ELSI

Description

ELSI provides and enhances scalable, open-source software library solutions for
electronic structure calculations in materials science, condensed matter physics, chemistry, and many other fields. ELSI focuses on methods that solve or circumvent eigenvalue problems in electronic structure theory. The ELSI infrastructure should also be useful for other challenging eigenvalue problems.

More information

Availability

Module Manneback Lemaitre4
ELSI/2.6.4-foss-2023a-PEXSI