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.

Semiemperical quasiharmonic thermal elasticity

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

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)