Quantum chemistry and solid state physics software package

Mirror of the Quantum ESPRESSO repository. Please do not post Issues or pull requests here. Use gitlab.com/QEF/q-e instead.

Official repository of the Wannier90 code

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

Public version of PolyChord: See polychord.co.uk for PolyChordPro

A utility for calculating the vibrational free energy of periodic crystals.

Toolbox for performing linear-scaling density functional theory + dynamical mean field theory

libAtoms/QUIP molecular dynamics framework: http://www.libatoms.org