Section XC_POTENTIAL

• The xc potential to use (CAREFUL: xc potential here refers to potentials that are not derived from an xc functional, but rather are modelled directly. Therefore there is no consistent xc energy available. To still get an energy expression, see ENERGY below

• Section path: CP2K_INPUT / FORCE_EVAL / DFT / XC / XC_POTENTIAL

• This section cannot be repeated and can be optional.

• Subsections

  • SAOP

• Keywords

  • ENERGY

• Keyword descriptions

  ENERGY
  	ENERGY [NONE,XC_FUNCTIONAL,SUM_EIGENVALUES
  	How to determine the total energy.
  	This optional keyword cannot be repeated and it expects precisely one keyword.
  	Default value: NONE
  	List of valid keywords: FUNCTIONAL NONE SOE SUM_EIGENVALUES XC_FUNCTIONAL