Density Functional Theory

• Brillouin zone sampling
  • Monkhorst-Pack
  • Special points in the Brillouin zone
  • Brillouin zone data
  • Band path
  • Band structure
  • Interpolation
  • High symmetry paths
  • Chadi-Cohen
• Maximally localized Wannier functions
  • Introduction
  • The Wannier class
• Density of states
  • More details
• Band gap
  • bandgap()
• STM images
  • STM
• Bader Analysis