WIEN2k
An all-electron, full-potential augmented-plane-wave package for calculating electronic structure and properties of solids.
Where it fits
All-electron solid-state benchmarks and studies sensitive to core or relativistic effects.
Limits and practical considerations
Muffin-tin radii, basis cutoffs and k-point sampling must be converged; large cells can require substantial memory.
Licensing and access
Registration and a WIEN2k licence are required; check the official order page for current terms and charges.
Official documentation and project