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

26th WIEN2k - W O R K S H O P
DFT based simulations of solids with the WIEN2k code
August 13th - 17th, 2019
Satellite Meeting of the 32nd European Crystallographic Meeting, ECM32, Vienna, Austria (18. - 23. August 2019)


The WIEN2k program package is one of the most popular DFT codes in Computational Materials Science and allows to calculate the electronic structure of solids with high precision. The WIEN2k workshop includes elementary and advanced tutorials on DFT, electronic structure calculations, magnetic, optical and spectroscopic properties. We start with detailed introductions and then have hands-on exercises with the WIEN2k program. In addition, there will also be a poster session for presentations by the participants. The WIEN2k community is steadily increasing and now we have about 3100 registered users. The WIEN2K code is continously updated to serve researchers in the field of Materials Science, thanks to the efforts of various contributors. Following a long tradition and with great vitality, the WIEN2k workshop provides an arena for both, new and experienced WIEN2k users who come together and discuss elemental questions as well as the latest developments in the world of WIEN2k.

For more information on WIEN2k see the WIEN2k Homepage

Topics of the workshop

  • Introduction to density functional theory
  • Introduction to the APW+lo method
  • Concepts of WIEN2k
  • Use of the web-based graphical user interface (w2web) as well as the command-line interface
  • "Hands-on" calculations with the WIEN2k code
  • DFT+U, hybrid-DFT, GW, BSE and optical properties
  • Core level spectroscopy (XPS, XAS, EELS)
  • NMR Chemical shifts, Knight shifts and quadrupole interactions, Mössbauer hyperfine interactions
  • Relativistic effects, collinear and non-collinear magnetism
  • Advanced topics and new features in WIEN2k (building models with supercells, structure optimization, phonons, Wannier functions, Berry phases, Transport, ... )
  • discussions and exchange of experience between users and developers
  • Poster session
    • (You must send a camera-ready pdf-file (max 1 page) to Peter Blaha.)

Here you can find the final program (pdf).

Here you can download the talks and exercises in pdf format

General Information:

Dates: 13-17 August 2019
Begin of workshop: Tuesday morning (13. August at 9 a.m.)
End of workshop: Saturday afternoon (17. August, 1 p.m. with open end exercises)
Social event: Conference dinner at a Viennese "Heuriger": Friday evening, Aug 16, 2019
Conference site:
The workshop will take place at:
TU Vienna, Campus Gusshausstrasse
Gusshausstrasse 25, A-1040 Vienna, Austria
Lecture room: Kontaktraum, 6th floor
The TU Vienna is conveniently located close to the City Center and can be reached easily by public transportation (U2, U4, U1, Station Karlsplatz; or U1, Station Paulanergasse).
Hands-on sessions:
Please bring your own laptop + power cable + adapter for European plug. Plugs and wlan connection will be provided.
When you have a MS-Windows laptop, please install the x2go client on it.



Vienna offers a wide variation of Hotels of all categories. Check out platforms like: airbnb or .... and choose a convenient hotel (price/location).

We also list below some recommended nearby Hotels (mention "TU Wien" during reservation for a better price):

Hotel Drei Kronen Wien City (~ € 80)
Schleifmühlgasse 25, A-1040 Wien
Tel: 0043 (0)1 587 32 89;

Hotel Carlton (~ € 70)
Schikanedergasse 4, A-1040 Wien
Tel: 0043 (0) 1587 53 020;

Hotel Mercure Secession Wien (~ € 100)
Getreidemarkt 5, A-1060 Wien
Tel: 0043 (0) 1 588 38 151;

Online Registration and Fees:

The registration fee is just 200 Euro.

It includes workshop attendance, coffee breaks and the common dinner at the "Heurigen" (Note: this Heurigen is already included in the registration fee, do NOT reregister (and pay) again for this event during the workshop registration ! Other Satellites did not include the Heurigen trip in their fees and thus there one must make an extra registration).
Since the WIEN2k workshop is a Satellite meeting to ECM2019, you may also consider participation on this large and interesting conference. In any case, you can register either ONLY for the Wien2k workshop, or for both events.

Please register directly at the Satellites page of ECM2019.

If you have any questions, please contact P. Blaha.

Homepage (Theoretical Chemistry Group) - Inst. of Materials Chemistry - TU-Wien

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