TB2J is a open source Python package for the automatic computation of magnetic interactions (including exchange and Dzyaloshinskii-Moriya) between atoms of magnetic crystals from density functional Hamiltonians based on Wannierfunctions or linear combination of atomic orbitals. The program is based on the Green’s function method with thelocal rigid spin rotation treated as a perturbation. As input, the package uses the output of either Wannier90, whichis interfaced with many density functional theory packages, or of codes based on localised orbitals. A minimal userinput is needed, which allows for easy integration into high-throughput workflows.
The source code can be found at https://github.com/mailhexu/TB2J
For questions please use the online forum at https://groups.google.com/g/tb2j
, or send email to mailto:email@example.com
More TB2J examples with full DFT/Wannier data can be found at https://github.com/mailhexu/TB2J_examples