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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Welcome to the Fritz Haber Institute ab initio molecular simulations package.

FHI-aims is an accurate all-electron, full-potential electronic structure code package for computational materials science, offering: