Someone sent me a Born-Oppenheimer molecular dynamics output with the following settings line:
# b3lyp/sto-3g BOMD=(MaxPoints=35, Ntraj=1, Update=15, RTemp=298) guess=read geom=allcheck
Based on my understanding of the BOMD keyword documentation, it sounds like the temperature is only used for putting energy into the vibrational modes, which are then used to initialize the nuclear velocities. Since there is no mention of a thermostat in the output or the documentation, this implies that calculations can only be run in the NVE ensemble.
Are my assumptions correct?