Other magnetic material simulation packages

I started looking at MuMax3 yesterday, but realized that because of the higher level of theory, it's not really possible to directly use a CIF file in the simulations. You can approximate some of the relevant parameters, but maybe there's a better approach.

This lead me to VAMPIRE. It allows you to simulate magnetic materials with atomic resolution, from Ångstroms to micrometers. While at the cost of system size, it returns to first principles calculations and allows you to simulate at the atomic level.

Most magnetic simulations today utilize micromagnetics to predict and understand the behavior of magnetic nano materials. However developments in the complexity of magnetic materials and the increasing importance of complex physical effects such as exchange bias, spin transport, and heat assisted magnetic recording push the boundaries of what can be realistically modeled with micromagnetics. Atomistic simulation bridges the gap between micromagnetics approaches and electronic structure by treating a magnetic material at the natural atomic length scale. Vampire is a free, open source software package which makes atomistic simulations of magnetic materials easily accessible to both theoretical and experimental researchers alike.

In Vampire 5.0 there is enhanced support for unit cells with complex geometries which are now compatible with the range of CSG operations in the code.

Vampire 5.0 now includes limited support for GPU accelerated simulations with CUDA and OpenCL of basic features with up to 40x faster performance than a single processor.

There is also https://spirit-code.github.io/ that could be worth looking into.