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.