Spglib: a software library for crystal symmetry search
Abstrak
ABSTRACT 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. GRAPHICAL ABSTRACT IMPACT STATEMENT This paper presents a detailed description of the computer algorithm utilized in the spglib code, which is a computer software library for determining crystal symmetry and space group type classifications.
Penulis (3)
A. Togo
Kohei Shinohara
Isao Tanaka
Akses Cepat
- Tahun Terbit
- 2024
- Bahasa
- en
- Total Sitasi
- 201×
- Sumber Database
- Semantic Scholar
- DOI
- 10.1080/27660400.2024.2384822
- Akses
- Open Access ✓