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Contents:

  • Introduction
  • Basic Operation
  • Installing Qbox
  • Client-Server Operation
  • Examples
    • Silicon64
    • C60 Molecule
  • Qbox commands
  • Qbox variables
Qbox
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  • Examples
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Examples

  • Silicon64
    • Ground state energy calculation
    • Structure optimization
    • Molecular dynamics
  • C60 Molecule
    • Ground state energy calculation
    • Structure optimization
    • Maximally Localized Wannier Functions (MLWF)
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