[DFTB-Plus-User] Excited State MD with thermostat

[Brendan Smith]

Hi DFTB+ community,

I relaxed a structure in the S4 excited state. I then using "initial
temperature = 300 K" to get the velocities for the initial time step. I
then use these to run MD in the S4 excited state. I use a Nose-Hoover
thermostat

However, upon inspection, I see that the temperature output by the MD is
low. Can someone please offer some input?

Thank you,
Brendan Smith
PhD Candidate, SUNY Buffalo
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