[CP2K-user] [CP2K:19859] Re: About the Dirichlet boundary

[Marcella Iannuzzi]

Dear Lakshmi

I suspect that the problem might come from the intercept 25, but I do not 
have experience with the method.

Regards
Marcella

On Wednesday, January 31, 2024 at 3:41:29 AM UTC+1 lakshmi... at gmail.com 
wrote:

> Dear All,
> I am new to CP2K. I was trying to give an electric field to my Ru metal 
> surface(144 atoms)with adsorbed nitrogen. For applying the electric field, 
> I used an Implicit Poisson solver and Dirichlet boundary condition are 
> used. Unfortunately, I got an error that the Dirichlet extents are outside 
> the simulation cell even though I gave the same simulation cell dimension. 
> Then, I reduced it to half to check whether it works, but it again gave me 
> the same error. Could anyone please help me with that? I am attaching the 
> input file as well as the output file for the reference.
>
> Thanks,
> Lakshmi.
>

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