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

Atomsk: A Tool For Manipulating And Converting Atomic Data Files -

BandUP: Band Unfolding code for Plane-wave based calculations

Notes and tutorials on Density Functional Theory calculation using Quantum Espresso.

A library of ultrasoft and PAW pseudopotentials

Optimized Norm-Conserving Vanderbilt Pseudopotential for Quantum Espresso in UPF format

Quantum Visualization Interacting Toolkit for Ab-initio Simulations

pwtools is a Python package for pre- and postprocessing of atomistic calculations, mostly targeted to Quantum Espresso, CPMD, CP2K and LAMMPS. It is almost, but not quite, entirely unlike ASE, with some tools extending numpy/scipy. It has a set of powerful parsers and data types for storing calculation data.

GPU-accelerated Quantum ESPRESSO using CUDA FORTRAN

The official AiiDA plugin for Quantum ESPRESSO

Thermo_pw is a driver of quantum-ESPRESSO routines for the automatic computation of ab-initio material properties.

High-Performance configuration patterns and recipes.

A toolbox for quickly build inputs and analyze results of DFT codes

This repository contains example codes for the book: Quantum ESPRESSO Course for Solid‑State Physics, Jenny Stanford Publishing, New York, 372 Pages (2022) by N. T. Hung, A. R. T. Nugraha and R. Saito.

QE-GIPAW for Quantum-Espresso (official repository)

Python modules for electron–phonon models

Interatomic potential creating using DFT training data.

Express: a high-level, extensible workflow framework for accelerating ab initio calculations for the materials science community

Visualization and editing of periodic molecular structure files.

Python package providing some useful tools when dealing with molecules and materials under periodic boundary conditions and uniform grids. This is a mirror of https://gitlab.com/ales.genova/pbcpy