Section MGGA_X_GDME_KOS

• Generalized density-matrix with a=0.00638

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

• This section cannot be repeated.

• Subsections

  • none

• Keywords

  • SECTION_PARAMETERS
  • SCALE
  • _A
  • _AA
  • _BB

• Keyword descriptions

  SECTION_PARAMETERS
  	&MGGA_X_GDME_KOS {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}
  	center of the s expansion of density-matrix
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 6.38000000E-003

  _AA
  	_AA {Real}
  	parameter of the first (LDA) term
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 7.06858347E+000

  _BB
  	_BB {Real}
  	parameter of the correction term
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 9.16297857E+000