Section EXTERNAL_VXC

• Section used to specify exernal VXC Potentials.

• Section path: CP2K_INPUT / ATOM / METHOD / EXTERNAL_VXC

• This section cannot be repeated.

• Subsections

  • none

• Keywords

  • FILE_VXC
  • GRID_TOL

• Keyword descriptions

  FILE_VXC
  	FILE_VXC {Word} ...
  	Specifies the filename containing the external vxc
  	This keyword cannot be repeated and it expects a list of words.
  	Default value: VXC.dat

  GRID_TOL
  	GRID_TOL {Real}
  	Tolerance in the equivalence of read-grid in ZMP method
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 1.00000000E-012