[CP2K-user] [CP2K:18825] GEOMETRY wrong or EMAX_SPLINE too small!

[Puneet Chandel]

Hello,

I am running geometry optimization of lattice structure of silicate with 
one unit cell. I have taken the coordinated from crystallographic database. 
I use the PBC exactly equal to the edge length given by XRD data so that 
unit cell can replicate itself. But it gives the error that GEOMETRY wrong 
or EMAX_SPLINE too small!. Although with  increase in PBC the GO starts but 
it does not converge and the geometry get distorted because the unit cell 
do not replicate itself and atoms overlap. 
can anyone suggest how to minimize unit cell with PBC equal to edge length. 

Thanks for your help

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