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 3400 user groups and has about 16000 citations on Google scholar (Blaha WIEN2k). A recent extensive overview on WIEN2k is given in:

The current version is WIEN2k_21.1 and was released on 14. April 2021. Version 21.1 is a major update, with several new features and many bugfixes. Upgrading from WIEN2k_19 (or earlier) is highly recommended.

In the last years it became a tradition to have at least one "WIEN-workshop" every year, where new and experienced users can learn more about the code, get intensive hands-on training, interchange ideas and share experiences.

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.