This repository contains source code and documentaiton for a project aimed to extract classical Heisenberg model parameters from density functional theory codes that employ non-orthogonal basis sets, such as siesta.
The package depends on some python packages that can be simply installed e.g. through pip:
- sisl for nice pythonic input/output for electronic structure codes
- mpi4py for parallel BZ integrals
- tqdm for nice progressbars (not really necessary but fun)
