A platform for research: civil engineering, architecture and urbanism
A platform for research: civil engineering, architecture and urbanism
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 the 3-Clause BSD License, a permissive open-source software license. This paper focuses on the algorithm for identifying the space group symmetry of crystal structures.
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 the 3-Clause BSD License, a permissive open-source software license. This paper focuses on the algorithm for identifying the space group symmetry of crystal structures.
Spglib: a software library for crystal symmetry search
Atsushi Togo (author) / Kohei Shinohara (author) / Isao Tanaka (author)
2024
Article (Journal)
Electronic Resource
Unknown
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