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Adding a new dimension to DFT calculations of solids ...

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


    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.
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.
This year the

26. WIEN2k workshop

will be held in

Vienna, Austria,
as Satellite meeting to the 32nd European Crystallographic Meeting (ECM32).

13. - 17. August 2019

For more details and registration follow this link.

    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.

Find out more about our group on

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