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

[Dmitry Ryndyk]

Dear all,

as far as I can see, the format of the output file is changed in the 
developing version (or maybe earlier).
The cp2k_bs2csv.py script does not work anymore.
Did somebody modify it?

Best wishes,
Dmitry

2... at gmail.com schrieb am Montag, 22. Juni 2020 um 20:52:41 UTC+2:

> 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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