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

Open-source library for analyzing the results produced by ABINIT

A tool for calculating topological invariants.

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

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

A tool for creating and manipulating tight-binding models.

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

Lattice gas Monte Carlo simulation code

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

Programs for constructing Brillouin zones in three- and two-dimensional space.

calculate chemical bond strength in solids, surfaces and molecules

ase interface for Quantum Espresso

A tool for calculating the general form of a k.p Hamiltonian with a given symmetry.

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

Semiemperical quasiharmonic thermal elasticity

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

Unsupervised landmark analysis for jump detection in molecular dynamics simulations.

BiCrystal is a Python 3 program that builds incommensurate unit cells of bilayer materials.

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

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