Section GGA_K_ERNZERHOF

• Ernzerhof  [Edit on GitHub]

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

• This section cannot be repeated.

• Subsections

  • none

• Keywords

  • SECTION_PARAMETERS
  • SCALE
  • _A0
  • _A1
  • _A2
  • _A3
  • _A4
  • _B0
  • _B1
  • _B2
  • _B3
  • _B4

• Keyword descriptions

  SECTION_PARAMETERS
  	&GGA_K_ERNZERHOF {Logical}
  	Activates the functional.  [Edit on GitHub]
  	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  [Edit on GitHub]
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 1.00000000E+000

  _A0
  	_A0 {Real}
  	constant term in numerator  [Edit on GitHub]
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 1.35000000E+002

  _A1
  	_A1 {Real}
  	coefficient for x^2 in numerator  [Edit on GitHub]
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 4.60748620E-001

  _A2
  	_A2 {Real}
  	coefficient for x^4 in numerator  [Edit on GitHub]
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 1.35388578E-003

  _A3
  	_A3 {Real}
  	coefficient for x^6 in numerator  [Edit on GitHub]
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 0.00000000E+000

  _A4
  	_A4 {Real}
  	coefficient for x^8 in numerator  [Edit on GitHub]
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 0.00000000E+000

  _B0
  	_B0 {Real}
  	constant term in denominator  [Edit on GitHub]
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 1.35000000E+002

  _B1
  	_B1 {Real}
  	coefficient for x^2 in denominator  [Edit on GitHub]
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 4.93659235E-002

  _B2
  	_B2 {Real}
  	coefficient for x^4 in denominator  [Edit on GitHub]
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 0.00000000E+000

  _B3
  	_B3 {Real}
  	coefficient for x^6 in denominator  [Edit on GitHub]
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 0.00000000E+000

  _B4
  	_B4 {Real}
  	coefficient for x^8 in denominator  [Edit on GitHub]
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 0.00000000E+000