WIEN 2k

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

Seventh
WIEN - W O R K S H O P
within the Psik-Network

APW+lo calculations with the new WIEN2k code

September 25-29, 2001
Vienna University of Technology, Austria
Chairman: K.Schwarz (TU Wien)

Announcement

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 method and local orbitals (APW+lo) as embodied in the new WIEN2k code. With this new code a speedup of up to an order of magnitude can be gained.

For more information on WIEN2k see the WIEN2k Homepage

Topics of the workshop

Part I (mainly for new users): 26. and 27. September

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 new graphical user interface (GUI)
"Hands-on" calculations with the new WIEN2k code

Part II (for experienced researchers): 28. and 29. September

New features in WIEN2k
Results obtained by WIEN97/WIEN2k and related topics (contributions by participants)
Future perspectives of WIEN
discussions and exchange of experience with users and developers
Poster session

Programme

General Information:

Date: September 26-29, 2000

Arrival:Tuesday, September 25 (registration from 4 to 7 p.m., informal reception)

Begin of workshop: Wednesday morning (September 26 at 9 a.m.)

End of workshop: Saturday noon (September 29)

Departure: Sunday, September 30 (e.g. for APEX flights)

Social event: Friday evening, September 28, 2001

"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

Favoritenstraße 11

Computer terminals for 50 persons have been reserved.

Information about Vienna

Accommodation:

MAKE YOUR OWN RESERVATION

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 September 15, 2001

Fee:

regular fee: part I and II : 2.000 ATS (about 125 US$) or

part II only: 1.000 ATS

accompanying person: 600 ATS

TMR members (psi-k) should contact the organizer

The fee should (preferrably) be paid in cash at the workshop

Alternatively you may transfer the money by bank transfer to

Account number 025-64793

Erste Bank (BLZ 20111)

Wiedner Hauptstraße 20

A-1040 Vienna, Austria

Further information can be obtained from

Prof. K. Schwarz

Technical University Vienna

Getreidemarkt 9/156

A1060 Vienna Austria

Email: kschwarz@theochem.tuwien.ac.at

Fax: +43 (1) 58801 15698

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

[Home] [(L)APW+lo] [Features] [Hard+Soft] [Order info] [Papers] [Reg Users]