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    • Basics and structure optimization
      • Getting started with GPAW
      • Basics of GPAW calculations
      • Bulk aluminum
      • Setting up an aluminium surface
      • Structure optimization
      • Finding lattice constants
      • Plane wave mode and Stress tensor
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GPAW
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Basics and structure optimizationΒΆ

  • Getting started with GPAW
  • Basics of GPAW calculations
  • Bulk aluminum
  • Setting up an aluminium surface
  • Structure optimization
  • Finding lattice constants
  • Plane wave mode and Stress tensor
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