Section RHO

• Density distribution settings

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

• This section cannot be repeated.

• Subsections

  • CUBE_DATA

• Keywords

  • SECTION_PARAMETERS
  • IWEIGHT
  • NBIN

• Keyword descriptions

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

  IWEIGHT
  	IWEIGHT {Integer}
  	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 keyword cannot be repeated and it expects precisely one integer.
  	Default value: -1

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