[CP2K-user] [CP2K:21103] MD Equilibration Issue – Temperature Fluctuations in CP2K

[Hasan Tunçer]

Hello,

I am running a molecular dynamics  simulation using CP2K, and I am 
encountering difficulties in achieving equilibration. The temperature 
fluctuations remain significant, indicating that my system has not yet 
reached a stable state.

I have attached my CP2K input file for reference.

I would appreciate any insights or suggestions on how to stabilize the 
temperature and ensure proper equilibration. Thank you in advance for your 
time and assistance!

Best regards,

Hasan[image: temperature.png]

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