Section GGA_K_LGAP

• LGAP by Constantin et al

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

• This section cannot be repeated.

• Subsections

  • none

• Keywords

  • SECTION_PARAMETERS
  • SCALE
  • _KAPPA
  • _MU1
  • _MU2
  • _MU3

• Keyword descriptions

  SECTION_PARAMETERS
  	&GGA_K_LGAP {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

  _KAPPA
  	_KAPPA {Real}
  	kappa parameter
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 8.00000000E-001

  _MU1
  	_MU1 {Real}
  	mu1 parameter
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 1.63750000E-002

  _MU2
  	_MU2 {Real}
  	mu2 parameter
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 2.31734070E-001

  _MU3
  	_MU3 {Real}
  	mu3 parameter
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 3.65365165E-002