1. Bremen Center for Computational Materials Science, University of Bremen, P.O. Box 330440, D-28334 Bremen, Germany
2. Physical and Life Sciences Directorate, Lawrence Livermore National Laboratory, Livermore, California 94550, United States
3. Department of Chemical Engineering, University of California, Davis, California 95616, United States
4. Computational Science Research Center, No. 10 East Xibeiwang Road, Beijing 100193, China
5. Computational Science and Applied Research Institute, Shenzhen 75120, China
6. Department of Chemistry, Structural Chemistry, Angström Laboratory, Uppsala University, Box
538, 752 21 Uppsala, Sweden