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

15th WIEN2k - W O R K S H O P

L/APW+lo calculations with the WIEN2k code

March 26-29, 2008
Vienna University of Technology, Austria
Chairman: K.Schwarz (TU Wien)


This workshop is aimed at anyone who wants to learn how density functional calculations can be done for solids using the "(full-potential) Augmented Plane Wave and local orbitals" method (L/APW+lo) as embodied in the WIEN2k code. Presently this code is used by more than 1200 groups worldwide. The workshop targets on both, the new and unexperienced user who wants to get familiar with WIEN2k, as well as the experienced user who wants to hear more about some advanced topics and can present his own results.

For more information on WIEN2k see the WIEN2k Homepage

Topics of the workshop

  • Part I (mainly for new users): 26. and 27. March
    • Introduction to density functional theory
    • Introduction to the APW method, the local orbitals and the linearization
    • Concepts of APW+lo in WIEN2k
    • Use of the web-based graphical user interface (w2web)
    • "Hands-on" calculations with the WIEN2k code
  • Part II (also for experienced researchers): 28. and 29. March
    • Advanced topics and new features in WIEN2k (non-linear optics, non-collinear magnetism, phonons, beyond DFT ... )
    • Results obtained by WIEN2k and related topics (contributions by participants)
    • Poster session
    • discussions and exchange of experience between users and developers

Here you can see the detailed Program.

General Information:

Date: March 25-29, 2003
Arrival:Tuesday, March 25 (registration from 4 to 7 p.m., informal reception)
Begin of workshop: Wednesday morning (March 26 at 9 a.m.)
End of workshop: Saturday late noon (March 29)
Departure: Sunday, March 30
Social event: Friday evening, March 28, 2008
"Heuriger":(Viennese wine tavern; included in registration fee)
Conference site:
The conference will take place at the TU Wien
(Vienna University of Technology)
Located near the center of the city (see map).
TU Wien
1040 Vienna
Wiedner Hauptstrasse 8 ("yellow" area in 2nd floor)
A Computer room for about 50 persons has been reserved.



Click here for a list of recommended hotels of various price categories. Early reservation is highly recommended. 

Online Registration: (List of accepted participants)

Please register using the following REGISTRATION FORM
Deadlines: please register as soon as possible but before March 10, 2008 


regular fee:: 180 Euro
accompanying person: 40 Euro

The fee should be paid
  • in cash at the workshop (prefered)
  • by Creditcard (VISA or Mastercard only): Please send a fax (or email) to +43-1-5880115698 or with the following information:
    type of card
    name of cardholder
    expiration date
  • by bank money transfer to
    Beneficiary K.Schwarz
    Account number 025-64793
    Erste Bank (BLZ 20111)
    Wiedner Hauptstraße 20
    A-1040 Vienna, Austria
    IBAN (intern. bank account nr.) AT19 2011 1000 02564793

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

©2001 by P. Blaha and K. Schwarz