[CP2K-user] [CP2K:19616] Time of Diagonalization/OT steps increases with simulation time

[Benedikt Schier]

Dear Matthias,
Actually the number of SCF steps is fine, this number does not increase 
significantly with the simulation time. I am talking about the time per 
iteration step (sorry for not explaining it sufficiently) of the 
diagonalisation/OT step. I have attached a screenshot to make it 
clearer.The output file seems to be too large, here is a google drive link: 
https://drive.google.com/drive/folders/1COlF3zyv4nGsQ5e0sTnnG82oBm2cwPf8?usp=sharing

With kind regards, 

Benedikt Schier

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