1. Institute of Fusion Energy and Nuclear Waste Management (IFN-2)─Nuclear Waste Management, Forschungszentrum Jülich GmbH, Jülich 52425, Germany
2. Institute of Energy Technologies (IET-3)─Theory and Computation of Energy Materials, Forschungszentrum Jülich GmbH, Jülich 52425, Germany
3. Jülich Aachen Research Alliance JARA Energy & Center for Simulation and Data Science (CSD), Jülich 52425, Germany