CCL: Crystal Morphology Software

[Aaron Deskins <ndeskins*o*purdue.edu>]

 Sent to CCL by: Aaron Deskins [ndeskins*o*purdue.edu]
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 Hello fellow CCL'ers,
  I work on modelling surfaces using periodic DFT. I have been
 thinking
 of crystal morphology and its relationship to surface area stability.
 There is a recent paper (Journal of Catalysis 222(2004) 152-166) that
 calculates some crystal shapes and has some nice pictures of the work.
 The idea is that the crystal tends to minimize the overall surface
 energy, and that the Gibbs-Curie-Wulff law can tell you the crystal
 morphology. Unfortunately the details of finding the crystal shape are
 left out of the paper.
   Is there software (hopefully free) that can be used to calculate the
 crystal shape/morphology from the surface energy of different surfaces?
 I can calculate the surface energy using my DFT code, and it would be
 nice to know the relative frequency of the different surfaces based on
 the energy calculations.
 Thank you,
 Aaron Deskins
 Chemical Engineering
 Purdue University