Example of the commands TENXSC and MRCRS


In this example, I have added illustrative comments in brown to the actual output of the run. In addition, the various commands have been linked to the corresponding help files
run | tenxsc | mrcrs

The input file used here is tests/N2phetest.inp in the Hibridon directory tree

The potential subroutine is src/pot/pot_vfit.f

The input file reads potential data from the file tests/FOLLMEG.BIN

For more information on tensor and m-state resolved cross sections see B. Follmeg, P. Rosmus, and H.-J. Werner, J. Chem. Phys. 93, 4687 (1990).


Initiate execution of your code

% hib_vfit_151

 --------------------------------------------------------------------------
           HIBRIDON SCATTERING CODE V 4.1 04/18/97 20:33:41 EDT

     AUTHORS: M. ALEXANDER, D. MANOLOPOULOS, H.-J. WERNER, B. FOLLMEG
 CONTRIBUTORS: D. LEMOINE, P. VOHRALIK, G. COREY, R. JOHNSON, T. ORLIKOWSKI
               A. BERNING, A. DEGLI-ESPOSTI, C. RIST, P. DAGDIGIAN, B. POUILLY
               G. VAN DER SANDEN, M. YANG, F. DE WEERD
 --------------------------------------------------------------------------
 Hibridon> inp=n2phetest.inp

 POTENTIAL LOADED FROM FILE FOLLMEG.BIN
 Here follows the usual output from data input into the pot_vfit potential
 subroutine 
 LABEL:  mha's 16-apr-1997 fit to follmeg's points
 Molecule is homonuclear
 NUMBER OF TERMS (NTRM) READ IN:  1

  NTRM    LMMIN    LMMAX    MLD    NVBLOCKS
    1       2        4       0      1
 Hibridon> show
     *** Parameters:
 JTOT1  =   0        JTOT2  =  30        JTOTD  =   1        JLPAR  =   0
 NERG   =   1        NUMAX  =   0        NUMIN  =   0        NUD    =   1
 LSCREEN=  80        IPRINT =  -1
 FSTFAC =  5.000     RINCR  =  1.000     RCUT   =  50.00     RENDAI =  75.00
 RENDLD =  6.000     RSTART =  3.500     SPAC   =  .1000     TOLAI  =  1.250
 XMU    =  3.502
 NOUT:  6; JOUT:   0   2   4   6   8  10
 INDOUT:    0
     *** 1-SIGMA system parameters:
 NTERM  =   1        VMIN   =   0        VMAX   =   0        JMIN   =   0
 JMAX   =  10
 BROT   =  1.941     DROT   = 0.0000E+00 HROT   = 0.0000E+00 EVIB   = 0.0000E+00
 LAMMIN:    2
 LAMMAX:    4
 MPROJ:     0
     *** Flags:
 AIRYFL= T    BASTST= F    BATCH = F    CHLIST= T    CSFLAG= F    FLAGHF= F
 FLAGSU= F    IHOMO = T    IPOS  = F    LOGDFL= T    NOPRIN= T    NUCROS= F
 PHOTOF= F    PRAIRY= F    PRLOGD= F    PRPART= F    PRSMAT= F    PRT2  = F
 PRXSEC= F    READPT= T    RSFLAG= F    T2TEST= F    TWOMOL= F    WAVEFL= F
 WRPART= F    WRSMAT= T    WRXSEC= T    BOUNDC= F
 ** Maximum Channels:  151; Anisotropic Terms:  80
 ** Energies:      150.000000
 ** Label:      Test of N2+_He using Follmeg-Rosmus PES
 ** Pot name:      WERNER-FOLLMEG VFIT
 ** Input File:  N2phetest.inp
 ** Output file: Outpt
 ** Jobname:     Job
 lower the maximum rotational quantum number and the maximum
 partial wave so that this test calculation will execute quickly
 Hibridon> jmax=8
 Hibridon> jtot2=20
 
