Elliptic integrals

The integration of the electrostatic interaction between spherical atoms is done very precisely in an elliptic grid, which depends on NUELSTAT and NVELSTAT

NUELSTAT

Electrostatic interaction integrals between spherical atomic densities are computed by numerical integration over an elliptic grid. Nuelstat is the outward (parabolic) coordinate number of integration points.
Default: 50

NVELSTAT

Electrostatic interaction integrals between spherical atomic densities are computed by numerical integration over an elliptic grid. Nvelstat is the angular (elliptic) coordinate number of integration points.
Default: 80