Section GGA_X_HJS_B97X

• HJS screened exchange B97x version  [Edit on GitHub]

• Section path: CP2K_INPUT / ATOM / METHOD / XC / XC_FUNCTIONAL / GGA_X_HJS_B97X

• This section cannot be repeated.

• Subsections

  • none

• Keywords

  • SECTION_PARAMETERS
  • SCALE
  • _A0
  • _A1
  • _A2
  • _A3
  • _A4
  • _A5
  • _B0
  • _B1
  • _B2
  • _B3
  • _B4
  • _B5
  • _B6
  • _B7
  • _B8
  • _OMEGA

• Keyword descriptions

  SECTION_PARAMETERS
  	&GGA_X_HJS_B97X {Logical}
  	Activates the functional.  [Edit on GitHub]
  	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  [Edit on GitHub]
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 1.00000000E+000

  _A0
  	_A0 {Real}
  	a0  [Edit on GitHub]
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 2.73550000E-003

  _A1
  	_A1 {Real}
  	a1  [Edit on GitHub]
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 4.32970000E-002

  _A2
  	_A2 {Real}
  	a2  [Edit on GitHub]
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: -6.69379000E-002

  _A3
  	_A3 {Real}
  	a3  [Edit on GitHub]
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 6.99060000E-002

  _A4
  	_A4 {Real}
  	a4  [Edit on GitHub]
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: -4.74635000E-002

  _A5
  	_A5 {Real}
  	a5  [Edit on GitHub]
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 1.53092000E-002

  _B0
  	_B0 {Real}
  	b0  [Edit on GitHub]
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 1.58279000E+001

  _B1
  	_B1 {Real}
  	b1  [Edit on GitHub]
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: -2.68145000E+001

  _B2
  	_B2 {Real}
  	b2  [Edit on GitHub]
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 1.78127000E+001

  _B3
  	_B3 {Real}
  	b3  [Edit on GitHub]
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: -5.98246000E+000

  _B4
  	_B4 {Real}
  	b4  [Edit on GitHub]
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 1.25408000E+000

  _B5
  	_B5 {Real}
  	b5  [Edit on GitHub]
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: -2.70783000E-001

  _B6
  	_B6 {Real}
  	b6  [Edit on GitHub]
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 9.19536000E-002

  _B7
  	_B7 {Real}
  	b7  [Edit on GitHub]
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: -1.40960000E-002

  _B8
  	_B8 {Real}
  	b8  [Edit on GitHub]
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 4.54660000E-003

  _OMEGA
  	_OMEGA {Real}
  	omega  [Edit on GitHub]
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 1.10000000E-001