Introduction to Solid State theory, DFT and the APW-method - WIEN 2k

Basis Sets for Solids• plane waves• pseudo potentials• PAW (projector augmented wave) by P.E.Blöchl• space partitioning (augmentation) methods• LMTO (linear muffin tin orbitals)• ASA approx., linearized numerical radial function+ Hankel- and Bessel function expansions• full-potential LMTO• ASW (augmented spherical wave)• similar to LMTO• KKR (Korringa, Kohn, Rostocker method)• solution of multiple scattering problem, Greens function formalism• equivalent to APW• (L)APW (linearized augmented plane waves)• LCAO methods• Gaussians, Slater, or numerical orbitals, often with PP option)