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.

Version: 7.1 (MARCONI) 7.2 (G100, LEONARDO)


Target: all

Official web site: http://www.quantum-espresso.org/

Related Commands:

To see all the installed versions use the command:

modmap -m qe

You can find an example of the batch script and documentation on the system, with the command

module help qe 

Help and Documentation:

The manual is on the web at the original home page (http://www.quantum-espresso.org/) CINECA consultants can be reached through the address: superc@cineca.it