Equilibration in NVT MD run
Raghav
raghavs... at gmail.com
Sat Aug 4 18:13:51 UTC 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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