[CP2K-user] [CP2K:20645] POWELL| Error in trust region

Cheng pengc10 at gmail.com
Sun Sep 1 02:59:22 UTC 2024


Dear all,

I attempted to perform an energy calculation using HSE06 with ADMM. 
Initially, I used PBE and then employed the restart.wfn file for the HSE06 
calculation. However, I encountered the following error:
"POWELL|Error in trust region."

I’m currently using CP2K version 2024.2 with mpirun. Could you please 
advise on how to resolve this issue?

Thanks,

Cheng

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