Section MGGA_C_M05

• Minnesota M05 correlation functional  [Edit on GitHub]

• Section path: CP2K_INPUT / FORCE_EVAL / PROPERTIES / LINRES / EPR / PRINT / G_TENSOR / XC / XC_FUNCTIONAL / MGGA_C_M05

• This section cannot be repeated.

• Subsections

  • none

• Keywords

  • SECTION_PARAMETERS
  • SCALE
  • _CAB0
  • _CAB1
  • _CAB2
  • _CAB3
  • _CAB4
  • _CSS0
  • _CSS1
  • _CSS2
  • _CSS3
  • _CSS4
  • _FERMI_D_CNST
  • _GAMMA_AB
  • _GAMMA_SS

• Keyword descriptions

  SECTION_PARAMETERS
  	&MGGA_C_M05 {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

  _CAB0
  	_CAB0 {Real}
  	cab0  [Edit on GitHub]
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 1.00000000E+000

  _CAB1
  	_CAB1 {Real}
  	cab1  [Edit on GitHub]
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 3.78569000E+000

  _CAB2
  	_CAB2 {Real}
  	cab2  [Edit on GitHub]
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: -1.41526100E+001

  _CAB3
  	_CAB3 {Real}
  	cab3  [Edit on GitHub]
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: -7.46589000E+000

  _CAB4
  	_CAB4 {Real}
  	cab4  [Edit on GitHub]
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 1.79449100E+001

  _CSS0
  	_CSS0 {Real}
  	css0  [Edit on GitHub]
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 1.00000000E+000

  _CSS1
  	_CSS1 {Real}
  	css1  [Edit on GitHub]
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 3.77344000E+000

  _CSS2
  	_CSS2 {Real}
  	css2  [Edit on GitHub]
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: -2.60446300E+001

  _CSS3
  	_CSS3 {Real}
  	css3  [Edit on GitHub]
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 3.06991300E+001

  _CSS4
  	_CSS4 {Real}
  	css4  [Edit on GitHub]
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: -9.22695000E+000

  _FERMI_D_CNST
  	_FERMI_D_CNST {Real}
  	Constant for the correction term similar to 10.1063/1.2800011  [Edit on GitHub]
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 1.00000000E-010

  _GAMMA_AB
  	_GAMMA_AB {Real}
  	gamma_ab  [Edit on GitHub]
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 3.10000000E-003

  _GAMMA_SS
  	_GAMMA_SS {Real}
  	gamma_ss  [Edit on GitHub]
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 6.00000000E-002