Documentation

 

Documentation

 

The PDF files below contain previous relevant FPSchool lectures and exercises. These lectures and exercises conform different topics covered along the precedent FPschools, this information is included here for completeness. The proposed order is suggested from a pedagogical point of view, however most of the lectures are self-consistent and therefore it could be consulted independently.
 

 Lectures:

 1)    Introduction to FullProf Suite by J. Rodríguez-Carvajal
 2)    Introduction to WinPLOTR by T. Roisnel and J. Rodríguez-Carvajal
 3)    Indexing powder diffraction data by T. Hansen
 4)    Ab initio structure determination by P. Bordet
 5)    The Rietveld Method by J. Rodríguez-Carvajal
 6)    Strategy for Rietveld Refinement by C. Ritter
 7)    Post refinement calculation by P. Bordet
 8)    The peak shape of Bragg reflections in powders by J. Rodríguez-Carvajal
 9)    Magnetic Diffraction by L.C. Chapon
10)   Propagation vector determination by B. Ouladdiaf and O. Fabelo
11)   Introduction Magnetic Structures Determination by J. Rodríguez-Carvajal
12)   Introduction to the use of the program BASIREPS by C. Ritter
13)   TOF diffractometers by L.C. Chapon

14)   Rigid Bodies in FullProf by J. Rodríguez-Carvajal
15)   Study of Micro-Structural Effects using Powder Diffraction by J. Rodríguez-Carvajal
16)  
Bond Valence Energy Landscape Calculations by J. Rodríguez-Carvajal

 

                        Download a ZIP file with all lectures here

Exercises:

 0)     WinPLOTR_windows (introducction to WinPLOTR)
 1)     Convert-CIFtoPCR (connected with block exercise 7)
 2)     Indexing (connected with talks 3 and 10)
 3)     Crystal structure determination of Y2O3 (connected with talks 3, 4, 5 and 6). Tutorial
 4)     Rietveld refinement of Co-doped YBCO (connected with talks 3, 4, 5 and 6). Tutorial
 5)     Instrumental Resolution Function CW (connected with exercise 7)
 6)     Instrumental Resolution Function TOF (connected with talk 13)
 7)     Quantitative Analysis (connected with talks 5, 6 and 7)
 8)     FullProf Rigid-Bodies (connected with talk 14)
 9)     Simulated Annealing on Organic Compounds
10)    Introduction to Magnetic Structure determination (connected with talks 9 to 11). Tutorial
11)    Crystal and magnetic structures of Y2Ba2Mn4O11 (connected with talks 5, 6, 10, 12)
12)    Different examples of Magnetic Structures (connected with talks 9 to 11)
13)    Symmetry Modes (see “Bilbao Crystalographic Server”  http://www.cryst.ehu.es/). Tutorial
14)    Microstructure studies (connected with talk 15)
15)    CRYSCALc

                    Download a ZIP file with all exercises here

 

Essencial links

 

FullProf Suite
Crystallographic tools for Rietveld, profile matching & Integrated intensity refinements of X-Ray and/or neutron data

BCS

Bilbao Crystallographic Server of crystallographic symmetry information

ISOTROPY Software Suite

The ISOTROPY software suite is a collection of software which applies group theoretical methods to the analysis of phase transitions in crystalline solids.

IUCR

International Union of Crystallography

 

 

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