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The calculations have been performed with the code CPMD version 3.0, written by Jürg Hutter, Max-Plank-Institut für Festkörperforschung, Stuttgart (1995), with the help of the group for numerical intensive computations of IBM Research Laboratory Zürich and the Abteilung Parrinello of MPI Stuttgart.
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We checked that the use of the Γ point only in a 64-atoms supercell of crystalline GaAs provides a Born effective charges only 1% larger than the value at full convergence in the Brillouin zone integration.
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18
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