Concepedia

ElasTool: An automated toolkit for elastic constants calculation

Zhongli Liu, Chinedu E. Ekuma, Weiqi Li, Jianqun Yang, Xingji Li

Computer Physics Communications · 2021 · 69 citations · 25 references

DOI

Concepts

References

25

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

Self-Consistent Equations Including Exchange and Correlation Effects

W. Kohn, L. J. Sham · Physical Review · 1965 · 63.2K citations · Full text

, , +15

The Elastic Behaviour of a Crystalline Aggregate

R. Hill · Proceedings of the Physical Society Section A · 1952 · 11.2K citations

, , +17

Dynamical Theory of Crystal Lattices

Max Born, Kun Huang, M. Lax · American Journal of Physics · 1955 · 10.6K citations

, , +9