[CP2K-user] [CP2K:18124] GEOMETRY wrong or EMAX_SPLINE too small!

[elephant gogogo!]

I use the cp2k to do the structure optimization. When I use 2*2*@ 
supercell, everything is fine, but if I use 4*4*4 supercell. It shows 
"GEOMETRY wrong or EMAX_SPLINE too small!". I'm so confused. Someone could 
help me? Thank you very much!

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