RMCProfile can determine local structure and average atomic arrangements in a range of materials, including amorphous and polycrystalline materials, using a Reverse Monte Carlo algorithm.
The current version of RMCProfile results from a collaboration between scientists at ISIS, SNS, University of Cambridge, University of Oxford, Queen Mary University of London & NIST
- RMCProfile website
- RMCProfile information from NIST
- Publication: V. Krayzman, I. Levin, J. C. Woicik, Th. Proffen, T. A. Vanderah, M. G. Tucker, “A Combined fit of total scattering and extended X-ray absorption fine structure data for local-structure determination in crystalline materials,” J. Appl. Cryst., 42 , 867 (2009)
To see what versions of RMCProfile are available type
module avail rmcprofile
To see what other modules are needed, what commands are available and how to get additional help type
module help rmcprofile
To use RMCProfile, include a command like this in your batch script or interactive session to load the rmcprofile module:
module load rmcprofile
Be sure you also load any other modules needed, as listed by the
module help rmcprofile command.