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Programme:

Monday 16th October, 2017

09:00 - 10:00  Registration

10:00 - 12:00 

School Presentation by Juan Rodriguez-Carvajal (ILL) 

General introduction to the programs of the FullProf Suite. Web site: downloading the suite and individual programs. The use of the FPS Toolbar for accessing the programs. Consulting the manuals and documentation, etc…

12:00 - 14:00  Lunch (ILL Canteen)

14:00 - 15:30 

Thierry Roisnel (SPM-ISCR, CNRS)

WinPLOTR program (visualising diffraction patterns, peak detection and peak fit, exporting background, visualisation of 3D plots, 2D detectors, etc.)

15:30 - 16:00  Coffee break

16:00 - 16:30   

Thomas Hansen (ILL)

Indexing powder diffraction patterns (with the indexing programs: DICVOL04, TREOR-90, etc).

Clemens Ritter (ILL)

Strategy for Rietveld refinements: an overview from data acquisition to a full data process using FullProf suite

16:30 - 18:15 

Pierre Bordet (Institut Néel, CNRS)

Ab initio structure determination using powder diffraction. Direct methods, Fourier methods, Charge Flipping, real space methods (Monte Carlo and simulated annealing).

 

18:30 - 20:30  Welcome reception: Wine and Cheese buffet and Poster Session

 

Tuesday 17th October, 2017

09:00 - 10:15 

Juan Rodriguez-Carvajal (ILL)

Introduction to the mathematical description of powder diffraction patterns. Peak shapes. Sample contribution to broadening (microstructure). Brief introduction to the Rietveld method. Structural models: the expressions of structure factors in the case of simple crystal structures and magnetic structures.

10:15 - 10:45  Coffee break

10:45 - 12:30 Practical session

 Proposed exercises:

Introduction to WinPLOTR (number 0)

Convert-CIF to PCR (number 1)

Instrumental Resolution Function CW (number 5)

12:30 - 14:00  Lunch (ILL Canteen)

14:00 - 15:00

Juan Rodriguez-Carvajal (ILL)

Magnetic structures. Description of magnetic structures using the formalism of propagation vectors. Symmetry analysis: Magnetic Space Groups and Representation theory.

15:00 - 16:00  Practical session

Proposed exercises:

Crystal structure determination of Y2O3 (number 3)

Introduction to Magnetic Structure determination (number 10)

16:00 - 16:30  Coffee break

16:30 - 17:30 

Clemens Ritter (ILL)

The program BasIreps, use and interpretation of the output files.

Juan Rodriguez-Carvajal (ILL)

Utilities for magnetic space groups.

17:30 - 18:30  Practical session

Proposed exercise:

Rietveld refinement of Co-doped YBCO (number 4)

Introduction to Magnetic Structure determination (number 10) (continuation)

 

Wednesday 18th October, 2017

09:00 - 10:15

Juan Rodriguez-Carvajal (ILL) 

Microstructural studies, from mathematical foundations to real examples.

10:15 - 10:45  Coffee break

10:45 - 12:30  Practical session 

Proposed exercise:

Rietveld refinement of Co-doped YBCO (number 4) (continuation)

Study of the micro-structural effects by powder diffraction (number 14)

12:30 - 14:00  Lunch (ILL Canteen)

14:00 - 15:30 

Juan Rodriguez-Carvajal (ILL)

Overview of Symmetry Modes refinements using FullProf + AMPLIMODES (BCS)

15:30 - 16:00  Practical session

 Proposed exercises:

Symmetry Modes (number 13)

Simulated annealing on organic compounds (number 9)

Study of the micro-structural effects by powder diffraction (number 14) (continuation)

16:00 - 16:30  Coffee break

16:30 - 17:00 

Juan Rodriguez-Carvajal (ILL)

Bond-Valence Energy-landscape calculation: Ionic conduction diffusion paths.

17:00 - 18:30  Practical session (continuation)

Proposed exercises:

Example of Ionic conduction

Simulated annealing on organic compounds (number 9) (continuation)

Different examples of Magnetic Structures (number 12)

 

19:00   Tram to restaurant - Meeting point in front of the Chadwick amphitheatre (entrance hall, ILL 4 building)

19:45 - 23:00  School Dinner

 

Thursday 19st October, 2017

Specialised topics 

9:00 - 10:15   

Juan Rodriguez-Carvajal (ILL)

Introduction to the refinements of layered compounds powder diffraction patterns: the program Faults.

10:15 - 10:45  Coffee break

10:45 - 12:30  Practical session

Proposed exercises:

Example of refinement of Inorganic layered compounds

Study of the micro-structural effects by powder diffraction (number 14) (continuation)

Different examples of Magnetic Structures (number 12) (continuation)

12:30 - 14:00  Lunch (ILL Canteen)

14:00 - 16:30  Interactive session

Along this Interactive session, some brief presentation will be carried out in order to explain/clarify specific details or to address general difficulties or doubts (practical and/or theoretical). Depending on the demand of attendees, during this session useful tools on other topics, for instance magnetic structures, symmetry modes, etc., may also be presented.

16:00 - 16:30 Coffee break

16:30 - 18:30  Interactive session (continuation)

 

Friday 20th October, 2017

9:00 - 10:30    Interactive session

Along this Interactive session, some brief presentation will be carried out in order to explain/clarify specific details or to address general difficulties or doubts (practical and/or theoretical). Depending on the demand of attendees, during this session useful tools on other topics, for instance magnetic structures, symmetry modes, etc., may also be presented.

10:30 - 11:00  Coffee break

11:00 - 11:45  Visit of the ILL instruments (Guide Hall)

11:45 - 12:15  Feedback and closing session