Section MGGA_X_SCANL

• Deorbitalized SCAN (SCAN-L) exchange

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

• This section cannot be repeated.

• Subsections

  • none

• Keywords

  • SECTION_PARAMETERS
  • SCALE
  • _A
  • _B
  • _C1
  • _C2
  • _D
  • _K1

• Keyword descriptions

  SECTION_PARAMETERS
  	&MGGA_X_SCANL {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.

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

  _A
  	_A {Real}
  	pc07 a
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 1.78472000E+000

  _B
  	_B {Real}
  	pc07 b
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 2.58304000E-001

  _C1
  	_C1 {Real}
  	scan c1
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 6.67000000E-001

  _C2
  	_C2 {Real}
  	scan c2
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 8.00000000E-001

  _D
  	_D {Real}
  	scan d
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 1.24000000E+000

  _K1
  	_K1 {Real}
  	scan k1
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 6.50000000E-002