[CP2K-user] Band Structure Sets with cp2k_bs2csv.py
Brian Day
22b... at gmail.com
Mon Jun 22 18:52:41 UTC 2020
Answering my own question:
Each 'material.bs-setN.csv' file is the set of energies for all points
between the corresponding set of k points, so in order to plot the full
band structure between all k-point sets, each file needs to be loaded.
One could make the argument for returning a single CSV file rather than
multiple, but in the case of disjointed paths, distinct files is preferred.
Hopefully this answers any questions future users might have.
-Brian
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