[CP2K-user] [CP2K:21182] Shake does not converge

[Quentin Pessemesse]

Hello everyone,
I have an issue with a constrained MD simulation where I constrain the 
z-axis distance between a fixed point at 0,0,0 and an atom. I get a message 
that tells me the Shake algorithm is not converged, but the Lagrangian 
itself looks more or less like I expect it.I also used fixed atoms, I am 
not sure if this is relevant. 
What can I do to solve this issue ?
Best,
Quentin

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