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

9th WIEN - W O R K S H O P

L/APW+lo calculations with the WIEN2k code

April 23-26, 2003
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 500 groups worldwide. The workshop will be divided into two parts. The first part targets the new and unexperienced user, while in the second part experienced users can present their results demonstrating the kind of physics made possible by this code. In addition new and future features of WIEN2k will be presented and discussed.

For more information on WIEN2k see the WIEN2k Homepage

Topics of the workshop

  • Part I (mainly for new users): 23. and 24. April
    • 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): 25. and 26. April
    • New features in WIEN2k (non-linear optics, non-collinear magnetism, phonons, ...
    • Results obtained by WIEN2k and related topics (contributions by participants)
    • Poster session
    • discussions and exchange of experience between users and developers


Here you can download some talks in various formats

General Information:

Date: April 23-26, 2003
Arrival:Tuesday, April 22 (registration from 4 to 7 p.m., informal reception)
Begin of workshop: Wednesday morning (April 23 at 9 a.m.)
End of workshop: Saturday noon (April 26)
Departure: Sunday, April 27 (e.g. for APEX flights)
Social event: Friday evening, April 25, 2003
"Heuriger":(Viennese wine tavern; included in registration fee) Web page information in English
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
Computer terminals for 50 persons have been reserved.
Information about Vienna



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

Online Registration:

Please register using the following REGISTRATION FORM
Deadlines: please register as soon as possible but before April 1, 2003 


regular fee: part I and II : 160 Euro or
part II only: 80 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
    Account number 025-64793
    Erste Bank (BLZ 20111)
    Wiedner Hauptstraße 20
    A-1040 Vienna, Austria
    IBAN (intern. bank account nr.) AT19 2011 1000 02564793

Further information can be obtained from

Prof. K. Schwarz
Technical University Vienna
Institute for Materials Chemistry
Getreidemarkt 9/165-TC
A1060 Vienna Austria
Fax: +43 (1) 58801 15698

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

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©2001 by P. Blaha and K. Schwarz