DFTB: Evaluation of periodic and non-periodic systems

Both periodic and non-periodic systems can be treated in a nonSelf-consistent and Self Consistent Charge method. Third order is not supported for periodic systems. Single point, geometry optimization (via QuasiNewton method), molecular dynamics, and phonons evaluation are available with the periodic code. Geometry optimization can be performed on the lattice parameters. Band structure and density of states are provided, and easily accessible through the GUI Interface.

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