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Published 20 hours ago • verified publisher icon lucydot

Update documentation

Open lucydot opened this issue 3 years ago • 2 comments

The documentation has a basic tutorial workflow. However there should be some FAQs added:

  • how to adjust the fermi level and update CBM/VBM (especially useful when there is no occupancy data)
  • how to specify a particular band/k-point when the one you want is automatically found

Also change structure of documentation so that inputs section is extended to cover various DFT calculators.

lucydot avatar Mar 12 '21 10:03 lucydot

After some recent PR's I should also:

  • update API documentation for Datavasprun
  • Update Jupyter notebook example of reading in vasprun.xml

lucydot avatar May 24 '21 08:05 lucydot

The documentation site is looking pretty tired in general. It would be nice to migrate this to mkdocs and mkdocstrings (for automatic documentation from docstrings a la sphinx).

lucydot avatar May 31 '23 18:05 lucydot