Code to compute a TB Hamiltonian

An evolving package to compute tight-binding Hamiltonians.

MPI

Band structure

If using mpi4py, install the mpi optional dependencies with pip install .[mpi].

If pip fails to build the package, you could try this stackoverflow discussion.

If this does not work, you can install mpi4py using conda (or mamba).

Name		Name	Last commit message	Last commit date
Latest commit History 77 Commits
examples		examples
src/tb_hamiltonian		src/tb_hamiltonian
.gitignore		.gitignore
LICENSE		LICENSE
README.md		README.md
pyproject.toml		pyproject.toml
test.ipynb		test.ipynb
test_aiida.ipynb		test_aiida.ipynb
test_aiida_continuum.ipynb		test_aiida_continuum.ipynb
test_aiida_onsite_sweep.ipynb		test_aiida_onsite_sweep.ipynb
test_aiida_sweep_cell_size.ipynb		test_aiida_sweep_cell_size.ipynb
test_continuum.ipynb		test_continuum.ipynb