Section HYB_MGGA_X_M11

• Minnesota M11 hybrid exchange functional

• Section path: CP2K_INPUT / FORCE_EVAL / DFT / XC / XC_FUNCTIONAL / HYB_MGGA_X_M11

• This section cannot be repeated.

• Subsections

  • none

• Keywords

  • SECTION_PARAMETERS
  • SCALE
  • _A0
  • _A1
  • _A10
  • _A11
  • _A2
  • _A3
  • _A4
  • _A5
  • _A6
  • _A7
  • _A8
  • _A9
  • _ALPHA
  • _B0
  • _B1
  • _B10
  • _B11
  • _B2
  • _B3
  • _B4
  • _B5
  • _B6
  • _B7
  • _B8
  • _B9
  • _BETA
  • _OMEGA

• Keyword descriptions

  SECTION_PARAMETERS
  	&HYB_MGGA_X_M11 {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 parameter
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: -1.83999000E-001

  _A1
  	_A1 {Real}
  	a1 parameter
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: -1.39046703E+001

  _A10
  	_A10 {Real}
  	a10 parameter
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: -1.34714184E+001

  _A11
  	_A11 {Real}
  	a11 parameter
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 0.00000000E+000

  _A2
  	_A2 {Real}
  	a2 parameter
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 1.18206837E+001

  _A3
  	_A3 {Real}
  	a3 parameter
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 3.10098465E+001

  _A4
  	_A4 {Real}
  	a4 parameter
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: -5.19625696E+001

  _A5
  	_A5 {Real}
  	a5 parameter
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 1.55750312E+001

  _A6
  	_A6 {Real}
  	a6 parameter
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: -6.94775730E+000

  _A7
  	_A7 {Real}
  	a7 parameter
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: -1.58465014E+002

  _A8
  	_A8 {Real}
  	a8 parameter
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: -1.48447565E+000

  _A9
  	_A9 {Real}
  	a9 parameter
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 5.51042124E+001

  _ALPHA
  	_ALPHA {Real}
  	exact exchange
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 1.00000000E+000

  _B0
  	_B0 {Real}
  	b0 parameter
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 7.55999000E-001

  _B1
  	_B1 {Real}
  	b1 parameter
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 1.37137944E+001

  _B10
  	_B10 {Real}
  	b10 parameter
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 7.47980859E+000

  _B11
  	_B11 {Real}
  	b11 parameter
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 0.00000000E+000

  _B2
  	_B2 {Real}
  	b2 parameter
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: -1.27998304E+001

  _B3
  	_B3 {Real}
  	b3 parameter
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: -2.93428814E+001

  _B4
  	_B4 {Real}
  	b4 parameter
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 5.91075674E+001

  _B5
  	_B5 {Real}
  	b5 parameter
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: -2.27604866E+001

  _B6
  	_B6 {Real}
  	b6 parameter
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: -1.02769340E+001

  _B7
  	_B7 {Real}
  	b7 parameter
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 1.64752731E+002

  _B8
  	_B8 {Real}
  	b8 parameter
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 1.85349258E+001

  _B9
  	_B9 {Real}
  	b9 parameter
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: -5.56825639E+001

  _BETA
  	_BETA {Real}
  	short-range exchange
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: -5.72000000E-001

  _OMEGA
  	_OMEGA {Real}
  	range-separation
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 2.50000000E-001