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Brainstorming #36

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jan-janssen opened this issue Jun 7, 2024 · 0 comments
Open

Brainstorming #36

jan-janssen opened this issue Jun 7, 2024 · 0 comments

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@jan-janssen
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  • Transfer convergence checks from one materials property to another, e.g. the dependence on the energy cutoff and kpoint mesh.
  • Collaboration with experiment
  • Teaching - give students easy access to simulation.
  • Collect expert knowledge for specific calculation e.g. VASP input files.
  • Write a custodian for quantum espresso - maybe analyse a heterogeneous database like Nomad.
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