Section RDF

• Radial distribution settings

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

• This section cannot be repeated.

• Subsections

  • none

• Keywords

  • SECTION_PARAMETERS
  • CENTERS_FILE_NAME
  • MAXR
  • NBIN

• 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.

  CENTERS_FILE_NAME
  	CENTERS_FILE_NAME {String}
  	Calculate RDFs wrt centers read from a file
  	This keyword cannot be repeated and it expects precisely one string.
  	Default value: centers.xyz

  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