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QUANTUM ESPRESSO (opEn-Source Package for Research in Electronic Structure, Simulation, and Optimization)

Copied fromcf-post-staging / qe

Installation

To install this package, run one of the following:

Conda
$conda install conda-forge::qe

Usage Tracking

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Downloads (Last 6 months): 0

Description

QUANTUM ESPRESSO is an integrated suite of Open-Source computer codes for electronic-structure calculations and materials modeling at the nanoscale. It is based on density-functional theory, plane waves, and pseudopotentials.

About

Summary

QUANTUM ESPRESSO (opEn-Source Package for Research in Electronic Structure, Simulation, and Optimization)

Last Updated

Sep 8, 2025 at 09:53

License

GPL-2.0-only

Total Downloads

122.7K

Supported Platforms

macOS-64
linux-64
linux-aarch64

Home

http://www.quantum-espresso.org/

GitHub Repository

https://github.com/QEF/q-e

Documentation

http://www.quantum-espresso.org/Doc/user_guide/