CCL Home Page
Up Directory CCL mess0027
Message 27
From pblaha@homer.theochem.tuwien.ac.at Tue Apr  1 05:16:00 EST 1997
From: <pblaha@homer.theochem.tuwien.ac.at>
Message-Id: <9704010944.AA26138@homer.theochem.tuwien.ac.at>
Subject: 97.07.01 Full-Potential LAPW calculations with WIEN97

To: jkl@ccl.net
Date: Tue, 1 Apr 1997 11:44:01 +0200 (METDST)

To all who are interested: 

below you will find the first announcement for the next workshop 
(see also our www page for updates)
I hope that we will see many of you in Vienna 

Karlheinz Schwarz and Peter Blaha
-- 
 Prof. Karlheinz Schwarz, Inst.f.Techn.Elektrochem., Techn.Univ. Wien
       A-1060 Vienna, Getreidemarkt 9 /158, Austria
 Phone: (+43-1) 588 01 Ext:5188   FAX: (+43-1) 586 89 37
 Email: kschwarz@email.tuwien.ac.at      INTERNET
 WWW:     http://www.tuwien.ac.at/theochem/
 ____________________________________________________________________



                                 Third 
                         HCM - W O R K S H O P 
        Full-Potential LAPW calculations with the new WIEN97 code
                                    
                            July 1-5, 1997  
                Vienna University of Technology, Austria
                      Chairman: K.Schwarz (TU Wien)

                           First Announcement

This third workshop is concerned with recent progress in density functional
calculations using the full-potential Linearized Augmented Plane Wave
(FP-LAPW) method as embodied in the new WIEN97 code. This new software 
package will beome available at the workshop.

New features of WIEN97 package (with respect to WIEN95
==============================

  * graphical user interface (very user friendly)
     o  structure file generator
     o  automatic generation of "inst-file"  
     o  on-line help menue
     o  guided performance of tasks (band structure, density of states, 
           spectra, etc ...)
  * automatic generation of local rotation matrix
  * speed-up of code
  * iterative diagonalization
  * k-point parallelization (including heterogeneous workstation clusters)
  * spin-orbit coupling 
  * X-ray emission and absorption spectra
  * optical properties
  * automatic geometry optimization (using forces)
  * MD (limited molecular dynamics)
  * X-ray structure factors
  * new GGA potential (Perdew-Burke-Ernzerhof 96)

Topics of workshop
==================

  * Introduction to the LAPW method
  * Concepts of the new WIEN97 version
  * Use of the new graphical user interface
  * Additional features in WIEN97
  * "hands-on" calculations with the new WIEN97 code
  * Results obtained by WIEN95/WIEN97 
      (including contributions from the participants)
  * Posters 

 
>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>> WWW <<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<
see our World Wide Web Home Page:    http://www.tuwien.ac.at/theochem/
for continually updated information on the workshop

General Information:
====================

Date:          July 1-5, 1997

Arrival:            Tuesday,  July 1  
                    (registration from 4 to 7 p.m., informal reception)
Begin of workshop:  Wednesday morning (July 2 at 9 a.m.)    
End of workshop:    Saturday noon (July 5)                
Departure:          Sunday, July 6 (for APEX flight users)  

Social event:       July 4, 1997, Friday evening 
                    "Heuriger"  
                    (Viennese wine tavern; included in registration fee)

Conference site: The conference will take place at the TU Wien 
                 1040 Vienna, Wiedner Hauptstr.8-10, 
                 second floor (yellow tower, lecture hall 8)
Computer terminals for 30 persons have been reserved. 

Accommodation:
==============
The workshop is held in the week directly after university and schools have 
finished. Therefore it is highly recommended to make hotel reservations 
as soon as possible. 

---------------->  MAKE YOUR OWN RESERVATION! <-------------------

Below is a list of a few recommended hotels/accomodations 
of various price categories: 

Hotel:              Address          Tel:           Price per night 
                                                    (Austr.Schilling)

Pensionhotel        Getreidemarkt 5 +43-1-58838-0           980
Schneider           A-1060 Vienna   +43-1-58838-212 (Fax)

Hotel               Wiedner         +43-1-5051817           850
Attache             Hauptstr.71     +43-1-5051817 232 (Fax)
                    A-1040 Vienna

Quisisana           Windmuehlg.6    +43-1-587 33 41         320
                    Hauptstr.71     +43-1-587 7156-33 (Fax)
                    A-1060 Vienna

Pension             Theobaldg.15    +43-1-587 85 05         400
Mozart              A-1080 Vienna   +43-1-587 85 05 (Fax)   500
                              
Pension             Josefsgasse 7   +43-1-405 72 12         400
Felicitas           A-1080 Vienna   (no Fax)                   
                              
Seminarhotel        Josefsgasse 7   +43-1-813 15 31-49      330
Springer-Schloessl  A-1120 Vienna   +43-1-813 15 31 62 (Fax)    
                    near subway U4 (station Schoenbrunn) 
                    Note: for students a valid student's ID is required
                    contact Mrs. Monika Lendner and mention 
                    the workshop at TU Wien
                              
Youth Hostel        A-1070 Vienna   +43-1-523 63 16         150
                    Myrthengasse 7  +43-1-523 58 49 (Fax)

For further addresses contact the organizer.

------------------->   Please register soon!  <--------------------- 

Scientific programme: 
=====================

Participants are encouraged to submit contributions in the form of 
talks or posters to the topic:
     Electronic structure calculations using the full-potential linearized 
augmented plane wave (LAPW) method and the WIEN95/97 code (or related topics). 

for details see www-page: 
    http://www.tuwien.ac.at/theochem/wien97/ws97/

Deadlines: please register as soon as possible but before June 1, 1997
==========                 ___________________            ============ 

The registration form (below) should be sent by email or fax or 
mailed to

Prof. K. Schwarz
Technical University Vienna
Getreidemarkt 9/158
A-1060 Vienna Austria
Email: kschwarz@email.tuwien.ac.at   Fax: +43 (1) 5868 937

------------------------------------------------------------------------

Fee:   regular fee                2.000 AS     
====   accompaning persons:         600 AS
       HCM members (psi-k) should contact the organizer

The fee should (perferrably) be paid in cash at the conference

Alternatively you may transfer the money by bank transfer to 
     Account number 025-64793  
     Erste Oesterr-Spar-Casse Bank (bank code 20111)
     Wiedner Hauptstrasse 20
     A-1040 Vienna, Austria

_________________________________________________________________
_________________________________________________________________

               Registration form

Mail or fax to 

Prof. K. Schwarz
Technical University Vienna
Getreidemarkt 9/158
A-1060 Vienna, Austria

Fax: +43 (1) 5868 937
_________________________________________________________________

Name and first name:

Professional title:

Permanent Address:


Phone:

Fax:

Email:


* I plan to present a contrbution            yes (  )       no (  )
     I prefer  poster  (   )    or oral presentation (    )
     Title               __________________________________________________
                         __________________________________________________
                         __________________________________________________
                         __________________________________________________
                         __________________________________________________

* I will be accompanied by ..........  persons.
* I am member of the (psi-k) HCM network   yes (  )   no (  ) 
* payment will be  ( )   in cash
                   ( )   by money transfer
Date and Signature
 

------------------------------------------------------------------------



[][][][][][][][][][][][][][][][][][][][][][][][][][][][][][][][][][][][]

 

Modified: Sat Apr 19 04:51:58 1997 GMT
Page accessed 6585 times since Sat Apr 17 21:19:14 1999 GMT