Section HYB_MGGA_X_M06

• Minnesota M06 hybrid exchange functional

• Section path: CP2K_INPUT / FORCE_EVAL / DFT / XC / XC_FUNCTIONAL / HYB_MGGA_X_M06

• This section cannot be repeated.

• Subsections

  • none

• Keywords

  • SECTION_PARAMETERS
  • SCALE
  • _A0
  • _A1
  • _A10
  • _A11
  • _A2
  • _A3
  • _A4
  • _A5
  • _A6
  • _A7
  • _A8
  • _A9
  • _D0
  • _D1
  • _D2
  • _D3
  • _D4
  • _D5
  • _X

• Keyword descriptions

  SECTION_PARAMETERS
  	&HYB_MGGA_X_M06 {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: 5.87794300E-001

  _A1
  	_A1 {Real}
  	_a1 parameter
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: -1.37177600E-001

  _A10
  	_A10 {Real}
  	_a10 parameter
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 2.04374700E+001

  _A11
  	_A11 {Real}
  	_a11 parameter
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 1.25650400E+001

  _A2
  	_A2 {Real}
  	_a2 parameter
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 2.68236700E-001

  _A3
  	_A3 {Real}
  	_a3 parameter
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: -2.51589800E+000

  _A4
  	_A4 {Real}
  	_a4 parameter
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: -2.97889200E+000

  _A5
  	_A5 {Real}
  	_a5 parameter
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 8.71067900E+000

  _A6
  	_A6 {Real}
  	_a6 parameter
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 1.68819500E+001

  _A7
  	_A7 {Real}
  	_a7 parameter
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: -4.48972400E+000

  _A8
  	_A8 {Real}
  	_a8 parameter
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: -3.29998300E+001

  _A9
  	_A9 {Real}
  	_a9 parameter
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: -1.44905000E+001

  _D0
  	_D0 {Real}
  	_d0 parameter
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 1.42205700E-001

  _D1
  	_D1 {Real}
  	_d1 parameter
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 7.37031900E-004

  _D2
  	_D2 {Real}
  	_d2 parameter
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: -1.60137300E-002

  _D3
  	_D3 {Real}
  	_d3 parameter
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 0.00000000E+000

  _D4
  	_D4 {Real}
  	_d4 parameter
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 0.00000000E+000

  _D5
  	_D5 {Real}
  	_d5 parameter
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 0.00000000E+000

  _X
  	_X {Real}
  	Fraction of exact exchange
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 2.70000000E-001