Welcome to TB2J’s documentation!

TB2J is an 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 combinations of atomic orbitals. The program is based on Green’s function method with the local 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 localized orbitals (SIESTA, OpenMX and Abacus). A minimal user-input is needed, which allows for easy integration into high-throughput workflows.

The TB2J project is initialized in the PhyTheMa and Nanomat teams in the University of Liege.

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:tb2j@googlegroup.com.

More TB2J examples with full DFT/Wannier data can be found at https://github.com/mailhexu/TB2J_examples .

There are video tutorials in TB2J channel on youtube: https://www.youtube.com/channel/UCPbmKE10Wz3orbo4x-g0c9A .


Indices and tables