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In an analogous way electrostatic potentials can be calculated on grids.
leads to calculation of the electrostatic potential of electrons and
nuclei (and external constant electric fields and point charges Q if
In order to prevent the calculation of singularities at
the positions of nuclei, for gridpoints that are closer to a nucleus than
10-6 a.u. the charge of the respective nucleus is omitted in the
calculation of the electrostatic potential for these points.
The output files are termed