Section GGA_XC_TH1

• Tozer and Handy v. 1

• Section path: CP2K_INPUT / ATOM / METHOD / XC / XC_FUNCTIONAL / GGA_XC_TH1

• This section cannot be repeated.

• Subsections

  • none

• Keywords

  • SECTION_PARAMETERS
  • SCALE
  • _W[0]
  • _W[10]
  • _W[11]
  • _W[12]
  • _W[13]
  • _W[14]
  • _W[15]
  • _W[16]
  • _W[17]
  • _W[18]
  • _W[19]
  • _W[1]
  • _W[20]
  • _W[2]
  • _W[3]
  • _W[4]
  • _W[5]
  • _W[6]
  • _W[7]
  • _W[8]
  • _W[9]

• Keyword descriptions

  SECTION_PARAMETERS
  	&GGA_XC_TH1 {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

  _W[0]
  	_W[0] {Real}
  	w[0]
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: -7.28255000E-001

  _W[10]
  	_W[10] {Real}
  	w[10]
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 4.61795000E-002

  _W[11]
  	_W[11] {Real}
  	w[11]
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: -7.57191000E-003

  _W[12]
  	_W[12] {Real}
  	w[12]
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: -2.42717000E-003

  _W[13]
  	_W[13] {Real}
  	w[13]
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 4.28140000E-002

  _W[14]
  	_W[14] {Real}
  	w[14]
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: -7.44891000E-002

  _W[15]
  	_W[15] {Real}
  	w[15]
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 3.86577000E-002

  _W[16]
  	_W[16] {Real}
  	w[16]
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: -3.52519000E-001

  _W[17]
  	_W[17] {Real}
  	w[17]
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 2.19805000E+000

  _W[18]
  	_W[18] {Real}
  	w[18]
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: -3.72927000E+000

  _W[19]
  	_W[19] {Real}
  	w[19]
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 1.94441000E+000

  _W[1]
  	_W[1] {Real}
  	w[1]
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 3.31699000E-001

  _W[20]
  	_W[20] {Real}
  	w[20]
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 1.28877000E-001

  _W[2]
  	_W[2] {Real}
  	w[2]
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: -1.02946000E+000

  _W[3]
  	_W[3] {Real}
  	w[3]
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 2.35703000E-001

  _W[4]
  	_W[4] {Real}
  	w[4]
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: -8.76221000E-002

  _W[5]
  	_W[5] {Real}
  	w[5]
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 1.40854000E-001

  _W[6]
  	_W[6] {Real}
  	w[6]
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 3.36982000E-002

  _W[7]
  	_W[7] {Real}
  	w[7]
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: -3.53615000E-002

  _W[8]
  	_W[8] {Real}
  	w[8]
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 4.97930000E-003

  _W[9]
  	_W[9] {Real}
  	w[9]
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: -6.45900000E-002