Section MGGA_X_KTBM_GAP

• KTBM learned exchange - GAP

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

• This section cannot be repeated.

• Subsections

  • none

• Keywords

  • SECTION_PARAMETERS
  • A2B
  • A2T
  • AB
  • AT
  • B2B
  • B2T
  • BB
  • BT
  • CB
  • CT
  • SCALE
  • XB
  • XT

• Keyword descriptions

  SECTION_PARAMETERS
  	&MGGA_X_KTBM_GAP {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.

  A2B
  	A2B {Real}
  	a2b
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 7.94789364E-002

  A2T
  	A2T {Real}
  	a2t
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: -6.72327252E-003

  AB
  	AB {Real}
  	ab
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: -1.74592010E-001

  AT
  	AT {Real}
  	at
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 4.35402079E-001

  B2B
  	B2B {Real}
  	b2b
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 2.99445235E-001

  B2T
  	B2T {Real}
  	b2t
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 1.28517524E-001

  BB
  	BB {Real}
  	bb
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 1.59921573E-001

  BT
  	BT {Real}
  	bt
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 1.81093570E-001

  CB
  	CB {Real}
  	cb
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 9.72386657E-001

  CT
  	CT {Real}
  	ct
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 1.12214237E+000

  SCALE
  	SCALE {Real}
  	Scales this functional
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 1.00000000E+000

  XB
  	XB {Real}
  	xb
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 1.24027244E-002

  XT
  	XT {Real}
  	xt
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 1.11067441E-001