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GRINSP : inorganic structure prediction



Hi,

Have a look at GRINSP (Geometrically Restrained INorganic
Structure Prediction) :
                   http://sdpd.univ-lemans.fr/grinsp/
This is a beta version 0.9, but it can already "predict" a huge
quantity of complex structures with one simple formula : SiO2.

A database of "predicted" structures will appear soon as a
subset of the COD (~200 entries for next monday or tuesday,
predicting only < 2000 A**3 cells for the moment ;-).

Have fun with GRINSP !

A. Le Bail
Universite du Maine
France






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