English

IRSSG: An Open-Source Software Package for Spin Space Groups

Materials Science 2026-05-27 v2

Abstract

We present an open-source software package IRSSG for investigating magnetic systems with spin space groups (SSGs). The package works within the density functional theory (DFT) framework and requires wavefunctions from DFT codes, such as VASP, Quantum ESPRESSO, as well as any other code that has an interface to Wannier90. We introduce a set of compact SSG international symbols by combining non-crystallographic point groups with the 230 crystallographic space groups. The program first identifies all SSG operations and determines the SSG international symbol for a given magnetic system. It then generates the SSG character tables of little groups at any kk point. Finally, it computes the traces of matrix representations of SSG operations and assigns irreducible corepresentation labels to magnetic energy bands. The program is not only timely but also essential for advancing research on the study of magnons, altermagnetism, magnetic topology, and novel high-degeneracy excitations in SSG systems.

Cite

@article{arxiv.2511.21821,
  title  = {IRSSG: An Open-Source Software Package for Spin Space Groups},
  author = {Sheng Zhang and Ziyin Song and Zhong Fang and Hongming Weng and Zhijun Wang},
  journal= {arXiv preprint arXiv:2511.21821},
  year   = {2026}
}

Comments

17 pages, 8 figures, published version

R2 v1 2026-07-01T07:56:59.341Z