GPAW
  • Features and algorithms
  • Installation
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  • Tutorials and exercises
    • Basics and structure optimization
    • Energetics
    • Electronic structure
    • Electrostatics and -dynamics
    • Magnetic properties
      • Zero-field splitting
      • Electron spin and magnetic structure
      • Magnon dispersion from the magnetic force theorem
      • Spin spiral calculations
    • Molecular dynamics
    • Optical response
    • Vibrational properties
    • Wave functions and charge transfer
    • Local Orbitals
    • Frequently asked exercise questions
  • Atomic PAW Setups
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GPAW
index | modules | gitlab | page source

Magnetic propertiesΒΆ

  • Zero-field splitting
    • zfs()
    • convert_tensor()
    • 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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