Fig. 1
From: A database of synthetic inelastic neutron scattering spectra from molecules and crystals
Workflow used to produce the INS spectra database. The QM8 database was used for organic molecules, and the Phonondb was used for inorganic crystals. The vibrational analysis was performed using Gaussian 09 and Phonopy codes, and the resulting INS simulation was produced using OCLIMAX software.
