RUNTYPE LSC-IVR {
  NAME = lsc_sb_ohm_beta5x0
  BETA = 5.0
  A {
    OPERATOR=SB_POPULATION
  }
  B {
    OPERATOR=SB_SPIN
  }
  MONTE_CARLO {
    SEED=0
    GENERATE=METROPOLIS
    NMCCALC=10000
    # initial conds in naive coords
    POS={     0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 
              0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 
              0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 }
    VEL={     0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 
              0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 
              0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 }
  }
  HK-IVR {
    HK_GAMMA={ 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 
               1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 
               1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 }
    OVERLAP_0=NONADIABATIC1 
    OVERLAP_T=NONADIABATIC1 
    WF0_POS={ 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 
              0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 
              0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 }
    WF0_VEL={ 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 
              0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 
              0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 }
    WFT_POS={ 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 
              0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 
              0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 }
    WFT_VEL={ 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 
              0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 
              0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 }
    PREFACTOR=MASLOV
    HESS=NORMAL
  }
}

POTENTIAL SPIN_BOSON {
  DIM=42 
  M={        1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 
             1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 
             1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 }
# parameters from JCP 109 7064 fig. 5
OMEGA = { 1.0 1.0 0.0628626376 0.1273468212 0.1935384266 0.2615303375
          0.3314232293 0.4033264660 0.4773591290 0.5536512043
          0.6323449557 0.7135965214 0.7975777789 0.8844785343
          0.9745091061 1.0679033914 1.1649225277 1.2658592947
          1.3710434419 1.4808481881 1.5956982138 1.7160795802
          1.8425521597 1.9757653811 2.1164784111 2.2655863619
          2.4241548217 2.5934660975 2.7750822844 2.9709330910
          3.1834410828 3.4157052694 3.6717790345 3.9571073177
          4.2792468943 4.6491229190 5.0833860711 5.6092778939
          6.2760965564 7.1881687746 8.6389096686 12.5000000000
           }
C = { 1.0 1.0 0.00469878727385 0.00951878008294 0.0144663973798 0.0195485819331
          0.0247728589195 0.0301474029441 0.035681114988 0.0413837111001
          0.0472658250542 0.0533391276943 0.0596164663339 0.066112028395
          0.0728415345254 0.0798224678076 0.0870743474687 0.0946190578767
          0.102481246795 0.110688811159 0.119273494519 0.128271628453
          0.137725061685 0.147682337001 0.158200199757 0.169345556811
          0.181198057591 0.193853550565 0.207428797491 0.222068038111
          0.237952351679 0.255313379567 0.274454099631 0.295781504233
          0.319860438892 0.347507525055 0.379967349371 0.419276132768
          0.469118760527 0.537293331246 0.645731715505 0.93433624768
          }
    EPSILON={ 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 
              0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 
              0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 }
  DELTA={1.0}
}

INTEGRATOR MANOLOPOULOS {
  DT=0.01 NT=650
}  

INITIAL_CONDITIONS {
    POS={     0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 
              0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 
              0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 }
    VEL={     0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 
              0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 
              0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 }
}