[CP2K-user] [CP2K:21756] Multi Level SCF?

FS falkwilliamseidel at gmail.com
Wed Aug 20 08:59:05 UTC 2025


Hi

Is there a way to stage an SCF calc manually into sections in an input? 
Like to do level-shifting first till a certain convergence threshold, then 
disabling it? I see there is for example the EPS_DIIS keyword for defining 
a threshold to start DIIS.

All the best

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