Welcome to the Hennig materials theory group! This repository exists to help new users to understand the computational methods being used in the group and to get started researching their own materials.
You'll notice that there is only one folder here, titled
objectives. objectives has a bunch of files that each have a list of objectives
that you should go through one at a time. There's no pressure to finish all
of these quickly, but the sooner you get started on them the sooner you'll be
able to run actual calculations and know what you're doing. These objectives are intended
to take you from "zero to sixty" on a variety of different topics, and include everything
from opening accounts on supercomputers to learning Linux & Python to running
research grade density-functional theory calculations.
If you have any questions or run into any issues with the examples, please just post an issue to the issues page.
Cheers!