Section MGGA_X_KTBM_6

• KTBM learned exchange - 6

• Section path: CP2K_INPUT / ATOM / METHOD / XC / XC_FUNCTIONAL / MGGA_X_KTBM_6

• 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_6 {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: -3.89970503E-003

  A2T
  	A2T {Real}
  	a2t
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 1.85165842E-002

  AB
  	AB {Real}
  	ab
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: -9.16232751E-002

  AT
  	AT {Real}
  	at
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 2.83119570E-001

  B2B
  	B2B {Real}
  	b2b
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 2.23614291E-001

  B2T
  	B2T {Real}
  	b2t
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 2.46430912E-001

  BB
  	BB {Real}
  	bb
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 2.35050675E-001

  BT
  	BT {Real}
  	bt
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 9.41998642E-002

  CB
  	CB {Real}
  	cb
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 8.92764829E-001

  CT
  	CT {Real}
  	ct
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 1.01079902E+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: 3.49156581E-002

  XT
  	XT {Real}
  	xt
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 5.32222075E-002