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

An open-source Python package for creating fast and accurate interatomic potentials.

Aiida Quantumespresso ⭐ 52

The official AiiDA plugin for Quantum ESPRESSO

GPU-accelerated Quantum ESPRESSO using CUDA FORTRAN

Official mirror of Quantum ESPRESSO

Quantum Espresso Tutorial 2019 Projects ⭐ 35

Deprecated Quantum Espresso ⭐ 33

[DEPRECATED] Please use https://github.com/QEF/q-e instead

Qe Gpu Plugin ⭐ 31

Plug-in to accelerate Quantum ESPRESSO v5 using NVIDIA GPU

Qe Gipaw ⭐ 28

QE-GIPAW for Quantum-Espresso (official repository)

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

Ce Tddft ⭐ 18

Real-time TDDFT for Quantum-Espresso

Projected Bands In Quantum Espresso ⭐ 11

Projected Electronic Bands in Quantum Espresso

Bicrystal ⭐ 11

BiCrystal is a Python 3 program that builds incommensurate unit cells of bilayer materials.

Docs and examples for Quantum-Espresso

Xespresso ⭐ 10

Quantum ESPRESSO Calculator for Atomic Simulation Environment (ASE).

Aiidalab Qe ⭐ 9

AiiDAlab App for Quantum ESPRESSO

Aiida Wannier90 ⭐ 9

AiiDA plugin for the Wannier90 code

Set of utilities for using Quantum-Espresso with ASE and ipython notebooks.

Learn Fireside ⭐ 8

Mos2 Band Structure ⭐ 8

Band structure of bulk 2H-phase MoS2

Quantum Espresso Codes ⭐ 7

Vasp Lammps Installation Tips ⭐ 7

Installation steps for various programs like VASP, LAMMPS, Quantum Espresso, Siesta in parallel

phiGEMM: CPU-GPU hybrid matrix-matrix multiplication library

Bloch Representation Analysis and Visualization Environment

Q E Sirius ⭐ 6

SIRIUS-enabled Quantum ESPRESSO

A shell script to find band gap from pw.x (Quantum Espresso) output

Qe Docset ⭐ 5

Dash docset generator for Quantum ESPRESSO.

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