MagInt

MagInt implements the force-theorem Hubbard-I approach for calculating intersite exchange interactions in correlated insulators.

The formalism is given in L. V. Pourovskii Phys. Rev. B 94, 115117 (2016) and the source code can be found on GitHub at the following repository. This Python-3 version is based on the TRIQS software library, and the DFT code interface TRIQS/DFTTools. The current version of MagInt is interfaced with TRIQS 3.1.x and it comes with its own Fortran-based Hubbard-I solver.

For installation use the same branch / tag as your triqs installation. More information under Installation.

Learn how to use magint in the documentation and the via the Manual (pdf).

Workflow of a MagInt calculation

The workflow of a typical MagInt calculation is :

Detailed in the Manual.

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