Dear Sergey,
I think, the temperature in a simulation with Nose thermostat
is supposed to fluctuate around the target value, because your system
exchanges energy with the thermostat. Your fluctuataions seem
quite wild, but probably that's because your test system is quite small.
I guess they'll be
Dear Siesters,
I am a little confused when perform MD with Nose thermostat. I put
TargetTemperature = 500 K but in output file I see the next behaviour:
siesta: Temp_ion = 56.381 K
siesta: Temp_ion = 39.006 K
siesta: Temp_ion = 251.629 K
siesta: Temp_ion = 394.578 K
siesta: Tem
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