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Ab initio Calculations Using Wien2k Code

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Plot multiple bandstructures in WIEN2k

wien2plot


Plot multiple bandstructures in WIEN2k
This code written in Python allows one to plot multiple bandstructure in WIEN2k.
The only input files required are the energy files, eg. case.energy(so).
Install required python libs:
pip install numpy matplotlib pyplot ast scipy argparse os
Example of Usage:
python wien2plot.py -n 3 -f gga.energyso gw.energyso mbj.energyso -e 0.315 0.295 0.286 -l GGA GW mBJ
Help:
python wien2plot.py -h
License:
This project is licensed under the terms of the MIT license.


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1 Comments

  1. Where can we get file *.energyso for plot band. Thanks.

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