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lucydot / effmass

Calculates various definitions of effective mass from the electronic bandstructure of a semiconductor.

https://effmass.readthedocs.io/en/latest/

MIT License

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Update documentation #28

Open lucydot opened 3 years ago

lucydot commented 3 years ago

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 commented 3 years ago

After some recent PR's I should also:

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

lucydot commented 1 year ago

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).