Concepedia

High-throughput calculation for superconductivity of sodalite-like clathrate ternary hydrides MXH12 at high pressure

Tiancheng Ma, Zihan Zhang, Mingyang Du, Zihao Huo, Wenxuan Chen, Fubo Tian, Defang Duan, Tian Cui

Materials Today Physics · 2023 · 22 citations · 40 references

DOI

Concepts

References

40

Efficient iterative schemes for<i>ab initio</i>total-energy calculations using a plane-wave basis set

Georg Kresse, J. Furthmüller · Physical review. B, Condensed matter · 1996 · 120.5K citations

, , +15

From ultrasoft pseudopotentials to the projector augmented-wave method

Georg Kresse, Daniel P. Joubert · Physical review. B, Condensed matter · 1999 · 83.6K citations

, , +17

QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials

Paolo Giannozzi, Stefano Baroni, Nicola Bonini et al. · Journal of Physics Condensed Matter · 2009 · 28.8K citations · Full text

, , +17

VASPKIT: A user-friendly interface facilitating high-throughput computing and analysis using VASP code

Vei Wang, Nan Xu, Jincheng Liu et al. · Computer Physics Communications · 2021 · 7.3K citations · Full text

, , +5

Transition temperature of strong-coupled superconductors reanalyzed

Philip B. Allen, R. C. Dynes · Physical review. B, Solid state · 1975 · 3.6K citations

, , +16