[DFTB-Plus-User] XLBOMD

[10174602105]

Hi DFTB+ community,
I am a new user of DFTB+ code. I am trying to speed up SCC MD, so I use the fast XL-BOMD method. However, it does not work.
Here is the Diver block:
Driver = VelocityVerlet {
  TimeStep [fs] = 0.5
  # Use thermostat to maintain temperature
  Thermostat = NoseHoover {
    Temperature [Kelvin] = 2000
    CouplingStrength [cm^-1] = 3200
  }
  # extended Lagrangian dynamics, using the 'fast' option
  XlbomdFast {
    IntegrationSteps = 5
    Scale = 0.5 
    TransientSteps = 10
  }
  Steps = 40
  MovedAtoms = 1:-1
}
 
I got the following error:
ERROR!
-> XLBOMD does not work with thermostats yet
Done.
 
Must it be NVE? Then how can I control the temperature with XLBOMD? Can someone please offer some advice?
PS: The system is about C, H, O, N atoms.
 
Thank you,
Shuangfei Gu
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