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85034136928
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We also see a strong configuration dependence in the gap. For example, a 32-atom supercell produced a zero gap in the CuPt structure and 0.5 eV gap in the fee structure.
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For silicon, the LDA band gap is smaller than the experimental value by 0.7 eV. The calculated direct absorption in silicon at 2.4 eV shown in Fig. 3 is about 0.7 eV lower than the corresponding experimental value.
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