Section XWPBE

• Uses the short range PBE functional

• Section path: CP2K_INPUT / ATOM / METHOD / XC / XC_FUNCTIONAL / XWPBE

• This section cannot be repeated.

• This section cites the following reference: [Heyd2004]

• Subsections

  • none

• Keywords

  • SECTION_PARAMETERS
  • OMEGA
  • SCALE_X
  • SCALE_X0

• Keyword descriptions

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

  OMEGA
  	OMEGA {Real}
  	screening parameter
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 1.00000000E+00

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

  SCALE_X0
  	SCALE_X0 {Real}
  	scales the exchange part of the original hole PBE-functional
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 0.00000000E+00