dftworks/dftworks

Density-functional toolkit

An electronic structure package based on either plane wave basis or numerical atomic orbitals.

Simulation Package for Ab-initio Real-space Calculations

DFT-FE: Real-space DFT calculations using Finite Elements

Domain specific library for electronic structure calculations

DFTB+ general package for performing fast atomistic simulations

Quantum chemistry and solid state physics software package

Full public release of large scale and linear scaling DFT code CONQUEST

Plane wave density functional theory using Julia programming language