run the calculation to generate the required S matrices

 Hibridon> run
 ** J =    0 JLPAR = 1 FINISHED;  CPU: 00:00:00.02   WALL: 00:00:00.16   DATE:
18-Apr-97  20:58:49
 ** J =    1 JLPAR = 1 FINISHED;  CPU: 00:00:00.07   WALL: 00:00:00.34   DATE:
18-Apr-97  20:58:49
 ** J =    2 JLPAR = 1 FINISHED;  CPU: 00:00:00.13   WALL: 00:00:00.53   DATE:
18-Apr-97  20:58:49
 ** J =    3 JLPAR = 1 FINISHED;  CPU: 00:00:00.19   WALL: 00:00:00.74   DATE:
18-Apr-97  20:58:49
 ** J =    4 JLPAR = 1 FINISHED;  CPU: 00:00:00.30   WALL: 00:00:00.98   DATE:
18-Apr-97  20:58:50
 ** J =    5 JLPAR = 1 FINISHED;  CPU: 00:00:00.43   WALL: 00:00:01.24   DATE:
18-Apr-97  20:58:50
 ** J =    6 JLPAR = 1 FINISHED;  CPU: 00:00:00.57   WALL: 00:00:01.53   DATE:
18-Apr-97  20:58:50
 ** J =    7 JLPAR = 1 FINISHED;  CPU: 00:00:00.75   WALL: 00:00:01.83   DATE:
18-Apr-97  20:58:50
 ** J =    8 JLPAR = 1 FINISHED;  CPU: 00:00:00.89   WALL: 00:00:02.11   DATE:
18-Apr-97  20:58:50
 ** J =    9 JLPAR = 1 FINISHED;  CPU: 00:00:01.07   WALL: 00:00:02.42   DATE:
18-Apr-97  20:58:51
 ** J =   10 JLPAR = 1 FINISHED;  CPU: 00:00:01.23   WALL: 00:00:02.72   DATE:
18-Apr-97  20:58:51
 ** J =   11 JLPAR = 1 FINISHED;  CPU: 00:00:01.41   WALL: 00:00:03.03   DATE:
18-Apr-97  20:58:51
 ** J =   12 JLPAR = 1 FINISHED;  CPU: 00:00:01.58   WALL: 00:00:03.34   DATE:
18-Apr-97  20:58:52
 ** J =   13 JLPAR = 1 FINISHED;  CPU: 00:00:01.75   WALL: 00:00:03.64   DATE:
18-Apr-97  20:58:52
 ** J =   14 JLPAR = 1 FINISHED;  CPU: 00:00:01.91   WALL: 00:00:03.94   DATE:
18-Apr-97  20:58:52
 ** J =   15 JLPAR = 1 FINISHED;  CPU: 00:00:02.07   WALL: 00:00:04.25   DATE:
18-Apr-97  20:58:53
 ** J =   16 JLPAR = 1 FINISHED;  CPU: 00:00:02.23   WALL: 00:00:04.56   DATE:
18-Apr-97  20:58:53
 ** J =   17 JLPAR = 1 FINISHED;  CPU: 00:00:02.41   WALL: 00:00:04.87   DATE:
18-Apr-97  20:58:53
 ** J =   18 JLPAR = 1 FINISHED;  CPU: 00:00:02.59   WALL: 00:00:05.17   DATE:
18-Apr-97  20:58:54
 ** J =   19 JLPAR = 1 FINISHED;  CPU: 00:00:02.76   WALL: 00:00:05.47   DATE:
18-Apr-97  20:58:54
 ** J =   20 JLPAR = 1 FINISHED;  CPU: 00:00:02.95   WALL: 00:00:05.80   DATE:
18-Apr-97  20:58:54

