Section LIBXC

• Uses functionals from LIBXC, see also http://www.tddft.org/programs/octopus/wiki/index.php/Libxc

• Section path: CP2K_INPUT / FORCE_EVAL / DFT / XC / XC_FUNCTIONAL / LIBXC

• This section cannot be repeated and cannot be optional.

• This section cites the following reference: [Marques2012]

• Subsections

  • none

• Keywords

  • SECTION_PARAMETERS
  • FUNCTIONAL
  • PARAMETERS
  • SCALE

• Keyword descriptions

  SECTION_PARAMETERS
  	activates the functional
  	This optional keyword cannot be repeated and it expects precisely one logical.
  	The lone keyword behaves as a switch to .TRUE.
  	Default value: .FALSE.

  FUNCTIONAL
  	FUNCTIONAL XC_GGA_X_PBE XC_GGA_C_PBE
  	names of the functionals, see also http://www.tddft.org/programs/octopus/wiki/index.php/Libxc:manual .The precise list of available functionals depends on the version of libxc interfaced (currently 2.0.1).
  	This required keyword cannot be repeated and it expects a list of words.

  PARAMETERS
  	parameters of the functionals
  	This optional keyword cannot be repeated and it expects a list of reals.
  	Default value: 1.00000000E+20

  SCALE
  	SCALE 1.0 1.0
  	scaling factors of the functionals
  	This optional keyword cannot be repeated and it expects a list of reals.
  	Default value: 1.00000000E+00