Description

From the FLEUR homepage: This is the homepage of FLEUR, a feature-full, freely available FLAPW (full-potential linearized augmented planewave) code, based on density-functional theory. The FLAPW-Method is an all-electron method which within density functional theory is universally applicable to all atoms of the periodic table and to systems with compact as well as open structures. It is widely considered to be the most precise electronic structure method in solid state physics.

Version

• MaX-6.0

Authorized Users

• CIRCE account holders
• RRA account holders
• SC account holders

Platforms

• CIRCE cluster
• RRA cluster
• SC cluster

Modules

FLEUR requires the following module file to run:

• apps/FLEUR/MaX-6.0

• See Modules for more information.

Documentation

Home Page, User Guides, and Manuals

• https://www.flapw.de/MaX-6.0/documentation/

More Job Information

See the following for more detailed job submission information:

• SLURM User’s Guide
• Scheduling and Dispatch Policies
• Advanced Submit Techniques

Reporting Bugs

Report bugs with FLEUR to the IT Help Desk: rc-help@usf.edu