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23
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33744631952
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note
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The parameters used for A1 (111) are an 9+6 supercell (nine layers of A1, and six equivalent layers of vacuum) with 36 reduced k points. The corresponding values for A1 (100) and A1 (110) are respectively a 8+6 cell with 45 k points and a 8+8 cell with 48 k points.
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25
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0001169915
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M. Heinrichsmeier, A. Fleszar, W. Hanke, and A.G. Eguiluz, Phys. Rev. B 57, 14 974 (1998); I.D. White, R.W. Godby, M.M. Rieger, and R.J. Needs, Phys. Rev. Lett. 80, 4265 (1998).
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4243732923
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M. Heinrichsmeier, A. Fleszar, W. Hanke, and A.G. Eguiluz, Phys. Rev. B 57, 14 974 (1998); I.D. White, R.W. Godby, M.M. Rieger, and R.J. Needs, Phys. Rev. Lett. 80, 4265 (1998).
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Godby, R.W.2
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28
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33744576057
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note
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For the bulk calculation of the Fermi energy, we use a cutoff of 36 Ry and 570 reduced k points.
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31
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32
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0000285495
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C.J. Fall, N. Binggeli, and A. Baldereschi, Phys. Rev. B 61, 8489 (2000); 65, 045401 (2001).
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Fall, C.J.1
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0000285495
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C.J. Fall, N. Binggeli, and A. Baldereschi, Phys. Rev. B 61, 8489 (2000); 65, 045401 (2001).
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35
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0003924487
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Masson & Cie, Paris
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E. Durand, Électrostatique (Masson & Cie, Paris, 1966), Vol. I-II.
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Durand, E.1
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38
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33744686066
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note
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Contrary to some applications of the charge simulation method, the surface charge densities calculated here are real.
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