The FLAPW Homepage
(full potential linearized augmented plane wave method)
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. Due to the all-electron nature of the
method, magnetism is included rigorously and nuclear quantities e.g.
isomer shift, hyperfine field, electric field gradient (EFG), and core
level shift are calculated routinely. Also open systems such as
surfaces, clusters or inorganic molecules represent no basic problem.
The capability of calculating the forces exerted on the atoms within
the LAPW method opens the gate to structure optimization and molecular
dynamics and puts this method up on the same category as the
widespread pseudopotential method, but able of treating systems
pain-full or unattainable by the pseudopotential method.