[CP2K-user] [CP2K:21977] How to solve “Cholesky decomposition failed. Matrix ill conditioned?”

[Ziming Wang]

Dear cp2k developers,
When I used HSE06 with opening RI-HFX to calculate the 2D GaN band 
structure, I used the self-consistent wavefunction of PBE as an initial 
guess for HSE06, then encountered the problem described in the 
question——"Cholesky decomposition failed. Matrix ill conditioned?" 
I would like to ask for guidance on how to avoid these issues. 
I have attechad input file and output file.
Thank you very much for your time and help.

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