 ** NCH = 0, MOVE ON TO NEXT PARTIAL WAVE
 ** J =    1 JLPAR =-1 FINISHED;  CPU: 00:00:02.97   WALL: 00:00:05.95   DATE:
18-Apr-97  20:58:55
 ** J =    2 JLPAR =-1 FINISHED;  CPU: 00:00:02.99   WALL: 00:00:06.12   DATE:
18-Apr-97  20:58:55
 ** J =    3 JLPAR =-1 FINISHED;  CPU: 00:00:03.03   WALL: 00:00:06.30   DATE:
18-Apr-97  20:58:55
 ** J =    4 JLPAR =-1 FINISHED;  CPU: 00:00:03.10   WALL: 00:00:06.49   DATE:
18-Apr-97  20:58:55
 ** J =    5 JLPAR =-1 FINISHED;  CPU: 00:00:03.18   WALL: 00:00:06.70   DATE:
18-Apr-97  20:58:55
 ** J =    6 JLPAR =-1 FINISHED;  CPU: 00:00:03.28   WALL: 00:00:06.93   DATE:
18-Apr-97  20:58:55
 ** J =    7 JLPAR =-1 FINISHED;  CPU: 00:00:03.39   WALL: 00:00:07.18   DATE:
18-Apr-97  20:58:55
 ** J =    8 JLPAR =-1 FINISHED;  CPU: 00:00:03.49   WALL: 00:00:07.42   DATE:
18-Apr-97  20:58:56
 ** J =    9 JLPAR =-1 FINISHED;  CPU: 00:00:03.60   WALL: 00:00:07.66   DATE:
18-Apr-97  20:58:56
 ** J =   10 JLPAR =-1 FINISHED;  CPU: 00:00:03.72   WALL: 00:00:07.90   DATE:
18-Apr-97  20:58:56
 ** J =   11 JLPAR =-1 FINISHED;  CPU: 00:00:03.84   WALL: 00:00:08.15   DATE:
18-Apr-97  20:58:56
 ** J =   12 JLPAR =-1 FINISHED;  CPU: 00:00:03.95   WALL: 00:00:08.40   DATE:
18-Apr-97  20:58:57
 ** J =   13 JLPAR =-1 FINISHED;  CPU: 00:00:04.05   WALL: 00:00:08.64   DATE:
18-Apr-97  20:58:57
 ** J =   14 JLPAR =-1 FINISHED;  CPU: 00:00:04.17   WALL: 00:00:08.88   DATE:
18-Apr-97  20:58:57
 ** J =   15 JLPAR =-1 FINISHED;  CPU: 00:00:04.26   WALL: 00:00:09.12   DATE:
18-Apr-97  20:58:57
 ** J =   16 JLPAR =-1 FINISHED;  CPU: 00:00:04.38   WALL: 00:00:09.37   DATE:
18-Apr-97  20:58:58
 ** J =   17 JLPAR =-1 FINISHED;  CPU: 00:00:04.50   WALL: 00:00:09.62   DATE:
18-Apr-97  20:58:58
 ** J =   18 JLPAR =-1 FINISHED;  CPU: 00:00:04.59   WALL: 00:00:09.87   DATE:
18-Apr-97  20:58:58
 ** J =   19 JLPAR =-1 FINISHED;  CPU: 00:00:04.71   WALL: 00:00:10.11   DATE:
18-Apr-97  20:58:58
 ** J =   20 JLPAR =-1 FINISHED;  CPU: 00:00:04.81   WALL: 00:00:10.37   DATE:
18-Apr-97  20:58:58
 ===============================================================================
 **** END OF CALCULATION ****
      MAXIMUM NUMBER OF CHANNELS USED WAS:   12
      TIMING:  ELAPSED 00:00:10.37 / CPU 00:00:04.81
      CURRENT DATE:   18-Apr-97  20:58:58
 ===============================================================================
invoke the command to calculate tensor opacities using the previously determined S-matrix elements
 Hibridon> tenxsc,,,2,12,0,0,20,0,6

 CLOSE COUPLED TENSOR OPACITIES
 S-MATRICES READ FROM FILE Job1.smt
      WRITTEN:    18-Apr-97  20:58:49
      LABEL:     Test of N2+_He using Follmeg-Rosmus PES
      POT NAME:  WERNER-FOLLMEG VFIT
 DATE:     19-Apr-97  11:33:01

 ENERGY:     150.000 cm(-1)    MASS:       3.502
 SUMMING PARTIAL WAVES FROM JTOT=  0 TO JTOT= 20
 MAX(KI,KF) =  12;  0 .LE. LAMDA .LE.  2; MAXIMUM NUMBER OF BUFFERS = 88

 ROWS ARE INITIAL STATES; COLUMNS ARE FINAL STATES

 LEVEL LIST FOR TENSOR OPACITIES (OPEN CHANNELS)
   N     J   INDEX  EINT(cm-1)
   1     0     0       .000
   2     2     0     11.647
   3     4     0     38.824
   4     6     0     81.530

 TENSOR RANK K =  0

          1           2           3           4
   1   5.7615E+01  7.4164E+00  1.1063E+00  2.4119E-01
   2   8.0408E+00  6.0893E+01  7.6510E+00  1.5537E+00
   3   1.4927E+00  9.5213E+00  6.2248E+01  1.1240E+01
   4   5.2840E-01  3.1396E+00  1.8250E+01  1.9528E+02

 TENSOR RANK K =  1

          1           2           3           4
   1   0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   2   0.0000E+00  1.9277E+01  2.6477E+00  5.6589E-01
   3   0.0000E+00  3.2949E+00  2.2907E+01  4.5872E+00
   4   0.0000E+00  1.1435E+00  7.4483E+00  7.0434E+01

 TENSOR RANK K =  2

          1           2           3           4
   1   0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   2   0.0000E+00  3.0747E+01  2.9072E+00  5.3152E-01
   3   0.0000E+00  3.6178E+00  3.1337E+01  5.6917E+00
   4   0.0000E+00  1.0740E+00  9.2418E+00  1.0313E+02

 TENSOR RANK K =  3

          1           2           3           4
   1   0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   2   0.0000E+00  2.0631E+01  1.4603E+00  2.5402E-01
   3   0.0000E+00  1.8173E+00  2.4068E+01  3.7452E+00
   4   0.0000E+00  5.1329E-01  6.0812E+00  7.7594E+01

