1. School of Chemistry and Photon Science Institute; University of Manchester; Oxford Road Manchester M20 4NZ UK
2. Dipartimento di Fisica e Scienze della Terra; Università di Parma; Parco Area della Scienze 7/A I-43124 Parma Italy
3. ISIS Facility; Rutherford Appleton Laboratory; Didcot OX11 0QX UK
4. Institute for Advanced Simulation; Forschungzentrum Jülich; 52425 Jülich Germany
5. JARA High Performance Computing; RWTH Aachen University; 52062 Aachen Germany