1. Department of Chemistry, University of Hong Kong, Pokfulam Road, Hong Kong SAR, China.
2. Shenzhen JL Computational Science and Applied Research Institute, Shenzhen 518110, China.
3. Beijing Computational Science Research Center, Beijing 100084, China.
4. Bremen Center for Computational Materials Science, University of Bremen, Am Fallturm 1, 28359 Bremen, Germany.
5. Institut für Physik and Center of Interface Science, Carl von Ossietzky Universität, Oldenburg 26129, Germany.