P. Blaha, K. Schwarz, G. K. H. Madsen, D. Kvasnicka, J. Luitz, R. Laskowski, F. Tran and L. D. Marks Institute of Materials Chemistry, TU Vienna The program 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 effec
Jmol: an open-source Java viewer for chemical structures in 3D
Quantum Functional Materials Design and Application Laboratory
PHONON Software
wien2wannier — from linearized augmented plane waves to maximally localized Wannier functions