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Density Functional TheoryΒΆ

  • Brillouin zone sampling
    • Monkhorst-Pack
    • Chadi-Cohen
    • Special points in the Brillouin zone
  • Maximally localized Wannier functions
    • Introduction
    • The Wannier class
  • Density of states
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  • Band gap
  • STM images
  • Bader Analysis

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