[CP2K-user] [CP2K:22173] SCF converges more slowly as AIMD progresses, but resets when restarting

[Yinyu chan]

Dear CP2K community,

I'am a new user of CP2K(v2026.1) and I'm running an AIMD simulation of a 
metal-electrolyte interface (Au-Pd alloy/NaCl(aq)) with electric field.

However, I encountered an issue where the SCF starts fast but then becomes 
slow, as shown in the *ener file. But when I restarted the AIMD at steps 
5000(SCF_GUESS RESTART) and 5378(SCF_GUESS ATOMIC), the SCF convergence 
starts fast again, but then becomes slow once more. I would like to know 
whether this phenomenon is normal, and how to keep the SCF convergence fast 
during the AIMD. 

I've attached the inputs and outputs for reference. I would appreciate it 
if anyone could offer suggestions on this issue.

Thank you for your time and support.

Best regards,
Yinyu Chan

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