[CP2K-user] [CP2K:17587] Cholesky decomposition failed

[Mohammad Izadi]

Dear CP2K developers, 

I am going to use *aug-TZV2P-GTH *basis set along with "PRECONDITIONER" 
within the "OT" section and I have tested several keywords for "CHOLESKY", 
"MINIMIZER" and "PRECONDITIONER". It seems that this basis set has some 
issues with the preconditioning procedure and runs halt with the following 
error. However, I can run my inputs without using preconditioning, but it 
takes a very long time for convergence. I am using CP2K version 5.1. Input 
and output files are attached. I would highly appreciate any 
help/suggestion.  

******************************************************************************* 
* ___ * * / \ * * [ABORT] * * \___/ CPASSERT failed * * | * * O/| * * /| | 
* * / \ fm/cp_fm_cholesky.F:94 * 
******************************************************************************* 
===== 

Best regards, 
Mohammad 

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