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  • FALSE. LCHARG = .FALSE. ISMEAR = -5 SIGMA = 0.01 EDIFF = 1e-6 ALGO = Fast NPAR = 2 Monkhorst Pack 0 gamma 16 16 8 0 0 0 To run this example, execute the
    3 KB (565 words) - 13:25, 14 November 2019
  • FALSE. LCHARG = .FALSE. ISMEAR = -5 SIGMA = 0.01 EDIFF = 1e-6 ALGO = Fast NPAR = 2 Graphite: Monkhorst Pack 0 gamma 16 16 8 0 0 0 Graphene: Monkhorst Pack
    4 KB (662 words) - 13:25, 14 November 2019
  • FALSE. LCHARG = .FALSE. ISMEAR = -5 SIGMA = 0.01 EDIFF = 1e-6 ALGO = Fast NPAR = 2 Graphite: Monkhorst Pack 0 gamma 16 16 8 0 0 0 Graphene: Monkhorst Pack
    4 KB (630 words) - 13:25, 14 November 2019