In this directroy the files needed to reproduce this project's results should all be present. During the project there was a specific workflow used. One should always carafully review their inputs before blindly reproducing, nevertheless with the additional READMA files reproduction should not be to difficuly.
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HPC
In this directory the files used on HPC facilities are shared. They mostly concern the preparation, running and analysis of VASP and lobster calculations.
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local
This directory contains the files used on a local workstation. The included files mostly cocern additional visualisations and the video compilation.