[CP2K-user] Band Structure Sets with cp2k_bs2csv.py

Brian Day 22b... at gmail.com
Mon Jun 22 15:56:50 UTC 2020


Could anybody explain to me the difference between all of the different 
'material.bs-setN.csv' files generated by the cp2k_bs2csv.py code?

My understanding is that there is typically one per K-point set, but I'm a 
bit confused as to how I should be plotting the csv files. Should I only be 
plotting set 1? Or should I be plotting all the sets in a concatenated 
fashion, or taking the range between the k-points of that set, etc.?

Any clarification would be hugely appreciated - Thanks!

-Brian
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