Input section XC_POTENTIAL

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Input reference of CP2K version 2.4.0 (Revision 12993)

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 / TDDFPT / 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 Without description, yet. NONE Without description, yet. SOE Without description, yet. SUM_EIGENVALUES Without description, yet. XC_FUNCTIONAL Without description, yet.

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(Last update: 19.6.2013)