[Pw_forum] Saving the ion velocities

[Laura Henderson]

Hi to all,

I have a question about molecular dynamics on Quantum Espresso.  We use 
the Nose thermostat to control the temperature of our system; however, 
we also need to run free molecular dynamics without the Nose thermostat 
on.  When the thermostat is turned off, the ion velocities reset to 
zero, so the system is quenched to zero Kelvin.  Is there a way to turn 
off the Nose thermostat without the ion velocities resetting to zero?

Thanks
Laura

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Laura Henderson
University of Ontario Institute of Technology, Ontario, Canada