[CP2K-user] Plotting zone structure

Mikhail_T mikhail19... at gmail.com
Mon May 4 10:38:12 UTC 2020


Hello, I'm new to CP2K.
I am trying to complete this exercise 
<https://www.cp2k.org/exercises:2017_uzh_cmest:pdos> (Getting the band 
structure of WO3 Lattice) from examples. I got an output file with energy 
values (WO3.bs), but I don't understand how to use it to depict a graph of 
the zone structure (Picture 1b from the cp2k site). What value from the 
output file is plotted along the x-axis in the graph 1b? 

Thank You
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