards are read in free format, containing the X, Y, and Z coordinates of each desired point. ==========================================================

generated on 7/7/2017