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Presentations

  • Collection of morning presentations

Start here first

  • For using Tetralith (NAISS, NSC)
  • For using LEONARDO (EuroHPC)
  • Useful tools

Hands-on examples

  • fcc Si
  • fcc Si DOS
  • fcc Si bandstructure
  • cd Si
  • cd Si volume relaxation
  • cd Si relaxation
  • fcc Ni
  • fcc Ni revisited
  • Bandgap of Si using different DFT+HF methods
  • Ni100 surface
  • More examples and topics

Compiling VASP

  • Different clusters, CPU and GPU
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