Spglib#
Spglib is a library for finding and handling crystal symmetries written in C. There are the python, fortran, rust, and ruby interfaces.
The detailed algorithm of spglib is described the following text:
“\(\texttt{Spglib}\): a software library for crystal symmetry search”, Atsushi Togo and Isao Tanaka, https://arxiv.org/abs/1808.01590 (written at version 1.10.4)
Requirements#
C standard: As of version 2.1.0, Spglib explicitly enforces a minimum standard of C11
Features#
Find symmetry operations
Identify space-group type
Wyckoff position assignment
Refine crystal structure
Find a primitive cell
Search irreducible k-points
For more information#
Repository: spglib/spglib
License: BSD-3-Clause
Contact: atz.togo@gmail.com
Author: Atsushi Togo
Links#
Documentation (this page): https://spglib.readthedocs.io/
Repository spglib/spglib
Acknowledgments#
Spglib project acknowledges Paweł T. Jochym for deployment and packaging, Yusuke Seto for the Crystallographic database, Jingheng Fu for layer group implementation, Juan Rodriguez-Carvajal for the Magnetic space-group database, Dimitar Pashov for the Fortran interface, and many other contributors.