Advanced Software Tools for Single Crystal Data Analysis

The two-day workshop will showcase the structural study of Bragg and diffuse scattering from single crystal neutron diffraction using advanced software tools in JANA2020 and RMC-discord. Topical lectures will cover concepts and applications of symmetry relationship to solve and refine complex crystal structures from Bragg diffraction, including twinning, modulated structure associated with local ordering, charge and magnetic phase transitions using the JANA2020 program. A new program rmc-discord recently developed for Reverse Monte Carlo refinement of diffuse scattering from three-dimensional single crystals data will be introduced for the first time. Hands-on tutorials on JANA2006 and 3D RMC refinements will be provided. Additional instructions will show how data can be further analyzed in other programs. Both software programs will be available for download.

Confirmed Speakers:Â Vaclav Petricek (Institute of Physics, Czech Republic);Â Margarida S. Henriques (Institute of Physics, Czech Republic);Â Zachary Morgan, Neutron Scattering Division, ORNL;Â Feng Ye, Neutron Scattering Division, ORNL;Â Xiaoping Wang, Neutron Scattering Division, ORNL