RSIindices

Real Space Invariants of the space groups

Real Space Invariants of the space groups

Given a space group, the program calculates the Real Space Invariants (RSIs) of a space 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 space group, in terms of the single or double valued irreps at the maximal k-vectors of the space group.

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

Xu, Y; et al. "Filling-Enforced Obstructed Atomic Insulators" arXiv e-prints, arXiv: 2106.10276 (2021).

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).

Enter the label of the space 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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