RSIindices

Real Space Invariants of the layer groups

Real Space Invariants of the layer groups

Given a layer group, the program calculates the Real Space Invariants (RSIs) of the layer group with and without spin-orbit coupling (SOC). The first table of the output lists the local RSIs for each Wyckoff position, in terms of the single (no SOC) or double (SOC) valued irreps of the site-symmetry group of the Wyckoff position. The second table gives the global RSIs of the layer group, in terms of the single or double valued irreps at the maximal k-vectors of the layer group.

If you are using this program in the preparation of an article, please cite these references:

Xu, Y; et al. "Three-Dimensional Real Space Invariants, Obstructed Atomic Insulators and A New Principle for Active Catalytic Sites" arXiv e-prints, arXiv: 2111.02433 (2021).

Xu, Y; et al. "Filling-Enforced Obstructed Atomic Insulators" Physical Review B (2024). 109165139. doi 10.1103/PhysRevB.109.165139

Petralanda et al. "Two dimensional Topological Quantum Chemistry and Catalog of Topological Materials" arXiv e-prints, arXiv:2411.08950 (2024)

Enter the label of the layer group:
Choose the type of indices: single (no SOC) or double (SOC) irreps.
Single-valued irreps (no SOC)
Double-valued irreps (SOC)

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