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We have used the code CPMD, versions 3.0, 3.3 and 3.5, developed by at MPI fur Festkörperforschung and IBM Research Laboratory
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We have used the code CPMD, versions 3.0, 3.3 and 3.5, developed by J. Hutter et al., at MPI fur Festkörperforschung and IBM Research Laboratory (1990-2001).
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27
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85099489610
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CC = 1.254
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CC = 1:254.
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28
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85099489950
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2 = 1.335
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2 = 1:335.
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29
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85099490478
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BB = 1.403
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BB = 1:403.
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