1. Theory and Simulation of Materials (THEOS), and National Centre for Computational Design and Discovery of Novel Materials (MARVEL), École Polytechnique Fédérale de Lausanne, CH-1015 Lausanne, Switzerland
2. Dipartimento di Scienza dei Materiali, University of Milano-Bicocca, Via R.Cozzi 55, 20125 Milano, Italy
3. Dipartimento di Scienze Fisiche, Informatiche e Matematiche, University of Modena and Reggio Emilia, I-41125 Modena, Italy
4. Centro S3, Istituto di Nanoscienze-CNR, I-41125 Modena, Italy
5. Laboratory for Materials Simulations (LMS), Paul Scherrer Institut, CH-5232 Villigen PSI, Switzerland