[CP2K-user] [CP2K:19811] Relevant Issues Regarding Temperature Control in Second-Generation CPMD

[rongz ma]

Dear all,

When I used CP2K to do the SGCPMD calculations, I observed that the 
temperature fluctuated by about 80K, with an average temperature of 330K, 
which was higher than the 300K temperature I expected. 

I sincerely seek your advice as to whether this temperature fluctuation 
would adversely affect the results of my calculations. 

Thank you very much for your assistance.

rongzhi
[image: temperature_plot2.png]

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