Section WEIGHT_FUNCTION

• Controls the printing of cube files with the CDFT weight function(s). Intended for single-point testing. In multistep simulations, generated cube files are overwritten each step.

• Section path: CP2K_INPUT / FORCE_EVAL / DFT / QS / CDFT / PROGRAM_RUN_INFO / WEIGHT_FUNCTION

• This section cannot be repeated.

• Subsections

  • none

• Keywords

  • STRIDE

• Keyword descriptions

  STRIDE
  	STRIDE {Integer} ...
  	The stride (X,Y,Z) used to write the cube file (larger values result in smaller cube files). You can provide 3 numbers (for X,Y,Z) or 1 number valid for all components.
  	This keyword cannot be repeated and it expects a list of integers.
  	Default value: 2 2 2