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 effects and has many features. It has been licensed by more than 3600 user groups and has about 19000 citations on Google scholar (Blaha WIEN2k). A recent extensive overview on WIEN2k is given in:

The current version is WIEN2k_23.1 and was released on 19. Januar 2023. Version 23.1 is a major update, with several new features and many bugfixes. Upgrading from WIEN2k_21 (or earlier) is highly recommended.

We proudly announce that the 3000th license of WIEN2k was granted free of charge to Dr. Daniel Ion Bilc, Babeș-Bolyai University, Romania We would also like to take the opportunity to thank all WIEN2k users for their continuous interest and the lively discussions on the WIEN2k-mailinglist. In particular we want to acknowledge all who have contributed to this package. This international cooperation is largely responsible for the success of WIEN2k.