Section RDF

• Radial distribution settings

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

• This section cannot be repeated.

• Subsections

  • none

• Keywords

  • SECTION_PARAMETERS
  • HE_HE
  • MAXR
  • NBIN
  • SOLUTE_HE

• Keyword descriptions

  SECTION_PARAMETERS
  	&RDF {Logical}
  	Whether or not to actually calculate this property
  	This keyword cannot be repeated and it expects precisely one logical.
  	The lone keyword behaves as a switch to .TRUE.
  	Default value: .FALSE.

  HE_HE
  	HE_HE {Logical}
  	Whether or not to calculate He-He RDFs
  	This keyword cannot be repeated and it expects precisely one logical.
  	The lone keyword behaves as a switch to .TRUE.
  	Default value: .FALSE.

  MAXR
  	MAXR {Real}
  	Maximum RDF range, defaults to unit cell size
  	This keyword cannot be repeated and it expects precisely one real.
  	Default unit: [angstrom]

  NBIN
  	NBIN {Integer}
  	Number of bins
  	This keyword cannot be repeated and it expects precisely one integer.
  	Default value: 250

  SOLUTE_HE
  	SOLUTE_HE {Logical}
  	Whether or not to calculate solute-He RDFs(if solute is present)
  	This keyword cannot be repeated and it expects precisely one logical.
  	The lone keyword behaves as a switch to .TRUE.
  	Default value: .TRUE.