Section GGA_C_SOGGA11

• Second-order generalized gradient approximation 2011

• Section path: CP2K_INPUT / FORCE_EVAL / DFT / XC / XC_FUNCTIONAL / GGA_C_SOGGA11

• This section cannot be repeated.

• Subsections

  • none

• Keywords

  • SECTION_PARAMETERS
  • SCALE
  • _A0
  • _A1
  • _A2
  • _A3
  • _A4
  • _A5
  • _B0
  • _B1
  • _B2
  • _B3
  • _B4
  • _B5

• Keyword descriptions

  SECTION_PARAMETERS
  	&GGA_C_SOGGA11 {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

  _A0
  	_A0 {Real}
  	a0
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 5.00000000E-001

  _A1
  	_A1 {Real}
  	a1
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: -4.62334000E+000

  _A2
  	_A2 {Real}
  	a2
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 8.00410000E+000

  _A3
  	_A3 {Real}
  	a3
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: -1.30226000E+002

  _A4
  	_A4 {Real}
  	a4
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 3.82685000E+001

  _A5
  	_A5 {Real}
  	a5
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 6.95599000E+001

  _B0
  	_B0 {Real}
  	b0
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 5.00000000E-001

  _B1
  	_B1 {Real}
  	b1
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 3.62334000E+000

  _B2
  	_B2 {Real}
  	b2
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 9.36393000E+000

  _B3
  	_B3 {Real}
  	b3
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 3.45114000E+001

  _B4
  	_B4 {Real}
  	b4
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: -1.85684000E+001

  _B5
  	_B5 {Real}
  	b5
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: -1.65190000E-001