Citing SOD

If you use SOD in your research, please cite the original SOD paper, which describes the underlying methodology:

Grau-Crespo, R., Hamad, S., Catlow, C. R. A., & de Leeuw, N. H. (2007). Symmetry-adapted configurational modelling of fractional site occupancy in solids. Journal of Physics: Condensed Matter, 19(25), 256201. doi:10.1088/0953-8984/19/25/256201

Applications of the method that may be useful as worked references are listed with the corresponding worked examples in Examples.

Contact

Ricardo Grau-Crespo (r.grau-crespo@qmul.ac.uk).

Source code, releases and issue tracker: github.com/rgraucrespo/sod.