[CP2K:10102] Re: Plot band structure !

[Tianshu Jiang in Beijing]

Hi Tiziano, 
*Thanks for your kind remind !*

*That helps!*
在 2018年3月19日星期一 UTC+8下午4:53:23，Tiziano Müller写道：
>
> Hi Tianshu 
>
> On 19.03.2018 03:58, Tianshu Jiang in Beijing wrote: 
> > By the way, in this page: 
> > https://www.cp2k.org/exercises:2016_uzh_cmest:band_structure_calculation, 
> how 
> > to get the final band structure after transforming the *.bs file to .CSV 
> > file? I did not major in physics or chemistry, so the meaning of each 
> > row is ambiguous for me. 
>
> The first 3 columns are coordinates in reciprocal space (the path 
> through the Brillouin zone), the remaining columns the respective 
> relative energy values (in eV). 
>
> In last years exercise there is a two-line gnuplot example on how to 
> plot them: 
>
>    https://www.cp2k.org/exercises:2017_uzh_cmest:pdos 
>
> Best regards, 
> Tiziano 
>
> > 
> > 在 2018年3月19日星期一 UTC+8上午2:38:14，Junbo Chen写道： 
> > 
> >     Hi Tianshu, 
> > 
> >     I found the plot script inside the tar.gz file from the page you 
> >     linked, as "plot_band.plt". 
> > 
> >     Junbo 
> > 
> >     On Sunday, March 18, 2018 at 3:43:03 AM UTC-4, Tianshu Jiang in 
> >     Beijing wrote: 
> > 
> >         Hello, everyone ! 
> >         I am studying the tutorial of CP2K. But I could not find the 
> >         scripts of plotting band structure of graphene. In this chapter: 
> >         https://www.cp2k.org/exercises:2015_ethz_mmm:bs 
> >         <https://www.cp2k.org/exercises:2015_ethz_mmm:bs>, the 
> >         plot_band.plt script could not be found. 
> >         Does anyone know where to find the file? 
> >         I will appreciate for your help. 
> > 
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> -- 
> Tiziano Müller 
> University of Zurich 
> Department of Chemistry 
> Winterthurerstrasse 190 
> CH-8057 Zürich 
>
> Tel: +41 44 63 54234 
> www.chem.uzh.ch 
> tizia... at chem.uzh.ch <javascript:> 
>
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