[CP2K-user] [CP2K:13231] Re: Plotting zone structure

[Михаил Беляев]

Hello, Fabian
Thank you for yor reply
I saw the python script.
I'm not good at chemistry, so it’s not obvious to me what value I need to
put off along the x-axis.
I am trying to understand this moment, and not just build a graph.

пн, 4 мая 2020 г. в 14:21, Fabian Ducry <fabia... at gmail.com>:

> Dear Mikhail,
>
> At the very end of the exercise page there is a python script that
> converts theWO3.bs file to a csv-file and instructions on how to plot that
> with gnuplot.
>
> To convert the band structure file to a file which can be plotted
>> directly, you can use the script cp2k_bs2csv.py from below [...]
>>
>
> gnuplot>set yrange [-8:14]
>> gnuplot>plot for [i=4:23] "WO3.bs.set-1.csv" u 0:i w l t ""
>>
>>
> Best,
> Fabian
>
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