Accelerated Quantum Chemical Molecular Dynamics for Rare Earth Element（Colors-Rare Earth）

A higher version of an accelerated quantum chemical molecular dynamics program, Colors, with the extension for the f-orbital systems. The use of rare earth element is essentially important in the recent designs of catalysis, ceramics, and oxide electronics materials. This program realizes the rapid computations for f-orbital containing rare earth systems. Studies such as doped CeO2 systems, Eu-containing phosphor materials, La-containing perovskite materials are now possible with this program.