Adding a new dimension to DFT calculations of solids ...
CANCELLED due to the CORONA CRISIS
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
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
- "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.)
- 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
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
- 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).
- The Symposium will take place at:
- Palais Eschenbach (Österreichischer Gewerbe Verein, ÖGV)
- Eschenbachgasse 11, A-1010 Vienna, Austria
MAKE YOUR OWN RESERVATION
Vienna offers a wide variation of Hotels of all categories. Check out
platforms like: airbnb or
booking.com .... 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; www.hotel3kronen.at
Hotel Carlton (~ € 70)
Schikanedergasse 4, A-1040 Wien
Tel: 0043 (0) 1587 53 020; www.carlton.at
Hotel Mercure Secession Wien (~ € 100)
Getreidemarkt 5, A-1060 Wien
Tel: 0043 (0) 1 588 38 151; www.hotelsecession.com
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".
REGISTRATION NOT YET OPEN!
If you have any questions, please
contact P. Blaha.
©2001 by P. Blaha and K. Schwarz