Section RHO

• Density distribution settings

• Section path: CP2K_INPUT / MOTION / PINT / HELIUM / RHO

• This section cannot be repeated and can be optional.

• Subsections

  • CUBE_DATA

• Keywords

  • SECTION_PARAMETERS
  • IWEIGHT
  • NBIN

• Keyword descriptions

  SECTION_PARAMETERS
  	Whether or not to actually calculate densities (requires significant amount of memory, depending on the value of NBIN)
  	This optional keyword cannot be repeated and it expects precisely one logical.
  	The lone keyword behaves as a switch to .TRUE.
  	Default value: .FALSE.

  IWEIGHT
  	Weight the restarted density should be given (number of MC steps used to average the restarted density, negative value - the same weight as the run-time density, usually should not be changed)
  	This optional keyword cannot be repeated and it expects precisely one integer.
  	Default value: -1

  NBIN
  	Number of bins
  	This optional keyword cannot be repeated and it expects precisely one integer.
  	Default value: 100