1. Institute for Molecular Science and Research Center for Computational Science 38 Nishigo-Naka, Myodaiji Okazaki 444-8585 Japan
2. Elements Strategy Initiative for Catalysts and Batteries (ESICB)Kyoto University Kyoto 615-8245 Japan
3. Center for Computational Natural Sciences and BioinformaticsInternational Institute of Information Technology Hyderabad 500 032 India