QuantumESPRESSO 2016

Introduction

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. ¹

Installed version(s)

This version is installed and currently available

on environment hpc-env/8.3:

QuantumESPRESSO/6.6-intel-2019b
QuantumESPRESSO/6.7-iomkl-2019b

Using QuantumESPRESSO

To load the desired version of the module, use the command, e.g.

module load hpc-env 8.3
module load QuantumESPRESSO/6.6-intel-2019b

Always remember: this command is case sensitive!

If you want to find out more about QuantumESPRESSO on the HPC cluster, you can use the command

module spider QuantumESPRESSO

This will show you basic information e.g. a short description and the currently installed version.

Documentation

The full documentation can be found here.