1. Department of Materials, Imperial College London, London SW7 2AZ, United Kingdom
2. RIKEN Center for Computational Science, Kobe, Japan
3. Consiglio Nazionale delle Ricerche, Istituto per la Microelettronica e Microsistemi (CNR-IMM), Z.I. VIII Strada 5, I-95121 Catania, Italy
4. Univ. Grenoble Alpes, CEA, IRIG-MEM-L_Sim, 38000 Grenoble, France
5. Barcelona Supercomputing Center (BSC), Barcelona, Spain
6. Nextmol (Bytelab Solutions SL), Barcelona, Spain
7. Institut Laue Langevin, 38042 Grenoble, France
8. Istituto di Struttura della Materia-CNR (ISM-CNR), Via del Fosso del Cavaliere 100, 00133 Roma, Italy
9. Department of Physics, University of Basel, Basel, Switzerland