Section GGA_C_LYPR

• Short-range LYP by Ai, Fang, and Su

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

• This section cannot be repeated.

• Subsections

  • none

• Keywords

  • SECTION_PARAMETERS
  • SCALE
  • _A
  • _B
  • _C
  • _D
  • _M1
  • _M2
  • _OMEGA

• Keyword descriptions

  SECTION_PARAMETERS
  	&GGA_C_LYPR {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}
  	Parameter a
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 4.91800000E-002

  _B
  	_B {Real}
  	Parameter b
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 1.32000000E-001

  _C
  	_C {Real}
  	Parameter c
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 2.53300000E-001

  _D
  	_D {Real}
  	Parameter d
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 3.49000000E-001

  _M1
  	_M1 {Real}
  	Parameter m1
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 1.52838428E-001

  _M2
  	_M2 {Real}
  	Parameter m2
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 8.73362445E-001

  _OMEGA
  	_OMEGA {Real}
  	Range-separation parameter
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 3.30000000E-001