EXTERNAL_VXC

Section used to specify exernal VXC Potentials. [Edit on GitHub]

Keywords

• FILE_VXC

• GRID_TOL

Keyword descriptions

FILE_VXC: string = VXC.dat

Usage: FILE_VXC

Specifies the filename containing the external vxc [Edit on GitHub]

GRID_TOL: real = 1.00000000E-012

Usage: GRID_TOL

Tolerance in the equivalence of read-grid in ZMP method [Edit on GitHub]