Section HYB_GGA_X_N12_SX

• Minnesota N12-SX exchange functional  [Edit on GitHub]

• Section path: CP2K_INPUT / FORCE_EVAL / DFT / KG_METHOD / XC / XC_FUNCTIONAL / HYB_GGA_X_N12_SX

• This section cannot be repeated.

• Subsections

  • none

• Keywords

  • SECTION_PARAMETERS
  • SCALE
  • _BETA
  • _CC00
  • _CC01
  • _CC02
  • _CC03
  • _CC10
  • _CC11
  • _CC12
  • _CC13
  • _CC20
  • _CC21
  • _CC22
  • _CC23
  • _CC30
  • _CC31
  • _CC32
  • _CC33
  • _OMEGA

• Keyword descriptions

  SECTION_PARAMETERS
  	&HYB_GGA_X_N12_SX {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

  _BETA
  	_BETA {Real}
  	Fraction of short-range exact exchange  [Edit on GitHub]
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 2.50000000E-001

  _CC00
  	_CC00 {Real}
  	_CC00  [Edit on GitHub]
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 6.81116000E-001

  _CC01
  	_CC01 {Real}
  	_CC01  [Edit on GitHub]
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 1.88858000E+000

  _CC02
  	_CC02 {Real}
  	_CC02  [Edit on GitHub]
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 1.78590000E+000

  _CC03
  	_CC03 {Real}
  	_CC03  [Edit on GitHub]
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 8.79456000E-001

  _CC10
  	_CC10 {Real}
  	_CC10  [Edit on GitHub]
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: -8.12270000E-002

  _CC11
  	_CC11 {Real}
  	_CC11  [Edit on GitHub]
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: -1.08723000E+000

  _CC12
  	_CC12 {Real}
  	_CC12  [Edit on GitHub]
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: -4.18682000E+000

  _CC13
  	_CC13 {Real}
  	_CC13  [Edit on GitHub]
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: -3.00000000E+001

  _CC20
  	_CC20 {Real}
  	_CC20  [Edit on GitHub]
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 5.36236000E-001

  _CC21
  	_CC21 {Real}
  	_CC21  [Edit on GitHub]
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: -5.45678000E+000

  _CC22
  	_CC22 {Real}
  	_CC22  [Edit on GitHub]
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 3.00000000E+001

  _CC23
  	_CC23 {Real}
  	_CC23  [Edit on GitHub]
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 5.51105000E+001

  _CC30
  	_CC30 {Real}
  	_CC30  [Edit on GitHub]
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: -7.09913000E-001

  _CC31
  	_CC31 {Real}
  	_CC31  [Edit on GitHub]
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 1.30001000E+001

  _CC32
  	_CC32 {Real}
  	_CC32  [Edit on GitHub]
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: -7.24877000E+001

  _CC33
  	_CC33 {Real}
  	_CC33  [Edit on GitHub]
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 2.98363000E+001

  _OMEGA
  	_OMEGA {Real}
  	Range separation parameter  [Edit on GitHub]
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 1.10000000E-001