Section MGGA_K_RDA

• Reduced derivative approximation by Karasiev et al

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

• This section cannot be repeated.

• Subsections

  • none

• Keywords

  • SECTION_PARAMETERS
  • SCALE
  • _A
  • _A0
  • _A1
  • _A2
  • _A3
  • _B
  • _BETA1
  • _BETA2
  • _BETA3
  • _C

• Keyword descriptions

  SECTION_PARAMETERS
  	&MGGA_K_RDA {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: 4.64766200E+001

  _A0
  	_A0 {Real}
  	A0
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 5.06160000E-001

  _A1
  	_A1 {Real}
  	A1
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 3.04121000E+000

  _A2
  	_A2 {Real}
  	A2
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: -3.45670000E-001

  _A3
  	_A3 {Real}
  	A3
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: -1.89738000E+000

  _B
  	_B {Real}
  	b
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 1.88065800E+001

  _BETA1
  	_BETA1 {Real}
  	beta1
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 1.29691000E+000

  _BETA2
  	_BETA2 {Real}
  	beta2
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 5.61840000E-001

  _BETA3
  	_BETA3 {Real}
  	beta3
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 2.19440000E-001

  _C
  	_C {Real}
  	c
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: -9.03460000E-001