[DFTB-Plus-User] TD-DFTB

[Roozbeh Anvari]

Dear DFTB+ community,

I am wondering why I am getting the following warning and error message,

Thank you for your help,
Roozbeh Anvari
PDF, Physics, Queen's University , Canada


WARNING!
-> Polarization components of the laser in a periodic direction do not
work.  Make sure you are polarizing the field in non-periodic directions.
ERROR!
-> Ion dynamics is not implemented yet for imaginary Hamiltonians.
ERROR STOP

----------------------------------------------

Geometry = GenFormat {
  <<< coords.gen
}

Driver = {}
Hamiltonian = DFTB {
  SCC = Yes
  SCCTolerance = 1e-8  # default : 1e-5
  MaxAngularMomentum = {
    C = "p"
 }
  Filling = Fermi {
    Temperature [Kelvin] = 100
  }
  SlaterKosterFiles =   {
  C-C="../pbc-0-3/C-C.skf"
  }

  KPointsAndWeights = SuperCellFolding {
    20 0 0
    0 20 0
    0 0 1
    0.5 0.5 0.0
  }

  Dispersion = LennardJones{
   Parameters = UFFParameters{}
  }
}

InputVersion = 21.2
ElectronDynamics = {
Steps = 50000
TimeStep = 0.1
FieldStrength [v/a] = 0.01
Perturbation = Laser {
PolarizationDirection = 0 1 0
LaserEnergy [ev] = 2.55
}
EnvelopeShape = Sin2 {
Time1 [fs] = 30.0
}
Populations = Yes
IonDynamics = Yes
InitialTemperature [k] = 0.0
Pump = Yes
PumpProbeFrames = 1000
PumpProbeRange [fs] = 0.0 50.0
EulerFrequency = 200
}
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