Main Menu

quantum-espresso: Electronic-structure calculations at the nanoscale.

Contents

  1. Overview of package
    1. General usage
  2. Availability of package by cluster

Overview of package

General information about package
Package: quantum-espresso
Description: Electronic-structure calculations at the nanoscale.
For more information: http://quantum-espresso.org
Categories:
License: OpenSource (GPL)

General usage information

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.

This module will add the commands of the QE suite to your PATH. The Pseudopotential Library can be accessed via the environment variable \$QE_PSLIBRARY; the QE test-suite via the variable \$QE_TEST

Available versions of the package quantum-espresso, by cluster

This section lists the available versions of the package quantum-espressoon the different clusters.

Available versions of quantum-espresso on the Zaratab cluster

Available versions of quantum-espresso on the Zaratab cluster
Version Module tags CPU(s) optimized for GPU ready?
6.8 quantum-espresso/6.8 zen2 Y






Back to Top