VASP
From: Prof. Jürgen Hafner [
]
Sent: 10 July 2003 13:43
To: 
Subject: Proposal for a VASP Hands-on Workshop
Dear friends,
Please find below a proposal for a Hand-on Workshop for VASP in February 2004.
The proposal is actually almost the same as for the workshop held in February
2003.
I shall add only a few remarks:
- We had 40 places available - but the workshop was oversubscribed more than
three times (we had 130 applicants).
- All the ESF money was spent for supporting participants, all expenses for
the organization, the distributed materials were covered by our institute.
- Participants whose institution was not already a licensed VASP users got a
free licence upon request.
With best regards,
Jürgen Hafner
Institut für Materialphysik and
Center for Computational Materials Science
Universität Wien
Sensengasse 8/12
A-1090 WIEN, Austria
Tel.: +43-1-4277-51400
FAX : +43-1-4277-9514
Email:
http://cms.mpi.univie.ac.at
Proposal for a hands-on tutorial course on the VASP code for ab-initio
simulations of materials properties and processes
Organization:
Research Center and Science College "Computational Materials Science" (CMS)
Universitaet Wien und Technische Universitaet
Wien
(Austria),
in cooperation with Materials Design Sarl, LeMans (France)
Organizers:
Juergen Hafner
Georg Kresse 
Andreas Eichler 
Robert Lorenz 
Robin Hirschl 
Erich Wimmer scienceqmaterialsdesign.com
Postal address: Institut fuer Materialphysik and Center for Computational Materials
Science,
Universitaet Wien
Sensengasse 8/12, A-1090 Wien
Tel.: +43-1-4277-51401
Fax : +43-1-4277-9514
Scientific scope of the workshop:
The Vienna ab-initio simulation program VASP based on either pseudopotential or projector-augmented-wave (PAW) approaches has established itself as one of the most efficient and widely used tools for performing ab-initio density functional calculations. Currently about 230 academic and industrial research groups worldwide are using VASP for their work.
Although the program is well documented, the access to these techniques is sometimes found a bit difficult by people with no background in density-functional calculations. The purpose of this workshop is to offer an introduction to the fundamentals of ab-initio density functional theory, of pseudopotentials, PAW's and large scale calculations, as well as a practical hands-on training to young students and non-specialists. In addition there will be short presentations of leading-edge applications.
Particular emphasis will be laid on a thorough discussion of the problems that can be solved directly with the basic code (and the tools implemented in it) and on the definition of the interface to other tools. The hands-on training will be based on a LINUX platform (Pentium III PC's with 256MB memory), but an introduction to the use of VASP on a NT-Windows platform, using the MEDEA environment developed by Materials Design will be offered as well.
The speakers will be mostly members of the organizing team, plus curent VASP users presenting selected applications.
Attendance:
The participants are expected to come from areas where the used of DFT techniques
is not yet current practice: materials engineering, mineralogy, geophysics,
.... but also from experimental physics and chemistry. The number of particpants
will be limited to about forty (eventually extendable to fifty, depending on
the availability of the
necessary hardware).
Budget:
We ask for an ESF-Ψk funding of 12 kEURO. This sum will be used to cover the local expenses of the participants (i.e. ~300 EURO per head). Travel expenses will be at the charge of the participants, all expenses for the organizations and for printing lecture notes will be at the charge of the CMS.
Location:
University of Vienna
Wien, July 10, 2003
Juergen Hafner