Infrared peak splitting from phonon localization in solid hydrogen

Dataset contain CASTEP input and output for calculations of localization of phonons in C2c hydrogen under pressure. Also contains codes written in the project to extend the lattice dynamics calculation to large disordered unit cells representing post-DISREC hydrogen-deuterium mixtures as reported by Silvera in PRL (http://journals.aps.org/prl/abstract/10.1103/PhysRevLett.116.145501).