[CP2K-user] [CP2K:16672] graphene 5x5 band structure

Victor Volkov volkovskr at gmail.com
Sun Mar 6 22:40:59 UTC 2022


Sorry to bother.
Considering examples on line,
I tried to compute band structure for 5x5 graphene
but could not get 
cp2k_bs2csv.py
to operate on the computed bs file, as attached.
Would you comment if the selected special points are incorrect?
Thank you.
Victor 

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