Quantum Espresso

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.

Support site:
http://quantum-espresso.org

Eligibility

Alumni
Faculty
Post-Docs
Researchers
Staff
Students

License Type

Freeware

Installation instructions

Linux installation instructions

Use modules to load the applications available in the scientific application stack.
Please contact IT Linux Support or open a ticket with the IT Help Desk to install a new version of this application.

Loading Quantum Espresso from the scientific application stack

$ module load quantum-espresso
$ <execute quantum espresso commands>