Second 2025 Edition of the School on Neutron Diffraction Data Treatment using the FullProf Suite

Documentation

The PDF files below contain the relevant FPSchool 2023 lectures and exercises. 
 

 Lectures:

Talk	Title	Presenter
Talk 1	Neutron diffraction for magnetic structure determination	T. Hansen
Talk 2	Introduction to the FullProf suite. Options for analyzing magnetic structures in FullProf	J. Rodríguez-Carvajal
Talk 3	Symmetry description of magnetic structures: Magnetic Space Groups	J.M. Pérez-Mato
Talk 4	Hands-on demonstration of Bilbao Crystallographic Server	J.M. Pérez-Mato
Talk 5	Representation analysis vs. invariant magnetic symmetry	J.M. Pérez-Mato
Talk 6	Neutron Powder Diffraction for Studying Magnetic Structures	J. Rodríguez-Carvajal
Talk 7	Indexing magnetic reflections in powder diffraction using the k-search program	J. Rodríguez-Carvajal, T. Hansen
Talk 8	BasIReps	C. Ritter
Talk 9	Strategies for Structural Refinement using the Rietveld method	C. Ritter
Talk 10	Simulated annealing on powder (integrated intensities and full profile approach) and single crystal	J. Rodríguez-Carvajal
Talk 11	Description of MagCif and Magndata database	J.M. Pérez-Mato
Talk 12	Hands-on demonstration of ISODISTORT	J.M. Pérez-Mato, J. Rodríguez-Carvajal, O. Fabelo
Talk 13	Magnetic super-space symmetry	J.M. Pérez-Mato
Talk 14	TOF neutron powder diffraction for magnetic structures	J. Rodríguez-Carvajal
Talk 15	An overview of the future FullProf suite	N. Katcho

                        

 

Exercises:

Tutorial	Title
Tutorial 1	Use of FullProf for Single crystals: hybrid compounds
Tutorial 2	Magnetic structure of LaMnO3 Pbnm k=[0,0,0]: options for treating the data
Tutorial 3	Magnetic structure of Ho2BaNiO5 Pnma k=[1/2,0,1/2]: options for treating  the data
Tutorial 4	Magnetic structure of DyFeWO6 Pna21 k=[0,1/2,1/2] using symmetry modes from ISODISTORT
Tutorial 5	Different ways of treating the incommensurate magnetic structure of LiFeAs2O7
Tutorial 6	Magnetic structure of DyMn6Ge6 using super-space symmetry: simulated annealing and Rietveld refinement
Tutorial 7	Magnetic structure of DyFeO3 using representation analysis and Magnetic super-space groups, third-order harmonics
Tutorial 8	Magnetic phase transitions in Ho2BaCuO5: sequential refinements using symmetry modes.

                    

 

Essential 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

IUCr Commission on Magnetic Structures

The primary purpose of this commission is to facilitate research on the discovery and communication of magnetic structures in magnetically ordered materials.