Section GGA_K_RATIONAL_P

• RATIONAL^p by Lehtomaki and Lopez-Acevedo (by default p=3/2, C2=0.7687)

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

• This section cannot be repeated.

• Subsections

  • none

• Keywords

  • SECTION_PARAMETERS
  • SCALE
  • _C2
  • _P

• Keyword descriptions

  SECTION_PARAMETERS
  	&GGA_K_RATIONAL_P {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

  _C2
  	_C2 {Real}
  	Coefficient for s^2
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 7.68700000E-001

  _P
  	_P {Real}
  	Exponent
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 1.50000000E+000