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 3100 user groups and has about 12000 citations on Google scholar (Blaha WIEN2k).

The current version is

WIEN2k_19.1

and was released on 13. June 2019. Version 19.1 is a major update, with significantly increased speed (OpenMP and MPI parallelization), new features and some bug fixes. Upgrading from WIEN2k_18 (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

was held in

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

13. - 17. August 2019

For more details follow this link.

We proudly announce that the

3000^th 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 http://www.imc.tuwien.ac.at/