Section PBE

• Uses the PBE functional

• Section path: CP2K_INPUT / FORCE_EVAL / DFT / TDDFPT / XC / XC_FUNCTIONAL / PBE

• This section cannot be repeated and cannot be optional.

• This section cites the following references: [Perdew1996] [Perdew2008] [Zhang1998]

• Subsections

  • none

• Keywords

  • SECTION_PARAMETERS
  • PARAMETRIZATION
  • SCALE_C
  • SCALE_X

• 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.

  PARAMETRIZATION
  	switches between the different parametrizations of the functional
  	This optional keyword cannot be repeated and it expects precisely one keyword.
  	Default value: ORIG
  	List of valid keywords: ORIG original PBE PBESOL PBE for solids and surfaces (PBEsol) REVPBE revised PBE (revPBE)

  SCALE_C
  	scales the correlation part of the functional
  	This optional keyword cannot be repeated and it expects precisely one real.
  	Default value: 1.00000000E+00

  SCALE_X
  	scales the exchange part of the functional
  	This optional keyword cannot be repeated and it expects precisely one real.
  	Default value: 1.00000000E+00