FAULTS: a program for refinement of structures with extended defects

Abstract

TheFAULTSprogram is a powerful tool for the refinement of diffraction patterns of materials with planar defects. A new release of theFAULTSprogram is herein presented, together with a number of new capabilities, aimed at improving the refinement process and evolving towards a more user-friendly approach. These include the possibility to refine multiple sets of single-crystal profiles of diffuse streaks, the visualization of the model structures, the possibility to add the diffracted intensities from secondary phases as background and the newDIFFaX2FAULTSconverter, among others. Three examples related to battery materials are shown to illustrate the capabilities of the program.