\textsc{ElasTool}: an automated toolkit for elastic constants calculation

DOI10.1016/J.CPC.2021.108180zbMath1526.74071OpenAlexW3204467576MaRDI QIDQ6104992

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

Publication date: 16 June 2023

Published in: Computer Physics Communications (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1016/j.cpc.2021.108180

zbMATH Keywords

Poisson ratioYoung modulussound velocityDebye temperatureanisotropy indexcrystal systemHooke lawsecond-order elastic constantstrain-matrix set

Mathematics Subject Classification ID

Classical linear elasticity (74B05) Anisotropy in solid mechanics (74E10) Crystalline structure (74E15) Numerical and other methods in solid mechanics (74S99) Software, source code, etc. for problems pertaining to mechanics of deformable solids (74-04)

Cites Work

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• Calculations of single-crystal elastic constants made simple
• USPEX-evolutionary crystal structure prediction

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