Section LDA_C_PW_RPA

• Perdew & Wang (fit to the RPA energy)

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

• This section cannot be repeated.

• Subsections

  • none

• Keywords

  • SECTION_PARAMETERS
  • SCALE
  • _ALPHA1[0]
  • _ALPHA1[1]
  • _ALPHA1[2]
  • _A[0]
  • _A[1]
  • _A[2]
  • _BETA1[0]
  • _BETA1[1]
  • _BETA1[2]
  • _BETA2[0]
  • _BETA2[1]
  • _BETA2[2]
  • _BETA3[0]
  • _BETA3[1]
  • _BETA3[2]
  • _BETA4[0]
  • _BETA4[1]
  • _BETA4[2]
  • _FZ20
  • _PP[0]
  • _PP[1]
  • _PP[2]

• Keyword descriptions

  SECTION_PARAMETERS
  	&LDA_C_PW_RPA {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

  _ALPHA1[0]
  	_ALPHA1[0] {Real}
  	alpha10
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 8.24770000E-002

  _ALPHA1[1]
  	_ALPHA1[1] {Real}
  	alpha11
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 3.53740000E-002

  _ALPHA1[2]
  	_ALPHA1[2] {Real}
  	alpha12
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 2.88290000E-002

  _A[0]
  	_A[0] {Real}
  	a0
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 3.10910000E-002

  _A[1]
  	_A[1] {Real}
  	a1
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 1.55450000E-002

  _A[2]
  	_A[2] {Real}
  	a2
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 1.68870000E-002

  _BETA1[0]
  	_BETA1[0] {Real}
  	beta10
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 5.14860000E+000

  _BETA1[1]
  	_BETA1[1] {Real}
  	beta11
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 6.48690000E+000

  _BETA1[2]
  	_BETA1[2] {Real}
  	beta12
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 1.03570000E+001

  _BETA2[0]
  	_BETA2[0] {Real}
  	beta20
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 1.64830000E+000

  _BETA2[1]
  	_BETA2[1] {Real}
  	beta21
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 1.30830000E+000

  _BETA2[2]
  	_BETA2[2] {Real}
  	beta22
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 3.62310000E+000

  _BETA3[0]
  	_BETA3[0] {Real}
  	beta30
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 2.36470000E-001

  _BETA3[1]
  	_BETA3[1] {Real}
  	beta31
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 1.51800000E-001

  _BETA3[2]
  	_BETA3[2] {Real}
  	beta32
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 4.79900000E-001

  _BETA4[0]
  	_BETA4[0] {Real}
  	beta40
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 2.06140000E-001

  _BETA4[1]
  	_BETA4[1] {Real}
  	beta41
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 8.23490000E-002

  _BETA4[2]
  	_BETA4[2] {Real}
  	beta42
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 1.22790000E-001

  _FZ20
  	_FZ20 {Real}
  	fz20
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 1.70992100E+000

  _PP[0]
  	_PP[0] {Real}
  	pp0
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 7.50000000E-001

  _PP[1]
  	_PP[1] {Real}
  	pp1
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 7.50000000E-001

  _PP[2]
  	_PP[2] {Real}
  	pp2
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 1.00000000E+000