[CP2K-user] [CP2K:19524] Cholesky decomposition failed. Matrix ill conditioned ?

SANJAY KUMAR msanjay2412199 at gmail.com
Fri Nov 17 03:38:30 UTC 2023


Hi CP2K forum,
I'm trying to optimize a composite with CELLOPT and I'm getting the 
following error " Cholesky decomposition failed. Matrix ill conditioned ?" 
can anyone help me out here ?.. I'm enclosing input and output here 

                                                           thanks in 
advance 
 
                                                    

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