Solid State Physics Python Packages

sisl

Electronic structure Python package for post analysis and large scale tight-binding DFT/NEGF calculations

abipy

Open-source library for analyzing the results produced by ABINIT

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

pybinding

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

magnopy

Magnons with python

widget-bandsplot

A Jupyter widget to plot bandstructure and density of states.

grogupy

Python package calculating relativistic magnetic interactions for the generalised Heisenberg model.

solid-dmft

solid_dmft is a versatile python wrapper to perform DFT+DMFT calculations utilizing the TRIQS software library.

rdfpy

A Python module for fast computation of 2D and 3D radial distribution functions (RDFs).

ruspectroscopy-tools

C extension module (for python) to generate gamma and E matrices in RUS (Resonant Ultrasound Spectroscopy)

lattpy

Simple and efficient Python package for modeling d-dimensional Bravais lattices in solid state physics.

wyckoff

A package for working with Wyckoff positions in crystallography

pyw90

A VASP and Wannier90 interfaced tool for projection analysis and fully automated dis energy window optimization

bravais

A simple package for representing Bravais lattices in Python.

cij

Semiemperical quasiharmonic thermal elasticity

hextof-processor

Code for preprocessing data from the HEXTOF instrument at FLASH, DESY in Hamburg (DE)

polypy

polypy - Analysis Tools for Solid State Molecular Dynamics and Monte Carlo Trajectories

nano-negf

A Python framework for the self-consistent solution of 1D Non-Equilibrium Green's Function (NEGF) and Poisson equations for nanowire (nano device) ballistic structures.

tightbinder

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

aseqe

ase interface for Quantum Espresso

lattice-mc

Lattice gas Monte Carlo simulation code

phonon-gas-model

Calculate thermodynamic properties of matter using phonon gas model (PGM)

tbee

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