spglib

Library for crystal symmetry search

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

Find symmetry operations
Identify space-group type
Wyckoff position assignment
Refine crystal structure
Find a primitive cell
Search irreducible k-points

Versions: 1.16.0
Website: https://spglib.github.io/spglib/index.html
Licenses: Modified BSD
Package source: gnu/packages/chemistry.scm
Builds: See build status
Issues: See known issues

Installation

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.