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


27th W I E N 2 k - W O R K S H O P
June 29th - July 3rd, 2020
" B L A H A - S y m p o s i u m "
July 3rd - July 4th, 2020                             
40 years of DFT based simulations of solids with the WIEN2k code


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 3250 registered users. The WIEN2K code development started 1980 with the PhD theses of P. Blaha. The 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. In addition there will be a scientific symposium covering 40 years of DFT simulations of solids.

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.)
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.

General Information:

Dates: 29 June - 3 July 2020
Begin of Workshop: Monday morning (29. June at 9 a.m.)
Begin of "Blaha-Symposium": Friday (3. July)
End of Workshop+Symposium: Saturday (4. July, late afternoon)
Social event: Conference dinner at a Viennese "Heuriger": Friday evening, July 3, 2020
Workshop 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).
Symposium site:
The Symposium will take place at:
Palais Eschenbach (Österreichischer Gewerbe Verein, ÖGV)
Eschenbachgasse 11, A-1010 Vienna, Austria



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 for workshop + Symposium is just 300 Euro.
It includes workshop + Symposium attendance, coffee breaks and the conference dinner at the "Heurigen".


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

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

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