Band Structure Python Packages

aiida-kkr

AiiDA plugin for the JuKKR codes

masci-tools

Post-processing toolkit for 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

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.

nano-net

Python framework for tight-binding computations

pysktb

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

elphem

Elphem: Calculating electron-phonon interactions with the empty lattice.

qeview

Quantum Espresso Analysis and Visualization Tool

fuller

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

tightbinder

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

pesfit

Multiband lineshape fitting routines for photoemission spectroscopy

mcu

Modeling and Crystallographic Utilities