NVT simulation in CP2K

[Munmun Khatua]

Hi
I am trying to do a NVT simulation in cp2k with one H2O molecule at 300K
with Nose thermostat. The problem that I am facing while doing this
simulation is that temperature is not kept constant throughout the
simulation (printed in the H2O-2-1.ener file). I have taken the input file
as it is from cp2k/tests/QS directory of the cp2k source.

I would be grateful if you suggest how I can solve this problem

-- 
Munmun Khatua
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