Band Structure Python Packages

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

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

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.

tightbinder

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

elphem

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

fuller

Integrated computational framework for electronic band structure reconstruction and parametrization

pysktb

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

qeview

Quantum Espresso Analysis and Visualization Tool

pesfit

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

mcu

Modeling and Crystallographic Utilities