Section GGA_X_N12

• Minnesota N12 exchange functional  [Edit on GitHub]

• Section path: CP2K_INPUT / FORCE_EVAL / DFT / XAS_TDP / KERNEL / XC_FUNCTIONAL / GGA_X_N12

• This section cannot be repeated.

• Subsections

  • none

• Keywords

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

• Keyword descriptions

  SECTION_PARAMETERS
  	&GGA_X_N12 {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

  _CC00
  	_CC00 {Real}
  	_CC00  [Edit on GitHub]
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 1.00000000E+000

  _CC01
  	_CC01 {Real}
  	_CC01  [Edit on GitHub]
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 5.07880000E-001

  _CC02
  	_CC02 {Real}
  	_CC02  [Edit on GitHub]
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 1.68233000E-001

  _CC03
  	_CC03 {Real}
  	_CC03  [Edit on GitHub]
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 1.28887000E-001

  _CC10
  	_CC10 {Real}
  	_CC10  [Edit on GitHub]
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 8.60211000E-002

  _CC11
  	_CC11 {Real}
  	_CC11  [Edit on GitHub]
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: -1.71008000E+001

  _CC12
  	_CC12 {Real}
  	_CC12  [Edit on GitHub]
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 6.50814000E+001

  _CC13
  	_CC13 {Real}
  	_CC13  [Edit on GitHub]
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: -7.01726000E+001

  _CC20
  	_CC20 {Real}
  	_CC20  [Edit on GitHub]
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: -3.90755000E-001

  _CC21
  	_CC21 {Real}
  	_CC21  [Edit on GitHub]
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 5.13392000E+001

  _CC22
  	_CC22 {Real}
  	_CC22  [Edit on GitHub]
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: -1.66220000E+002

  _CC23
  	_CC23 {Real}
  	_CC23  [Edit on GitHub]
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 1.42738000E+002

  _CC30
  	_CC30 {Real}
  	_CC30  [Edit on GitHub]
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 4.03611000E-001

  _CC31
  	_CC31 {Real}
  	_CC31  [Edit on GitHub]
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: -3.44631000E+001

  _CC32
  	_CC32 {Real}
  	_CC32  [Edit on GitHub]
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 7.61661000E+001

  _CC33
  	_CC33 {Real}
  	_CC33  [Edit on GitHub]
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: -2.41834000E+000