input.dat

&INPUTGRIDBASE
   NPUN1=        256, RMIS1= 0.01d0 ,   RFIN1=  30.d0    , NPUN1MIN=        64,
   NPUN2=        620,   RMIS2= 0.01d0,  RFIN2=  36.d0     ,
   NANGU=        160,   
   JTOT=          0,    IOMMIN=          0,   IOMMAX=          0,  IPARITY=          1,
   INC=          1, J0=          0,
   NELECMAX=          1,
     JINI=          0, JMAX=          20,
   NVINI=          0,   NVMAX=         2,
   NVREF=          0,   JREF=          0,   IOMREF=          0,   IELECREF=          1,
/
!!!!!!!!!!!!!!!!!!!!!!!!!!!!  absorcion
&inputabsorcion
      absalp1=0.0002d0, absr1=16.d0, n1expo=6, ninterv1=2,
      absalp2=0.00002d0, absr2=16.d0, n2expo=6, ninterv2=2
/
&INPUTWRITE
   iwrt_pot=0
   iwrt_wvp=0
   iwrt_reac_distri=0
   n1plot=1
   n2plot=1
   nangplot=1
!!!!!!!!!!!!!!!!!!!!!!!!!!! collision: initial wavepacket
&inputcol
   Rcolini_ang=15.d0
   ecol_ev=0.23557d0
   deltaE_ev=0.11779d0
/
!!!!!!!!!!!!!!!!!!!!!!!!!!!! flux
&inputflux
      r1flux_ang=11.d0
      netot=1000
      ekinmin_eV=0.001d0
      ekinmax_eV=1.d0
      ncontfile=0
/
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!  bnd for photo
!!!!!!!!!!!!!!!!!!!!!!!!!!!!! products
&inputprod
! iprod  ! =0 no products, =1 uses product Jacobi coordinates, =2 uses reactant Jacobi coordinates
iprod=2  ! =0 no products state distribution,
         ! =1 using products Jacobi coordinates for propa,
         ! =2 using reactants Jacobi coordinates,
         !    transforming to products to extract s2s properties
      nviniprod=0,   nvmaxprod=5,
      jiniprod=0,    jmaxprod=38
      iomminprod=0!, iommaxprod=0 ! if commented iommaxprod=Jtot
       Rbalinprod=11.d0
       n2prod1=150 !  if commented n2prod1=npun2
       nangproj1=30
/
!!!!!!!!!!!!!!!!!!!!!!!!!!!! time integration
&inputtime
      ntimes = 1000
      nloop = 90
      kminelastic=2500
/
&inputpotmass
!-----------> masses(in amu) and potential(in eV) cut data
   system='O^+ +H2'
   xm0=2.01410178d0
   xm1=1.007825d0
   xm2=15.99491463d0
   VcutmaxeV=4.00d0
   radcutmaxeV=5.d0
   rotcutmaxeV=5.d0
/
!-------------> to get the spectrum by "cheby-transform to Energy"
!!!!!!!!!!!!!!!!!!!!!!!!!!!! process
&inputprocess
       iphoto=0   ! =0 for collisions, =1 electric dipole absorption, =2, bright approximation
/
&INPUTBND
   JTOTINI=          0,
   IPARINI=         +1,
   NVBOUND=          1,
   NPROCBND=          4,
   MAXBNDDIM=     100000,
   IGRIDBND=          0,
/
&inputEspectro
   Emin=-8.5d0   ! in eV
   Emax=1.d0    ! in eV
   ne=10001
   xkgam=0.001
   kmax=1000000
/
&sigmaS2prod
Jtotmax=400
nCalc=23
nESigma=991,EminSigma_eV=0.001,EmaxSigma_Ev=1.d0
/
&InputRateSigma
   Tempmin=10.d0
   Tempmax=1000.d0
   ntemp=100
   extrapolation=1
   Afactor_angstroms2eV=15.d0
   Epower=-0.5d0
   EMinextra_eV=1.d-5
   nEextra=10000
/