The National Institute for Computational Sciences

Software

q-espresso

Category: APPLICATIONS > MATERIAL SCIENCE (CHEMISTRY/MATERIALS) / MD

Description

For more information see the q-espresso website

Description appeared on the q-espresso website : "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."

Use

q-espresso is available as a module.

Once the q-espresso module has been loaded, its tool and libraries can be used.

Support

This package has the following support level : Supported

Available Versions

Version Available Builds
Other
6.0
?
5.4.0
?