QE
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)
Availability: GALILEO100, LEONARDO, MARCONI
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: [email protected]