JuRSE Code of the Month - November 2024

Each month we highlight a code from Forschungszentrum Jülich and this month's code is developed at Peter Grünberg Institute, Quantum Theory of Materials (PGI-1).

FLEUR
FLEUR is a feature-full, freely available FLAPW (full-potential linearized augmented-plane-wave) code, based on density-functional theory. This highly precise all-electron approach is universally applicable to all atoms of the periodic table and to systems with compact as well as open structures.

JuRSE selected highlights
This code is supported by a community of users and developers, and offers guidelines for contribution, bug reporting, and help through a forum. Their website promotes various resources, such as documentation, videos, and tutorials. Their repository includes a CITATION.cff file, which delineates and harmonizes software citation.

More information
Website: https://www.flapw.de
RSD: https://helmholtz.software/software/fleur
GitLab: https://iffgit.fz-juelich.de/fleur/fleur