Quantum Espresso Python Packages

aiida-quantumespresso

The official AiiDA plugin for Quantum ESPRESSO

atomistics

Interfaces for atomistic simulation codes and workflows

aiida-bader

AiiDA plugin for Bader charge analysis

aiidalab-qe

AiiDAlab App for Quantum ESPRESSO

elphmod

Python modules for electron–phonon models

aiida-qe-xspec

An AiiDA plugin designed for core-level spectroscopy calculations using Quantum ESPRESSO

dftfit

Ab-Initio Molecular Dynamics Potential Development

aiidalab-qe-wannier90

Web GUI for Quantum ESPRESSO and Wannier90 calculations in AiiDA.

qmatsuite

Quantum Visualization Interacting Toolkit for Ab-initio Simulations

koopmans

Implementation of Koopmans-compliant functionals in Quantum ESPRESSO

dfttoolbox

A toolbox to initialize or postpocess several DFT codes

xespresso

Quantum ESPRESSO Calculator for Atomic Simulation Environment (ASE).

vipster

Visualization and editing of periodic molecular structure files.

qeview

Quantum Espresso Analysis and Visualization Tool

aiida-quantumespresso-test

The official AiiDA plugin for Quantum ESPRESSO

tilde

Materials informatics framework for ab initio data repositories

qeijo

Lightweight library to easily launch ab initio calculations with Quantum Espresso.