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).
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.
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.
This year the
25. WIEN2k workshop
was held at
Boston College, Boston, USA.
12. - 16.June 2018
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.