!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
!!!!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

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

 $pot 
    nrho=160
    ntheta=40
    nchi=241
 $end

 $pot2
   rho_min=6d0,
   rho_max=30d0,
   const_rho=.false.,
   rho=10d0, 
   vmin_rho=.false.,
   const_theta=.false.,
   theta=1.5707963d0,
   vmin_theta=.false.
   const_chi=.false.,
   chi=0.52359880d0,
   vmin_chi=.false.,
 $end

 $DAF_Bound3d
   NBound3D=20
   nd_daf=40
   ndaf=2
   mval=32
   diag_opt=2
   SetPotToZero=.false.
   direct=.true.
   jtot=0
 $end

 $groupdef
   reduce_group='C6v'
 $end

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