search

lucydot / effmass

Calculates various definitions of effective mass from the electronic bandstructure of a semiconductor.
https://effmass.readthedocs.io/en/latest/
MIT License
70 stars 38 forks source link

Octopus Compatibility #43

Closed afatt closed 3 years ago

afatt commented 3 years ago

The purpose of this pull request is to add compatibility with the open source Octopus DFT software.

The new open source octopuspy python package has been created to take care of the Octopus data parsing.

Feel free to contact me by email "afatt90@gmail.com" or "austin.d.fatt@navy.mil" with any concerns/questions about technical approach, design, or testing.