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

 $momentum  
   jtot=0, 
   parity=0, 
   nsymc=T  F  F, 
   jeven=T, 
   jref=0, 
   megacoup=0, 
   megamax=0
 $end
 
 $SectorDef
   RhoStart=2.1000D0
   RhoStartABM_APH=8.1000D0
   RhoStartDelves=8.1000D0
   RStartJacobi=8.1000D0
   NSectors=101
   JacobiProp=.False.
   DVRBasis=.False.
   FEMBasis=.True.	
   PDAFBasis=.False.
   CallBound3D=.False.
 $end

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

 $potzero
   vzero=0.d0
 $end


!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
!!!!Finite Element Method Data for Surface Functions!!!!
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
 $mshdat  
    nlt=     1, 
    nlc=     2, 2, 2, 
    ndiv=    0, 
    nfreq=   10, 
    nxtra=   4, 
    nodmax=  1175, 
    tolfn2=  5.0D-02, 
    xkmesh=  12.22D0, 
    nlancz=  1, 
    nconsidr=12, 
    tolfn1=  0.8D0
 $end
 
 $stst  
      nquad=  5, 
        seq=    1.13532D0    1.13532D0    1.13532D0
      betaw=      21.51D0      21.51D0      21.51D0
     chncof=        1.0D0        1.0D0        1.0D0
   betafrst=       10.0D0       10.0D0       10.0D0
 $end  

 $savnam  
   ithsav=  100
 $end