CFOUR_GRID

Keyword used to control type of grid calculation (see later section in this manual). Options are OFF (=0), no grid calculation; CARTESIAN (=1), steps are in Cartesian coordinates (which must be run with CFOUR_COORDINATES =CARTESIAN); INTERNAL (=2), steps are in Z-matrix internal coordinates; QUADRATURE (=3) steps are chosen for an integration based on Gauss-Hermite quadrature. (Default: OFF)

• Type: string

• Possible Values: OFF, CARTESIAN, INTERNAL, QUADRATURE

• Default: OFF