!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
!!!!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=31
   JacobiProp=.False.
   DVRBasis=.False.
   FEMBasis=.True.	
   PDAFBasis=.False.
   CallBound3D=.False.
 $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
 
 $Basis_n
  Lam_n=51
  Lamfst=0
  Lamlst=0
 $END
 
 $gauss   
   old_way=  T
   npow=     0, 0, 0
   nglegn=  46,46,46,
   nhermt=  25,25,25,
   nlegndre= 6, 6, 6  !Set equal to jmax(0,tau)
   intwt=    1, 1, 1,
   rx=    1.085000D0    1.085000D0    1.085000D0,
   re=    1.401120D0    1.401120D0    1.401120D0,
   zeta=  1.000000D0    1.000000D0    1.000000D0,
   delta= 0.010000D0    0.010000D0    0.010000D0,
   weau=  2.00534D-02   2.00534D-02   2.00534D-02,
   wexeau=5.52847D-04   5.52847D-04   5.52847D-04,
   ralpha=3.166000D0    3.166000D0    3.166000D0,
   balpha=1.000000D0    1.000000D0    1.000000D0,
   calpha=0.920000D0    0.920000D0    0.920000D0,
   dalpha=0.030000D0    0.030000D0    0.030000D0,
   anharm=0.800000D0    0.800000D0    0.800000D0,
 $end
  
 $integopt
   int_opt='ABM_Integrals'
 $end
 
 $mshdat  
    nlt=  1, 
    nlc=  2 2 2, 
    ndiv=  0, 
    nfreq=  10, 
    nxtra=  4, 
    nodmax=   1175, 
    tolfn2=    5.0000000000000D-02, 
    xkmesh=    12.220000000000, 
    nlancz=   1, 
    nconsidr=  12, 
    tolfn1=   0.80000000000000
    nlancz=2
 $end
 
 $stst  
      nquad=  5, 
      seq=     1.1353200000000,1.1353200000000,1.1353200000000
      betaw=   21.510000000000,21.510000000000,21.510000000000
     chncof=    1.000000000000,1.0000000000000,1.0000000000000
   betafrst=   10.000000000000,10.000000000000,10.0000000000000
 $end

 $savnam  
   ithsav=  100
 $end

 $etachanl
 $end