{"about":{"site":"https://codewithpapers.app","non_affiliation":"Code with Papers and Syntology are not affiliated with, endorsed by, or sponsored by Papers with Code, Meta, or the pwc-archive mirror.","licence":"CC BY-SA 4.0","licence_url":"https://creativecommons.org/licenses/by-sa/4.0/legalcode","attribution":"https://codewithpapers.app/attribution","modified":"archive material modified by Syntology; see the attribution page"},"url":"/paper/elastool-an-automated-toolkit-for-elastic","title":"ElasTool: An automated toolkit for elastic constants calculation","arxiv_id":"2002.06535","date":"2020-02-16","proceeding":null,"authors":["Zhong-Li Liu"],"abstract":"We here present, the ElasTool package, an automated toolkit for calculating the second-order elastic constants (SOECs) of any two- (2D) and three-dimensional (3D) crystal systems. It can utilize three kinds of strain-matrix sets, the high-efficiency strain-matrix sets (OHESS), the universal linear-independent coupling strains (ULICS) and the all-single-element strain-matrix sets (ASESS) to calculate the SOECs automatically. In an automatic manner, ElasTool can deal with both zero- and high-temperature elastic constants. The theoretical background and computational method of elastic constants, the package structure, the installation and run, the input/output files, the controlling parameters, and two representative examples of ElasTool are described detailedly. ElasTool is useful for either the exploration of materials' elastic properties or high-throughput new materials design. ElasTool is also available at our website: www.matdesign.cn.","url_abs":"https://arxiv.org/abs/2002.06535v1","url_pdf":"https://arxiv.org/pdf/2002.06535v1.pdf","source":{"archive":"pwc-archive (Hugging Face), CC BY-SA 4.0","snapshot":"2025-07-28","licence_url":"https://creativecommons.org/licenses/by-sa/4.0/legalcode","row_kind":"links_only","authors_date_abstract":"arXiv metadata, CC0 1.0 (https://info.arxiv.org/help/license), from the Kaggle arXiv metadata snapshot of 2026-09-12"},"code_links":[{"paper_slug":"elastool-an-automated-toolkit-for-elastic","repo_url":"https://github.com/zhongliliu/elastool","is_official":0,"mentioned_in_paper":0,"mentioned_in_github":1,"framework":"none","reach":null}],"tasks":[],"methods":[],"datasets_introduced":[],"methods_introduced":[],"results":[],"syntology":{"atlas_url":null,"mcp":null,"developers":"https://syntology.ai/developers"},"arxiv_metadata":null,"syntology_extracted_results":null}