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Advances in Condensed Matter Physics
Volume 2015, Article ID 878463, 7 pages
Research Article

A Process for Modelling Diffuse Scattering from Disordered Molecular Crystals, Illustrated by Application to Monoclinic 9-Chloro-10-methylanthracene

School of Physical, Environmental and Mathematical Sciences, The University of New South Wales, Canberra, ACT 2600, Australia

Received 24 May 2015; Accepted 7 October 2015

Academic Editor: Sergei Sergeenkov

Copyright © 2015 D. J. Goossens. This is an open access article distributed under the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.

Supplementary Material

The supplementary material consists of an archive containing the complete CMA simulation, including all required input files, example outputs, and the toolbox programs (Fortran) needed to run the simulation and to develop/build the input files. It also contains source code for the executable files used, including ZMC, DZMC and the toolbox programs for making z-matrices and so on. It contains some documentation for ZMC and a file called ‘Building_the_model.pdf’ which describes in detail how to use the files and how the simulation was assembled, and which may be thought of as a ‘How-to’ for the simulation.

  1. Supplementary Material 1
  2. Supplementary Material 2