Search 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

pybinding

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

magnopy

Magnons with python

widget-bandsplot

A Jupyter widget to plot band structure 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.

lattice-mc

Lattice gas Monte Carlo simulation code

lattpy

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

rdfpy

rdfpy is a Python package for computing 2D and 3D radial distribution functions.

wyckoff

A package for working with Wyckoff positions in crystallography

ruspectroscopy-tools

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

pyw90

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

polypy

Molecular Dynamics analysis

hextof-processor

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

bravais

A simple package for representing Bravais lattices in Python.

tightbinder

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

cij

Semiemperical quasiharmonic thermal elasticity

aseqe

Python API for the Quantum Espresso software

phonon-gas-model

Free energy calculation using phonon gas model