[no subject]

I vote for energy minization in solid state. Use your powder to get the lattice parameters, find a space group, solve the structure. So far so normal, but then minimize the total energy instead of running a Rietveld refinement. Accuracy of your results will be well comparable to single crystal CW neutron refinement. It is marvelous to analyze hydrogen bonding in full details in a powder study ...
A reasonable limit is ~1000 atoms per cell, though strongly depending on your computer and/or patience. 

Lubo




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