From Tue Apr  1 05:16:00 EST 1997
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Subject: 97.07.01 Full-Potential LAPW calculations with WIEN97

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:      INTERNET

                         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:
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 
                    (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. 

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 

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:

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:   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:




* 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