!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
!!!!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 DMBE'
 $END Title_Labels
 
 $PotentialNames
    PES_Name='DMBE HHH         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=2.1000d0
   RhoStartDelves=8.1000d0
   RStartJacobi=8.1000d0
   NSectors=31
 $end

 $quantum
  minvib=  0  0  0
  maxvib=  4  4  4
  jmin(0,1,0)=4*0,jmax(0,1)=4*8 ! Use (maxvib+1)*(jmax or jmin)
  jmin(0,2,0)=4*0,jmax(0,2)=4*8 ! Use (maxvib+1)*(jmax or jmin)
  jmin(0,3,0)=4*0,jmax(0,3)=4*8 ! Use (maxvib+1)*(jmax or jmin)
 $end

$gauss   
   old_way=  T
   npow=     0, 0, 0
   nglegn=  46,46,46,
   nhermt=  25,25,25,
   nlegndre=8, 8, 8,  !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

 $TotEnergy
   efirst=   1.102479266030699d-2,
   deltaeng= 5.512396330153800d-4,                             
   nenergy= 121
 $end