!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
!!!!System Information!!!!!!!!!!
!!!!Fh2T5 Reactive Scattering!!!
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
 $Title_Labels
  Title1='F+H2 reactive scattering using the T5A potential'                   
  Title2='channel(1)=F+HH, channel(2)=HF+H, channel(3)=HF+H'
  Title3='FH2SW               '
 $END Title_Labels


 $SectorDef
   RhoStart        =  2.2d0
   RhoStartABM_APH =  2.2d0
   RhoStartDelves  = 9.5d0
   RStartJacobi    = 9.5d0
   NSectors        = 147
   JacobiProp      = .False.
   DVRBasis        = .False.
   FEMBasis        = .False.
   PDAFBasis       = .False.
   CallBound3D     = .False.
 $end

 $PotentialNames
  pes_name='FH2SW                    '
 $end

 $quantum
  minvib=  0  0  0
  maxvib=  3  7  7
  jmin(0,1,0)=4*0,jmax(0,1)=4*8 ! Use (maxvib+1)*(jmax or jmin)
  jmin(0,2,0)=8*0,jmax(0,2)=8*13 ! Use (maxvib+1)*(jmax or jmin)
  jmin(0,3,0)=8*0,jmax(0,3)=8*13 ! Use (maxvib+1)*(jmax or jmin)
 $end

 $gauss  
  rx=    1.086    1.036    1.036, 
  re=    1.40112    1.732517    1.732517,
  noscil=  4  8  8,
  nhermt=  18  18  18,
  npow=  0, 0, 0,
  zeta=    0.1000    1.00    1.00,
  delta=    1.0000d-2    1.00d-2     1.00d-2,
  nlegndre=  8  13  13, !Set equal to jmax(0,tau)
  nglegn=  38  45  45, 
  weau=     2.00534D-02    1.885557D-02    1.885557D-02, 
  wexeau=   5.52847D-04    4.0952D-04    4.0952D-04, 
  ralpha=   3.28601    2.71635    2.71635, 
  balpha=  11.6006    1.82849    1.82849, 
  calpha=   0.9230   0.9170   0.9170, 
  dalpha=  40.8195  59.0564  59.0564,
  anharm=   0.850    1.140    1.140,
  intwt=  1  1  1, 
  old_way=  F
 $end

 $logder
   EDeriv=.True.
   nsteps=  20,
   iprtx='none  ',
   init_rmat='Initialize  ',
   rmat_file= 'R_Matrix',
   method='new_logder'
 $end

 $Atoms  
   AtomicSymbol= 'F','H','H'
   MassNumber=    19,  1,  1
 $end

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

 $regins
   start=     2.2d0,
   SwitchToVIVS=9.d0,
   finish=    9.5d0
   endaph=    9.5d0,
   enddelve=  9.5d0,
 $end

 $integopt
   int_opt='ABM_Integrals'
 $end

 $qcasep  
   qcase=  T, 
   qswitch=    5.0d0
 $end

 $qdivp  
   nthdiv=  2,
   nqth=8,28 !nqth=  14  38  
   thdiv=  0.   0.65000    1.5707963267949  
   nchdiv=  7, 
   nqch=15,37,13,14,13,37,15 !nqch=   22  48  20  22  20  48  22
   chdiv=    -1.5707963267949   -1.1800  -0.49000  -0.20000
    0.20000   0.49000    1.1800    1.5707963267949
 $end

 $sfundist  
   rhomin=    2.2d0, 
   deltarho1=  0., 
   deltarho2= 1.0000D-02, 
   nrho=  147, 
   rhomax=9.5d0
 $end

 $Basis_n
  Lam_n=51
  Lamfst=0
  Lamlst=0
 $END

 $TotEnergy  
   efirst=  6.063635963D-02,
   deltaeng=3.674930900D-4,
   nenergy=  76
 $end

 $intchanlxxx
   integrat=T,T,T
 $end

 $spectro 
  diatom='H-H     ','H-F     ','H-F     ',
  wecm= 0.4401213E+04, 0.4138320E+04, 0.4138320E+04
  wexecm= 0.1213360E+03, 0.8988000E+02, 0.8988000E+02
  weyecm= 0.8129000E+00, 0.9000000E+00, 0.9000000E+00
  becm= 0.6085300E+02, 0.2095570E+02, 0.2095570E+02
  decm= 0.4710000E-01, 0.2151000E-02, 0.2151000E-02
  alfecm= 0.3062200E+01, 0.7980000E+00, 0.7980000E+00
  reau= 0.1401120E+01, 0.1732517E+01, 0.1732517E+01
  vshift= 0.E+00, 0.E+00, 0.E+00
 $end