Section GGA_X_NCAP

• Nearly correct asymptotic potential

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

• This section cannot be repeated.

• Subsections

  • none

• Keywords

  • SECTION_PARAMETERS
  • SCALE
  • _ALPHA
  • _BETA
  • _MU
  • _ZETA

• Keyword descriptions

  SECTION_PARAMETERS
  	&GGA_X_NCAP {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

  _ALPHA
  	_ALPHA {Real}
  	alpha
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 3.45111722E-001

  _BETA
  	_BETA {Real}
  	beta
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 1.80856970E-002

  _MU
  	_MU {Real}
  	mu
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 2.19514973E-001

  _ZETA
  	_ZETA {Real}
  	zeta
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 3.04121419E-001