Section HYB_GGA_XC_LRC_WPBEH

• Long-range corrected short-range hybrid PBE (LRC-wPBEh) by Rohrdanz, Martins and Herbert

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

• This section cannot be repeated.

• Subsections

  • none

• Keywords

  • SECTION_PARAMETERS
  • SCALE
  • _ALPHA
  • _BETA
  • _OMEGA

• Keyword descriptions

  SECTION_PARAMETERS
  	&HYB_GGA_XC_LRC_WPBEH {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.

  SCALE
  	SCALE {Real}
  	Scales this functional
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 1.00000000E+000

  _ALPHA
  	_ALPHA {Real}
  	Fraction of Hartree-Fock exchange
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 1.00000000E+000

  _BETA
  	_BETA {Real}
  	Fraction of short-range exact exchange
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: -8.00000000E-001

  _OMEGA
  	_OMEGA {Real}
  	Range separation constant
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 2.00000000E-001