[CP2K-user] Error with "Cholesky decompose failed"

[Jiapeng Liu]

Dear CP2K users,

I am just learning CP2K from the official website and trying to relax a Li 
bcc structure where 16 atoms are included. I modified from the example 
shown here 
https://www.cp2k.org/exercises:2019_conexs_newcastle:ex3#part_1optimizing_geometry for 
MgO. But I met some problems running my input file. The output says that 
"Cholesky decompose failed: the matrix is not positive definite or 
ill-conditioned". I am quite confused where is the error from. Can you guys 
help me on this. Thanks for your kind help.

I also attach my input file here, thank you very much.

[image: WeChat Screenshot_20191001003731.png]

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