Influence of electronic entropy on Hellmann-Feynman forces in ab initio molecular dynamics with large temperature changes
Geng, M., Mohn, C. E. (2023) Phys. Rev. B, V. 108, 134110
https://doi.org/10.1103/PhysRevB.108.134110
Published Jan. 22, 2024 4:16 PM
- Last modified Jan. 22, 2024 4:16 PM