OEPLevel
OEPLevel
Section Hamiltonian::XC
Type integer
Default oep_kli
At what level shall Octopus handle the optimized effective potential (OEP) equation.
Options:
- oep_none:
Do not solve OEP equation.
- oep_kli:
Krieger-Li-Iafrate (KLI) approximation.
Ref: JB Krieger, Y Li, GJ Iafrate, Phys. Lett. A 146, 256 (1990).
- oep_full:
(Experimental) Full solution of OEP equation using the Sternheimer approach.
The linear solver will be controlled by the variables in section Linear Response::Solver,
and the iterations for OEP by Linear Response::SCF in LR calculations and variable
OEPMixing. Note that default for LRMaximumIter is set to 10.
Ref: S. Kuemmel and J. Perdew, Phys. Rev. Lett. 90, 043004 (2003).