GPAW
  • Features and algorithms
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    • Basics and structure optimization
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    • Magnetic properties
      • Zero-field splitting
      • Electron spin and magnetic structure
      • Magnon dispersion from the magnetic force theorem
      • Spin spiral calculations
    • Molecular dynamics
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    • Vibrational properties
    • Wave functions and charge transfer
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GPAW
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Magnetic propertiesΒΆ

  • Zero-field splitting
    • Examples
  • Electron spin and magnetic structure
  • Magnon dispersion from the magnetic force theorem
    • Background theory
    • GPAW implementation
    • Example 1 (Introductory): bcc-Fe
    • Example 2 (Advanced): hcp-Co
    • Excercises
    • References
  • Spin spiral calculations
    • Ground state of FCC Fe
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