Data associated to the article "DFT-based Polarizable Ion Models for Molten Rare-earth Chlorides: from Lanthanum to Europium"

Contains input file used to generate the results of the article: DFT-based Polarizable Ion Models for Molten Rare-earth Chlorides: from Lanthanum to Europium Kateryna Goloviznina, Maria-Chiara Notarangelo, Julien Tranchida, Emeric Bourasseau, Mathieu Salanne The files data.inpt and runtime.inpt are used to simulate the system using the software MetalWalls (available at https://gitlab.com/ampere2/metalwalls)