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 3000 user groups and has about 12000 citations on Google scholar (Blaha WIEN2k).

The current version is WIEN2k_18.2 and was released on 17. July 2018. Version 18.2 is a minor update, while WIEN2k_18.1 was an important update, with new features (3ddens, afmsim, pes, speed-up for non-local van der Waals) and fixing some bugs. Upgrading from WIEN2k_17 (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.