[CP2K-user] [CP2K:18443] Re: vacuum level

[Matt Watkins]

Hi Ling Chen,
you need to work similarly to other codes. You run a surface calculation 
and then observe the steady potential in the vacuum area to identify your 
zero of potential.
You can dump the potential using &DFT / &PRINT / &V_HARTREE_CUBE
Matt

On Saturday, 11 February 2023 at 07:13:52 UTC ling chen wrote:

> Hi experts, 
>
> I want to get the vacuum level in CP2K. I used to do it in VASP with a 
> SUBROUTINE GET_VAC_LEVEL.
>
> Can anyone suggest any way to do it in CP2K?
>
> Thank you very much!!!
>
> Kind Regards,
> Ling Chen
>
>

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