[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
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20200622/84443ae4/attachment.htm>
More information about the CP2K-user
mailing list