Programme


 

Tools for the Analysis and Interpretation of Experimental Data

A Joint CCP3 and SRRTNet Training Workshop
13th-15th November 2001
CLRC Daresbury Laboratory

Tuesday 13th November
 
09:00 - 10:00 Welcome and Opening Remarks
09:15 - 10:15 Surface X-Ray Diffraction - The ROD Package E. Vlieg (Univeristy of Nijmegen, The Netherlands)
10:15 - 11:15 Auger and Photoelectron Diffraction - The prAuger Package M. de Pauli (University of Milwaukee-Wisconsin, USA)
11:15 - 11:30 Coffee
11:30 - 12:30 Photoelectron Diffraction - MSCD and EDAC F. Javier Garcia de Abajo (Centro Mixto CSIC-UPV/EHU, Spain)
12:30 - 1:30 Lunch
Afternoon Demontsrations

Wednesday 14th November
 
09-00 - 10:00 Methods of Calculating Surface Phonon Modes G.P. Srivastava (University of Exeter, UK)
10:00 - 11:00 Ab initio Local Basis Set Methods - The CRYSTAL Package N. M. Harrison (Imperial College, London UK)
11:00 - 11:15 Coffee
11:15 - 12:15 Ab initio Plane Wave Methods - The CASTEP Package K. Refson (Rutherford Appleton Lab, UK)
12:15 - 1:15 Lunch
1:15 - 2:15 Optional Tour of the Laboratory
Afternoon Demonstrations

Thursday 15th November
 
09:15 - 10:15 X-Ray Absorption - The FEFF Package A. Ankudinov (University of Washington, USA)
10:15 - 10:30 Coffee
10:30 - 11:30 Simulation of Scanning Tunnelling Microscopy A. Fisher (University College London, UK)
11:30 Close

The afternoon sessions will feature hands on demonstration in the use of these (and other codes) and will make extensive use of the DL_Visualise package.

Conference Administrator: Mrs. Shirley Miller, CLRC Daresbury Laboratory, Daresbury, Warrington, Cheshire, WA4 4AD, UK. Phone: +44 1925 603240 Fax: +44 1925 603634 E-mail:  s.miller@dl.ac.uk