&control

!------ Initialization -------!
 NumStates=3            !Number of electronic states
 InitState=2            !Initial trajectory's state
 NumParticles=6         !Number of atoms
 IMethod=1              !CASSCF dynamics with couplings
 IRestart=0             !Do not restart
 IRndSeed=1             !Random number seed
 InitialCond='WIGNER'   !Sample from Wigner Distribution

!-------- Integration and numerics --------!
 TimeStep=20.0          !Simulation timestep
 SimulationTime=800.0   !Simulation length - note this is short for illustrative purposes
 ExShift=77.8381            !Diagonal shift of Hamiltonian
 CoupTimeStep=5.0       !Timestep in coupling regions
 MinTimeStep=1.0        !Minimum adaptive timestep

!-------- Spawning -------!
 CSThresh=3.0           !Coupling threshold to enter spawning mode
 PopToSpawn=0.01        !Minimum population before spawning
 OMax=0.6               !Prevent spawning if spawned trajectory has at least
                        !this much overlap with existing basis
 MaxTraj=50             !Max number of trajectories
 IgnoreState=1          !Remove uncoupled trajectories on S0
 MaxEDiff=0.04          !Energy gap threshold for calculating couplings

!------ Output Options -----!
 zEDatFile=.true.       !Energy file
 zNDatFile=.true.       !Population file
 zTrajFile=.false.      !Trajectory data file
 zAmpFile=.true.        !Amplitude files
 zPotEnFile=.true.      !Potential energy files
 zXYZ=.true.            !XYZ files
 zCoupFile=.true.       !Coupling files
 zChargeFile=.true.     !Charge files
 zDipoleFile=.true.     !Dipole files
 zTDipoleFile=.true.    !Transition dipole files
 WriteMolden=.true.     !Write molden files?
 MoldenStep=100         !time between molden files
/