Band Structure Python Packages

blaze2d

A Rust-based 2D PWE Maxwell solver architected specifically for massive parameter sweeps. It significantly outperforms MIT's MPB while achieving a similar accuracy.

tbkit

Build and solve tight-binding models in Python: band structures, band topology (Chern, Z2, higher-order), quantum transport, Floquet and moiré systems, in vectorized NumPy/SciPy, for teaching and research

masci-tools

Post-processing toolkit for electronic structure calculations

aiida-kkr

AiiDA plugin of the high-performance density functional theory code JuKKR (www.judft.de) for high-throughput electronic structure calculations.

aiida-fleur

AiiDA plugin of the high-performance density functional theory code FLEUR (www.judft.de) for high-throughput electronic structure calculations.

pybinding

Scientific Python package for tight-binding calculations in solid state physics

nano-net

The project represents an extendable Python framework for the electronic structure computations based on the tight-binding method and transport modeling based on the non-equilibrium Green's function (NEGF) method. The code can deal with both finite and periodic system translated in one, two or three dimensions.

pysktb

Scientific Python package for solving Slater Koster tight-binding topological hamiltonian

elphem

Electron-Phonon Interactions with Empty Lattice

fuller

Probabilistic machine learning for reconstruction and parametrization of electronic band sturcture from photoemission spectroscopy data

qeview

Tool to help you analyze and visualize the results from Quantum Espresso (Band structure BS, DOS, pDOS) and Wannier90

pesfit

Distributed multicomponent lineshape fitting routines and benchmarks for multidimensional spectroscopy and spectral imaging

tightbinder

General purpose Slater-Koster tight-binding library for electronic structure calculations

mcu

Modeling and Crystallographic Utilities

tbee

A Python package to build and solve Tight-Binding models, for research and education