Section XALPHA

• Uses the XALPHA (SLATER) functional.

• Section path: CP2K_INPUT / FORCE_EVAL / DFT / TDDFPT / XC / XC_FUNCTIONAL / XALPHA

• This section can be repeated and cannot be optional.

• Subsections

  • none

• Keywords

  • SECTION_PARAMETERS
  • SCALE_X
  • XA

• Keyword descriptions

  SECTION_PARAMETERS
  	activates the functional
  	This optional keyword cannot be repeated and it expects precisely one logical.
  	The lone keyword behaves as a switch to .TRUE.
  	Default value: .FALSE.

  SCALE_X
  	scales the exchange part of the functional
  	This optional keyword cannot be repeated and it expects precisely one real.
  	Default value: 1.00000000E+00

  XA
  	XA 0.7
  	Value of the xa parameter (this does not change the exponent, just the mixing)
  	This optional keyword cannot be repeated and it expects precisely one real.
  	Default value: 6.66666667E-01