1. Department of Chemistry, Indian Institute of Technology (IIT) Indore, Indore, Madhya Pradesh 453552, India
2. Computational Materials Physics Group, Department of Physics, Indian Institute of Technology Ropar, 140001, Panjab, India
3. Condensed Matter Theory Group, Materials Theory Division, Department of Physics and Astronomy, Uppsala University, Box 516, SE-751 20 Uppsala, Sweden