Section HYB_MGGA_XC_BR3P86

• BR3P86 hybrid meta-GGA from Neumann and Handy

• Section path: CP2K_INPUT / FORCE_EVAL / DFT / XC / XC_FUNCTIONAL / HYB_MGGA_XC_BR3P86

• This section cannot be repeated.

• Subsections

  • none

• Keywords

  • SECTION_PARAMETERS
  • SCALE
  • _A
  • _B
  • _C

• Keyword descriptions

  SECTION_PARAMETERS
  	&HYB_MGGA_XC_BR3P86 {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

  _A
  	_A {Real}
  	Fraction of exact exchange
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 2.20000000E-001

  _B
  	_B {Real}
  	Fraction of BR exchange
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 6.70000000E-001

  _C
  	_C {Real}
  	Weight for P86 correlation
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 8.50000000E-001