[CP2K-user] Error: Cholesky decompose failed: the matrix is not positive definite or ill-conditioned.

[Yang Liu]

Dear Zhang,

    thanks for your suggestion. I tried EPS_SCF value 1e-12, but the same 
error occurred.
 
    All the best,
    Yang

On Wednesday, November 6, 2019 at 11:00:34 AM UTC+9, Yingchun Zhang wrote:
>
> You can also try to set EPS_DEFAULT to a smaller value, the default is 
> 1e-10, you can try 1e-12
>
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