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Dear all,

I'd like to obtain the exchange energy between the system and the bath for each step while calculating AIMD with Nose-Hoover thermostat (SMASS = 0 & MDALGO = 2). Actually I found the energy results are repeating for each time-step in the OUTCAR file like below.

ENERGY OF THE ELECTRON-ION-THERMOSTAT SYSTEM (eV)
---------------------------------------------------
% ion-electron TOTEN = -938.024301 see above
kinetic energy EKIN = 2.919941
kin. lattice EKIN_LAT= 0.000000 (temperature 285.94 K)
nose potential ES = 15.353047
nose kinetic EPS = 0.182569
---------------------------------------------------
total energy ETOTAL = -919.568744 eV

However, I don't understand that what are "nose potential" and "nose kinetic". I read that the heat bath of Nose–Hoover thermostat consists of only one imaginary particle, then does it mean that these are the energies of imaginary particle?
Could you Please let me know how can I obtain (or calculate) the exchange energy between the system and the bath?

Please help me.
Any comments are very thankful for me.

Thank you very much.

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