1. College of Environmental Science and Engineering, North China Electric Power University, Beijing 102206, P. R. China
2. School of Physics, Beihang University, Beijing 100191, P. R. China
3. Beijing Computational Science Research Center, Beijing 100193, P. R. China
4. School of Physics and Electronics, Central South University, Changsha 410083, P. R. China
5. Scientific Computing Department, STFC UKRI, Rutherford Appleton Laboratory, Harwell Campus, OX11 0QX Didcot, United Kingdom
6. School of Chemistry, University of Southampton, Highfield, SO17 1BJ Southampton, United Kingdom