Software - WIEN2k
The package Wien2k allows to perform electronic structure calculations of solids using density functional theory (DFT). It is based on the full-potential (linearized) augmented plane-wave ((L)APW) + local orbitals (lo) method, one among the most accurate schemes for band structure calculations. Wien2k is an all-electron scheme including relativistic effects and has many features.
Support site:
http://susi.theochem.tuwien.ac.at/
http://susi.theochem.tuwien.ac.at/
Restricted License