$\texttt{Spglib}$: a software library for crystal symmetry search
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arXiv
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| Main Authors: | , , |
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| Format: | Preprint |
| Published: |
2018
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| Subjects: | |
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| _version_ | 1866917611939299328 |
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| author | Togo, Atsushi Shinohara, Kohei Tanaka, Isao |
| author_facet | Togo, Atsushi Shinohara, Kohei Tanaka, Isao |
| contents | A computer algorithm to search symmetries of crystal structures as implemented in the \texttt{spglib} code is described. An iterative algorithm is employed to robustly identify space group types tolerating a certain amount of distortion in the crystal structures. The source code is distributed under the 3-Clause BSD License, a permissive open-source software license. This paper focuses on the algorithm for identifying the space group symmetry of the crystal structures. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_1808_01590 |
| institution | arXiv |
| publishDate | 2018 |
| record_format | arxiv |
| spellingShingle | $\texttt{Spglib}$: a software library for crystal symmetry search Togo, Atsushi Shinohara, Kohei Tanaka, Isao Materials Science A computer algorithm to search symmetries of crystal structures as implemented in the \texttt{spglib} code is described. An iterative algorithm is employed to robustly identify space group types tolerating a certain amount of distortion in the crystal structures. The source code is distributed under the 3-Clause BSD License, a permissive open-source software license. This paper focuses on the algorithm for identifying the space group symmetry of the crystal structures. |
| title | $\texttt{Spglib}$: a software library for crystal symmetry search |
| topic | Materials Science |
| url | https://arxiv.org/abs/1808.01590 |