[CP2K-user] [CP2K:18981] Re: GEOMETRY wrong or EMAX_SPLINE too small!

[Marcella Iannuzzi]

Dear ...
Check the coordinates, there are overlapping or too close atoms.
Regards
Marcella

On Tuesday, June 27, 2023 at 9:17:40 AM UTC+2 Renu Bhati wrote:

> Hello,
> I am very new to CP2K. I have started to use CP2K few weeks earlier only. 
> I am trying to run the geometry optimization of the system where I have 
> taken 1:3 Tetraethyl Ammonium Bromide : Ethylene Glycol. While running the 
> job I am getting an error GEOMETRY wrong or EMAX_SPLINE too small! Kindly 
> help me regarding this issue I am not able to resolve it.
> I have attached the input file and the output file here for your persual.
>
> Thanks in advance for your help. 
>

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