Section HYB_MGGA_X_M06_SX

• Minnesota M06-SX short-range hybrid exchange functional

• Section path: CP2K_INPUT / ATOM / METHOD / XC / XC_FUNCTIONAL / HYB_MGGA_X_M06_SX

• This section cannot be repeated.

• Subsections

  • none

• Keywords

  • SECTION_PARAMETERS
  • B3
  • SCALE
  • _A0
  • _A1
  • _A10
  • _A11
  • _A2
  • _A3
  • _A4
  • _A5
  • _A6
  • _A7
  • _A8
  • _A9
  • _B0
  • _B1
  • _B2
  • _B4
  • _B5
  • _BETA
  • _OMEGA

• Keyword descriptions

  SECTION_PARAMETERS
  	&HYB_MGGA_X_M06_SX {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.

  B3
  	B3 {Real}
  	_d3 parameter
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 0.00000000E+000

  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 parameter
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 9.96501680E-001

  _A1
  	_A1 {Real}
  	_a1 parameter
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 3.01264934E-002

  _A10
  	_A10 {Real}
  	_a10 parameter
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 5.19400019E-001

  _A11
  	_A11 {Real}
  	_a11 parameter
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: -9.65261553E-001

  _A2
  	_A2 {Real}
  	_a2 parameter
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: -1.03366758E-001

  _A3
  	_A3 {Real}
  	_a3 parameter
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: -1.55653063E-001

  _A4
  	_A4 {Real}
  	_a4 parameter
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 7.95768051E-003

  _A5
  	_A5 {Real}
  	_a5 parameter
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 8.71986277E-002

  _A6
  	_A6 {Real}
  	_a6 parameter
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: -8.16152626E-001

  _A7
  	_A7 {Real}
  	_a7 parameter
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 6.72773007E-001

  _A8
  	_A8 {Real}
  	_a8 parameter
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 5.21127186E-001

  _A9
  	_A9 {Real}
  	_a9 parameter
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 3.99466945E-001

  _B0
  	_B0 {Real}
  	_d0 parameter
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: -3.47792307E-001

  _B1
  	_B1 {Real}
  	_d1 parameter
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 0.00000000E+000

  _B2
  	_B2 {Real}
  	_d2 parameter
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: -2.70366787E-003

  _B4
  	_B4 {Real}
  	_d4 parameter
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 0.00000000E+000

  _B5
  	_B5 {Real}
  	_d5 parameter
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 0.00000000E+000

  _BETA
  	_BETA {Real}
  	Fraction of short-range exchange
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 3.35000000E-001

  _OMEGA
  	_OMEGA {Real}
  	Range separation parameter
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 1.00000000E-001