Section EXTERNAL_VXC

• SCF convergence with external v_xc calculated through previous ZMPcalculation

• Section path: CP2K_INPUT / FORCE_EVAL / DFT / EXTERNAL_VXC

• This section cannot be repeated.

• Subsections

  • none

• Keywords

  • FILE_VXC

• Keyword descriptions

  FILE_VXC
  	FILE_VXC {Word} ...
  	The *.cube filename containing the v_xc potential. This works onlywith NGRID 1 imposed in the MGRID section. The number of points in eachdirection, and the spacing must equal to those previously used in the ZMPcalculation and defined through the plane wave cut-off and the cube dimensionrespectively set in section MGRID / keyword CUTOFF, and in section SUBSYS /CELL / keyword ABC
  	This keyword cannot be repeated and it expects a list of words.
  	Default value: VXC_O.dat