FHI-aims: Full-Potential, All-Electron Electronic Structure Theory with Numeric Atom-Centered Basis Functions
Methods and code development · Fritz-Haber-Institut der Max-Planck-Gesellschaft · Theory Department
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Stable Features at a glance:

FHI-aims is an all-electron electronic structure code based on numeric atom-centered orbitals.

We here provide a list of some of the functionality that is now available. If a specific item is missing that should be here, or if you would like to know about a specific (future) item, feel free to ask us directly.

Most of FHI-aims was developed within the group at FHI, but a growing number of important contributions is being made by other groups. Please see our "The people behind FHI-aims" page for proper attribution.

Physical functionality: Practical handling: Available exchange-correlation treatments: Performance:

Some ongoing developments that are nearing completion: