[CP2K-user] [CP2K:13175] Re: calculating electrostatic potential along z axis

[Elham M.Goliaei]

Dear Fabian,

    Thanks for your reply, I have another question, what is the energy unit
in the potential cube file (profile_3.dat)?

All the best,
Elham



On Sun, Apr 26, 2020 at 11:08 PM Fabian Ducry <fabia... at gmail.com> wrote:

> Dear  Elham,
>
> You can use the cubecruncher utility that comes with cp2k:
> https://www.cp2k.org/tools:cubecruncher
> To extract a 1D profile along the z-axis you do: cubecruncher.x -i
> cubefile.cube -o /dev/null -1d_profile 3 1
>
> Best,
> Fabian
>
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