Section GGA_K_PBE3

• Three parameter PBE-like expansion

• Section path: CP2K_INPUT / ATOM / METHOD / XC / XC_FUNCTIONAL / GGA_K_PBE3

• This section cannot be repeated.

• Subsections

  • none

• Keywords

  • SECTION_PARAMETERS
  • SCALE
  • _A
  • _C1
  • _C2
  • _C3

• Keyword descriptions

  SECTION_PARAMETERS
  	&GGA_K_PBE3 {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}
  	a
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 4.13550000E+000

  _C1
  	_C1 {Real}
  	c1
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: -3.74250000E+000

  _C2
  	_C2 {Real}
  	c2
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 5.02580000E+001

  _C3
  	_C3 {Real}
  	c3
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 0.00000000E+000