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Welcome to the FeCrAs-Model wiki!

This project's goal is to write all of my PhD thesis code in the open-source language, Python. It was previously written in Mathematica and C/C++. Some parts I may keep in C/C++ for speed considerations.

The code is meant to build a realistic model of the material FeCrAs (Iron-Chromium-Arsenic). It models the electron hopping processes through the structure of FeCrAs.

Currently, the project is lacking the inclusion of crystal field splitting effects.

Notes/Disclaimer: This project is in its infancy. Any suggestions relating to style or structural rearrangements are welcome. Also worth noting, I am currently not including pertinent data files used to calculate these band structures. Eventually the calculations to create said data will be written into this repository. For example, I plan to calculate crystal field splitting with the special functions and integration methods included with the scipy package.