Crystal structure prediction CCDC blind tests

The state of the art in crystal structure calculation is tested every few years in the crystal structure prediction blind tests organised by the Cambridge Crystallographic Data Centre (CCDC). As of the... 

Several examples of the MOLPAK + WMIN structure prediction procedures are given in the next sections. The problem of identifying the correct crystal structure from literally thousands of possible structures remains. The which is the best/correct solution was an important topic during the 1999 and 2001 CCDC sponsored blind tests [12]. Calculated lattice energies are adequate in many cases, but in others small lattice energy differences make it difficult to separate the wheat from the chaff. Other criteria, such as good or bad patterns of intermolecular contacts in comparison with known crystal structures could be helpful. 

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