Section GGA_X_HJS_PBE

• HJS screened exchange PBE version

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

• 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_PBE {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: 1.59941000E-002

  _A1
  	_A1 {Real}
  	a1
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 8.52995000E-002

  _A2
  	_A2 {Real}
  	a2
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: -1.60368000E-001

  _A3
  	_A3 {Real}
  	a3
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 1.52645000E-001

  _A4
  	_A4 {Real}
  	a4
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: -9.71263000E-002

  _A5
  	_A5 {Real}
  	a5
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 4.22061000E-002

  _B0
  	_B0 {Real}
  	b0
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 5.33319000E+000

  _B1
  	_B1 {Real}
  	b1
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: -1.24780000E+001

  _B2
  	_B2 {Real}
  	b2
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 1.10988000E+001

  _B3
  	_B3 {Real}
  	b3
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: -5.11013000E+000

  _B4
  	_B4 {Real}
  	b4
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 1.71468000E+000

  _B5
  	_B5 {Real}
  	b5
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: -6.10380000E-001

  _B6
  	_B6 {Real}
  	b6
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 3.07555000E-001

  _B7
  	_B7 {Real}
  	b7
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: -7.70547000E-002

  _B8
  	_B8 {Real}
  	b8
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 3.34840000E-002

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