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Library for crystal symmetry search

Spglib is a library for finding and handling crystal symmetries written in C. Spglib can be used to:

  1. Find symmetry operations

  2. Identify space-group type

  3. Wyckoff position assignment

  4. Refine crystal structure

  5. Find a primitive cell

  6. Search irreducible k-points


Install the latest version of spglib as follows:

guix install spglib

Or install a particular version:

guix install spglib@1.16.0

You can also install packages in augmented, pure or containerized environments for development or simply to try them out without polluting your user profile. See the guix shell documentation for more information.