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 [Edit on GitHub]

Subsections

• SAOP

Keywords

• ENERGY

Keyword descriptions

ENERGY: enum = NONE

Usage: ENERGY [NONE,XC_FUNCTIONAL,SUM_EIGENVALUES

Valid values:

• NONE

• XC_FUNCTIONAL

• FUNCTIONAL

• SUM_EIGENVALUES

• SOE

How to determine the total energy. [Edit on GitHub]