effmass
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Update documentation
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.
After some recent PR's I should also:
- update API documentation for Datavasprun
- Update Jupyter notebook example of reading in vasprun.xml
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).