Representational Analysis of Extended Disorder in Atomistic Ensembles
Journal Reference: J. Appl. Cryst. 48, 1560-72 (2015)
This page serves as a repository for all of the necessary computer code (written in C) to extract quantitative information regarding structural disorder in big boxes (atomistic ensembles) through the use of a locally symmetry adapted tight binding basis.
To use the code, download the source. Modify Makefile to match the local compiler settings.
Build the executables using "make", and then run rmc-symmetry on each of the datasets. More complex problems may require you to use the individual transform/rebuild routines.
The included example demonstrates the format of the necessary input files.