Spglib: a software library for crystal symmetry search
A computer algorithm to search the symmetries of crystal structures, as implemented in the 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 t...
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| Главные авторы: | , , |
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| Формат: | Artigo |
| Язык: | Inglês |
| Опубликовано: |
Taylor & Francis Group
2024-12-01
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| Серии: | Science and Technology of Advanced Materials: Methods |
| Предметы: | |
| Online-ссылка: | https://www.tandfonline.com/doi/10.1080/27660400.2024.2384822 |
| Метки: |
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