!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
!!!!System Information!!!!!!!!!!
!!!!PKH3 Reactive Scattering!!!!
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
 $Title_Labels
   Title1='H+H2 reactive scattering using PK2 potential'
   Title2='channel(1)=HH+H, channel(2)=HH+H, channel(3)=HH+H'
   Title3='H3 Porter-Karplus PES'
 $END Title_Labels
 
 $PotentialNames
    PES_Name='H3 Porter-Karplus PES    ' 
 $end

 $Atomsxx
   AtomicSymbol= 'H','H','H'
   MassNumber=     1,  1,  1
 $end


 $Atoms
   AtomicSymbol= 'H','D','T'
   MassNumber=     1,  2,  3
 $end

 $momentum  
   jtot=0, 
   parity=0, 
   nsymc=T  F  F, 
   jeven=T, 
   jref=0, 
   megacoup=0, 
   megamax=0
 $end

 $SectorDef
   RhoStart=2.1000D0
   RhoStartABM_APH=2.1000D0
   RhoStartDelves=8.1000D0
   RStartJacobi=8.1000D0
   NSectors=101
   JacobiProp=.False.
   DVRBasis=.False.
   FEMBasis=.False.	
   PDAFBasis=.False.
   CallBound3D=.False.
 $end

 $sfundist
     nrho= 101,
     rhomin=    2.1d0,
     deltarho1= 0.05d0,
     deltarho2= 0.00d0,
     rhomax=   8.10D0
 $end

  
 $quantum
  minvib=  0  0  0
  maxvib=  4  4  4
  jmin(0,1,0)=5*0,jmax(0,1)=5*6 ! Use (maxvib+1)*(jmax or jmin)
  jmin(0,2,0)=5*0,jmax(0,2)=5*6 ! Use (maxvib+1)*(jmax or jmin)
  jmin(0,3,0)=5*0,jmax(0,3)=5*6 ! Use (maxvib+1)*(jmax or jmin)
 $end

 $Diatomic
   FitDAFEnergies=.True.       ! IF TRUE the DAF eigenenergies will be fit
   FitNumerovEnergies=.True.   ! IF TRUE the Numerov eigenenergies will be fit
   Continuum=.False.           ! IF TRUE Scattering states will be calculated
   jmin=0                      ! Minimum rotational state (usually 0)
   jmax=29                     ! Maximum rotational state
   MinElec=0                   ! Minimum electronic state (usually 0)
   MaxElec=0                   ! Maximum electronic state (usually 0 or 1)
   NEnergy=101                 ! Number of continuum energies to calculate
   Emin=1.d-11                 ! Minimum continuum energy (Hartree Units)
   Emax=1.d-15                 ! Maximum continuum energy (Hartree Units)
 END