EXTERNAL_VXC

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

Keywords

• FILE_VXC

• GRID_TOL

Keyword descriptions

FILE_VXC

Type: string[ ]
Default: VXC.dat
Usage: FILE_VXC

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

GRID_TOL

Type: real
Default: 1.00000000E-012
Usage: GRID_TOL

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