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  • Improving the dielectric function
    averaging over multiple grids or a model-BSE to improve k-sampling in BSE calculations. Si 5.4300 0.5 0.5 0.0 0.0 0.5 0.5 0.5 0.0 0.5 2 cart 0.00 0.00 0.00...
    6 KB (1,027 words) - 13:47, 14 November 2019
  • Dielectric properties of Si using BSE
    = 2 EDIFF = 1.E-8 Automatic 0 Gamma 6 6 6 0 0 0 The workflow of GW0+BSE calculations is given in doall.sh and consists of the following consecutive steps:...
    6 KB (791 words) - 13:20, 14 November 2019
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