How to plot band structure

jts2t... at gmail.com jts2t... at gmail.com
Wed Jun 21 01:10:34 UTC 2017


I don't major in physics, but I guess there are some scripts that can help 
you with it, just like the python scripts to plot the DOS.

在 2017年4月19日星期三 UTC+8下午10:49:04,zhj... at gmail.com写道:
>
> Dear CP2K Developers and Users,
>
> I have already obtained the band structure data, like:
>
> SET:       1                 TOTAL POINTS:      49
>    POINT   1                     0.000000    0.000000    0.000000
>    POINT   2                     0.000000    0.500000    0.000000
>    POINT   3                     0.000000    0.500000    0.500000
>    POINT   4                     0.000000    0.000000    0.500000
>        Nr.    1    Spin 1        K-Point  0.00000000  0.00000000 
>  0.00000000
>              1340
>            *-49.54118238    -49.54070239    -49.54070231    -49.54066173*
> *           -49.54066170    -49.54066166    -49.54066163    -49.54030637*
> *           -49.54022772    -49.54022771    -49.54016059    -49.54016058*
> *           -49.54016053    -49.54016053    -49.54016051    -49.54016048*
> *           -49.54016047    -49.54016042    -49.54011355    -49.54011353*
> *           -49.54011347    -49.54011343    -49.53969666    -49.53969663*
> *           -49.53969660    -49.53969656    -49.53966341    -49.53966340*
> *           -49.53966332    -49.53966332    -49.53963099    -49.53963095*
> *           -49.53963092    -49.53963091    -49.53963090    -49.53963086*
> *           -49.53963081    -49.53963079    -49.53960210    -49.53960207*
> *           -49.53960204    -49.53960201    -49.53919097    -49.53919095*
> *           -49.53919088    -49.53919085    -49.53916217    -49.53916217*
>            ......                     ......                     ......   
>                  ......
> So I want to know how to plot band structure using this data. How to 
> organize this data to plot. Can anyone tells me ?
>
>
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