Section MGGA_X_R2SCAN

• Re-regularized SCAN exchange by Furness et al

• Section path: CP2K_INPUT / FORCE_EVAL / DFT / TDDFPT / XC / XC_FUNCTIONAL / MGGA_X_R2SCAN

• This section cannot be repeated.

• Subsections

  • none

• Keywords

  • SECTION_PARAMETERS
  • SCALE
  • _C1
  • _C2
  • _D
  • _DP2
  • _ETA
  • _K1

• Keyword descriptions

  SECTION_PARAMETERS
  	&MGGA_X_R2SCAN {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

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

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

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

  _DP2
  	_DP2 {Real}
  	dp2 parameter
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 3.61000000E-001

  _ETA
  	_ETA {Real}
  	eta parameter
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 1.00000000E-003

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