Algorithms for magnetic symmetry operation search and identification of magnetic space group

What is it about?

The paper presents algorithms for magnetic symmetry in crystal structures. It offers a stable approach with minimal changes to current methods and introduces a tool available in Spglib.

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Why is it important?

The work bridges a gap in computational crystallography, introducing essential algorithms for MSGs, aiding high-throughput calculations and predictions. Its rigorous approach and open-source implementation make it invaluable for researchers in the field.