Section XC_KERNEL

• The xc kernel to use (CAREFUL: xc kernel here refers to kernels that are not derived from an xc functional, but rather are modelled directly. This kernel will be used in a TDDFPT calculation. Cannot be combined with XC_FUNCTIONAL or XC_POTENTIAL.

• Section path: CP2K_INPUT / FORCE_EVAL / PROPERTIES / TDDFPT / XC / XC_KERNEL

• This section cannot be repeated.

• Subsections

  • UZH2022

• Keywords

  • SCALE_C
  • SCALE_X

• Keyword descriptions

  SCALE_C
  	SCALE_C {Real}
  	Scaling parameter for correlation kernel.
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 1.00000000E+000

  SCALE_X
  	SCALE_X {Real}
  	Scaling parameter for exchange kernel.
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 1.00000000E+000