[CP2K-user] [CP2K:20197] Overlapping atoms in periodic conditions: GEOMETRY and EMAX_SPLINE error!

[Michela Benazzi]

Hello!

I am trying to perform a geometry optimization with 64 Al atoms for the 
purpose of obtaining an xyz file for MD. I attached the input and output 
files - I do not have any EMAX_SPLINE value specified, but this error line 
is striking to me:

WARNING| Particles: 51 25 at distance [au]: 0.00000000 less than: 
0.01889726; increase EMAX_SPLINE 

I am not sure how that would be the case: I made sure that all of the atoms 
would be at a distance from each other above the atomic radius of Al. I 
made my cell periodic, so I am wondering if that might be a mistake?

Thank you kindly for your help!

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