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We have used the code CPMD, Ver. 3.3, developed by J. Hutter, P. Ballone, M. Bernasconi, P. Focher, E. Fois, S. Goedecker, M. Parrinello, and M. Turckerman, at MPI für Festköperforschung and IBM Zurich Research Laboratory, 1990-1996.
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