Title

Category: Electron Structure

Description

Quantum-ESPRESSO (opEn-Source Package for Research in Electronic Structure, Simulation, and Optimization) is a suite for electronic structure and materials modeling using Density Functional Theory, plane waves, and pseudopotentials.

Quantum-ESPRESSO contains the following packages:

Use

To set up the environment to use Quantum-ESPRESSO, load the module using module load q-espresso. Sample inputs can be found in $Q_ESPRESSO_DIR/examples

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Support

This package has the following support level : Supported

Available Versions

Version Available Builds
pgi pathscale gnu Other
4.0
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