The WURM project
The WURM project is a database of computed Raman and infrared spectra and other physical properties for minerals. The calculations are performed within the framework of the density-functional theory and the density-functional perturbation theory. The database is freely-available for teaching and research purposes and is presented in a web-based format. It provides the crystal structure, the parameters of the calculations, the dielectric properties, the Raman spectra with both peak positions and intensities and the infrared spectra with peak positions for minerals. The web presentation is user friendly and highly oriented towards the end user, with a strong educational component in mind. A set of visualization tools ensure observing the crystal structure, the vibrational pattern, and the different spectra.