MCGR is a Monte-Carlo program for determining the pair correlation function (pcf), G(r), of a material from the total structure factor (tsf), F(Q), by an inverse method. Some of the latest developments are reviewed here: (a) coordination constraints, (b) Gaussian smoothing, (c) refinement of a quadratic background and (d) pcf's for crystalline powders. Experience suggests that MCGR can be used as a sensitive test of data quality, allowing the rapid assessment of instrument performance.
- Computer modelling
- Diffuse scattering
- Disordered materials
ASJC Scopus subject areas
- Electronic, Optical and Magnetic Materials
- Condensed Matter Physics
- Electrical and Electronic Engineering