[CP2K-user] [CP2K:17335] Geometry doesn't converge

Antun Habajec antunhabajec at gmail.com
Wed Jul 20 11:30:12 UTC 2022


Dear all, 
I'm trying to run some MD, but the geometry of my system doesn't converge. 
I get the error:
Cholesky decompose failed: the matrix is not positive definite or 
ill-conditioned. 
Does anyone know how I can fix this?

Thanks in advance,
Antun.

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