Recent content by discoduck

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    What Are KPOINT Grids and Their Importance in Surface Calculations?

    What type of grid would I need to use for a surface calculation i.e. bulk structure next to a vacuum?
  2. D

    What Are KPOINT Grids and Their Importance in Surface Calculations?

    Could somebody explain to me the concepts of KPOINT grids please. I know what k-space/reciprocal space is What is the difference between an nxnxn grid and a nxnx1 grid for example, and why is it important to use even or odd grids for specific calculations
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