Overview

Slides: https://jensj.gitlab.io/gpaw-2021-talk/

  • Quick introduction to GPAW?

    • Wave function representations (modes)

  • Installing the code

    • from the Python package index (PyPI)

    • from source

  • Testing the code

  • Running the code

  • Running the code in parallel

  • PAW-data and pseudo-potentials

  • How to build the documentation

  • What’s in a gpw-file?

  • Parallel distribution of data