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Calculate topological invariants to facilitate topological material analysis.
In recent years, topological materials science is a great revolutionary progress in the field of materials science, which is closely related to group theory, in which, a typical representative emerging discipline is Topological Quantum Chemistry. So, add some related features are also intriguing.
Related literature and studies:
https://doi.org/10.1038/nature23268 https://doi.org/10.1103/PhysRevB.102.115117 https://github.com/oashour/AbInitioTopo.jl
Regards, Zhao