[CP2K-user] Error: Cholesky decompose failed: the matrix is not positive definite or ill-conditioned.
Yang Liu
3304... at qq.com
Tue Nov 5 12:43:11 UTC 2019
Dear CP2K users,
I'm trying to run NVT using cp2k, but this error occurred. Could you
please help me solve this problem? Thank you so much!
attached with my input and xyz file.
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