1. Institute of Solid State Physics Graz University of Technology NAWI Graz, Petersgasse 16 Graz 8010 Austria
2. Institute of Physical and Theoretical Chemistry Graz University of Technology NAWI Graz, Stremayrgasse 9 Graz 8010 Austria
3. Computational Materials Chemistry Group, Faculty of Chemistry and Biochemistry Ruhr‐University Bochum Universitätsstraße 150 Bochum 44801 Germany
4. Materials Center Leoben Roseggerstraße 12 Leoben 8700 Austria