has been mostly absent in the area of organic crystal structures. Other than relatively small DFT-D optimised test sets (< 60 structures) , the largest collection of published DFT-D optimised organic crystal structures is likely from the work of van de Streek & Neumann wherein they resolved a total of 440 crystal structures. However, usage of their database is complicated by the fact that they utilised different DFT functionals in the two publications (PW-91 in the first and PBE in the second ). Additionally, since the focus of their work was on validating the use of DFT-D for resolving crystal geometries, only the relaxed crystal geometries were reported without their corresponding optimised energies. In their study of polymorphism, Cruz-Cabeza et al. also conducted large-scale DFT-D optimisation on 446 organic crystals , but the results of their calculations were not published as a database.