Equilibration in NVT MD run

Raghav raghavs... at gmail.com
Sat Aug 4 20:13:51 CEST 2018


Dear cp2k users,

                        I am trying to equilibrate my system. I am doing 
NVT simulation but the mean temperature of my system is not reaching the 
target Temperature (310K) as can be seen in the figure attached. I am using 
Nose Hoover Thermostat, Is there some problem with the parameters of the 
thermostat or something else is the problem.

Input file is attached.

Regards
Raghav
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