1. Materials Simulation and Modelling, Department of Applied Physics, Eindhoven University of Technology, P.O. Box 513, 5600 MB Eindhoven, The Netherlands
2. Center for Computational Energy Research, Department of Applied Physics, Eindhoven University of Technology, P.O. Box 513, 5600 MB Eindhoven, The Netherlands
3. Department of Chemistry, University of Cologne, Greinstraße 4-6, 50939 Cologne, Germany
4. Computational Materials Science, Faculty of Science and Technology and MESA+, Institute for Nanotechnology, University of Twente, P.O. Box 217, 7500 AE Enschede, The Netherlands