Dear Rietvelder�s
the powder diffraction group of the German Society of Crystallography
(DGK) is organizing an international workshop on powder diffraction in
Bayreuth (Germany).
As the local organizer, I would like to make this information available
to the international powder community and I encourage anybody to
participate.
Please bring this announcement also to the attention of your colleagues.
For more information please check our website
http://www.uni-bayreuth.de/departments/crystal/workshop2000
which will be updated from time to time or contact me directly.
Best wishes,
Robert Dinnebier.
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VII. Workshop Powder Diffraction
Structure Determination and Refinement from Powder Diffraction Data
October 4. - 8. 2000
University of Bayreuth, Laboratory of Crystallography, Germany
Organized by the
Powder Diffraction Group of the German Crystallographic Society DGK
Costs:
Course Fee: DM 180.- (DM 120.- for students)
The fee includes course material, 4 lunches and refreshments.
Since the workshop will be sponsored by the IUCr, the ICDD, the DGK, the
DMG and several companies, there will be some grants available for
students (see website for details).
The language of the workshop is English.
Local Organization and Information
Robert E. Dinnebier
Laboratory of Crystallography,
University of Bayreuth,
D-95440 Bayreuth, Germany
Tel: (+49) 921 553880
Fax: (+49) 921 553770
E-mail: [EMAIL PROTECTED]
http://www.uni-bayreuth.de/departments/crystal/workshop2000
Registration
Online on the website or by E-mail/ fax
The maximum number of participants (about 100) depends on the
availability of computers. Confirmation will start after a minimum of
30 registrations.
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Faculty (as of January 2000):
Ross Angel (BGI, Germany)
Peter Bruce (St. Andrews, Scotland)
William I. F. David (ISIS, England)
Robert E. Dinnebier (Bayreuth, Germany)
Reinhard Fischer (Bremen, Germany)
Carmelo Giacovazzo (Bari, Italy)
Herman Gies (Bochum, Germany)
Jordi Rius (Barcelona, Spain)
Martin U. Schmidt (Clariant GmbH Frankfurt, Germany)
Kenneth Shankland (ISIS, England)
Sander van Smaalen (Bayreuth, Germany)
Maryjane Tremayne (St. Andrews, Scotland)
Course Description
The course is intended for beginners as well as advanced users of powder
diffraction methods in materials, geo, physical, chemical and
pharmaceutical sciences. There are no special requirements for this
course but participants should be familiar with the principles of X-ray
diffraction and crystallography. The course will provide an overview of
state of the art methods for structure determination and refinement from
powder data. After the lectures, all participants will have the
opportunity to practice on PC�s. Examples at different levels of
complexity will be provided. Your are also welcome to bring your own
datasets
The lectures and exercises include:
- Data reduction (including data from high pressure, high/low
temperature experiments).
- Peak fitting and intensity extraction (LeBail- and Pawley methods)
- Traditional structure determination methods for powders (Direct
methods, Patterson search method)
- Methods for structure determination in real space (Monte-Carlo and
simulated annealing)
- Combination of structure refinement and energy minimization
- The Rietveld method (including the use of soft constraints and rigid
bodies)
- Fourier analysis versus maximum entropy
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