Tools for working with tight-binding models (defined by a map from lattice vectors R to H(R) = <0|H|R>) and models defined directly on k-space as H(k).
Includes an implementation of the linear tetrahedron method with curvature corrections as defined in Blöchl, Jepsen, and Andersen, PRB 49, 16223 (1994).
Test data is stored in Git LFS. Before cloning the repository, install Git LFS:
cd ~
curl -L -o git-lfs-linux-amd64-2.2.1.tar.gz https://github.com/git-lfs/git-lfs/releases/download/v2.2.1/git-lfs-linux-amd64-2.2.1.tar.gz
tar -xvzf git-lfs-linux-amd64-2.2.1.tar.gz
cd git-lfs-2.2.1
PREFIX=$HOME ./install.sh
This assumes $HOME/bin is on your $PATH. If it is not, add the following to ~/.bashrc:
export PATH=$HOME/bin:$PATH
Pre-commit hook checks that code installed by package pre-commit checks that
code is unchanged after running cargo fmt. To get this command:
rustup install nightly
rustup run nightly cargo install rustfmt-nightly --force
Extract a tight-binding model from an hr.dat file as produced by Wannier90
and an accompanying data-file.xml from a self-consistent Quantum Espresso
calculation. Produce the density of states of this model.