You are running QCTraj version                   r86                 

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 * The input file was read *
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Information about the PES
  Potential type                                        2
  PES data set                        H2Ag111SRP48-ex_C3v

Information about the static corrugation model
  Enabled                                               F

Information about trajectories
  Number of trajectories                            10000
  Print results every                                  10 trajectories
  Seed for random number generator                      1
  Classical calculation                                 F

Information about initial rovibrational conditions
  Sampling scheme                                       2
  Initial V quantum number                              2
  Initial J quantum number                              0

Information about initial translational conditions
  Perpendicular incidence energy                    0.700 eV
  Parallel velocity in x                            0.000 au
  Parallel velocity in y                            0.000 au
  Initial Z                                         7.000 Ang

Information about analysis conditions
  Dissociative R                                    2.250 Ang
  Trajectory cutoff                                20.000 ps
  J binning selection rule                              2

Information about integration accuracy
  Initial timestep                               0.000100 ps
  Epsilon                                        1.00E-06

Information about the system
  Mass of atom 1                                    1.000 proton mass
  Mass of atom 2                                    1.000 proton mass

Analysis options
  Trajectory logging                                    F
  Logging Zmax                                      6.000 Ang

Fixes
  H2+Cu(111) C3v Potential Fix                          T

Tests
  Test potential with finite differences                F

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 * Setting up the potential *
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ERROR: Could not find potential data H2Ag111SRP48-ex_C3v/CRPData in the potential data search path.


real	0m0.004s
user	0m0.003s
sys	0m0.001s