 TENSOR RANK K =  4

          1           2           3           4
   1   0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   2   0.0000E+00  1.8525E+01  1.0124E+00  1.5851E-01
   3   0.0000E+00  1.2598E+00  2.6156E+01  3.7356E+00
   4   0.0000E+00  3.2028E-01  6.0656E+00  8.8424E+01

 TENSOR RANK K =  5

          1           2           3           4
   1   0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   2   0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   3   0.0000E+00  0.0000E+00  2.1747E+01  2.5380E+00
   4   0.0000E+00  0.0000E+00  4.1211E+00  7.3450E+01

 TENSOR RANK K =  6

          1           2           3           4
   1   0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   2   0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   3   0.0000E+00  0.0000E+00  1.8666E+01  2.0980E+00
   4   0.0000E+00  0.0000E+00  3.4065E+00  7.8607E+01

 TENSOR RANK K =  7

          1           2           3           4
   1   0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   2   0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   3   0.0000E+00  0.0000E+00  1.6232E+01  1.0190E+00
   4   0.0000E+00  0.0000E+00  1.6545E+00  6.8420E+01

 TENSOR RANK K =  8

          1           2           3           4
   1   0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   2   0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   3   0.0000E+00  0.0000E+00  1.5733E+01  6.1201E-01
   4   0.0000E+00  0.0000E+00  9.9375E-01  6.1200E+01

 TENSOR RANK K =  9

          1           2           3           4
   1   0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   2   0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   3   0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   4   0.0000E+00  0.0000E+00  0.0000E+00  5.5055E+01

 TENSOR RANK K = 10

          1           2           3           4
   1   0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   2   0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   3   0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   4   0.0000E+00  0.0000E+00  0.0000E+00  5.1086E+01

 TENSOR RANK K = 11

          1           2           3           4
   1   0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   2   0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   3   0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   4   0.0000E+00  0.0000E+00  0.0000E+00  4.7580E+01

 TENSOR RANK K = 12

          1           2           3           4
   1   0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   2   0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   3   0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   4   0.0000E+00  0.0000E+00  0.0000E+00  4.7401E+01

 ** N = 0 COMPLETED, TIMING ELAPSED:  00:00:00.69 CPU:  00:00:00.26


 LAMBDA = 2; TENSOR RANK KI =  2 KF =  0

   0.0000D+00  0.0000D+00  0.0000D+00  0.0000D+00
  -5.0239D-01  8.4905D-01 -7.0825D-02 -4.2578D-02
  -1.3569D-01 -3.0421D-01  3.2569D-02 -6.5202D-02
  -3.3754D-02 -1.8178D-01 -1.9807D-01 -3.3377D+00

 LAMBDA = 2; TENSOR RANK KI =  1 KF =  1

   0.0000D+00  0.0000D+00  0.0000D+00  0.0000D+00
   0.0000D+00 -3.0967D+00 -4.4413D-01 -8.4407D-02
   0.0000D+00 -4.8892D-01 -2.8121D+00 -5.6800D-01
   0.0000D+00 -1.2682D-01 -6.9280D-01 -8.4882D+00

 LAMBDA = 2; TENSOR RANK KI =  3 KF =  1

   0.0000D+00  0.0000D+00  0.0000D+00  0.0000D+00
   0.0000D+00  2.4463D-01 -5.3970D-04 -9.0516D-03
   0.0000D+00 -1.8371D-01  2.1016D-01 -2.2562D-02
   0.0000D+00 -1.0601D-01 -2.6486D-01 -1.6847D-01

 LAMBDA = 2; TENSOR RANK KI =  0 KF =  2

   0.0000D+00 -4.4706D-01 -1.1929D-01 -2.7182D-02
   0.0000D+00 -3.3963D-01 -2.4957D-01 -1.3336D-01
   0.0000D+00 -1.9082D-01 -1.7290D+00 -3.6118D-01
   0.0000D+00 -1.3943D-01 -6.8548D-01 -7.2737D+00

 LAMBDA = 2; TENSOR RANK KI =  2 KF =  2

   0.0000D+00  0.0000D+00  0.0000D+00  0.0000D+00
   0.0000D+00  1.2200D+00  7.3636D-02 -7.2808D-03
   0.0000D+00  5.1055D-02  7.6011D-01  1.2909D-01
   0.0000D+00 -1.9080D-02  1.1716D-01  1.9806D+00

 LAMBDA = 2; TENSOR RANK KI =  4 KF =  2

   0.0000D+00  0.0000D+00  0.0000D+00  0.0000D+00
   0.0000D+00  1.4744D-01 -1.8512D-02 -5.7597D-03
   0.0000D+00 -1.0317D-01 -2.5833D-01 -4.1462D-02
   0.0000D+00 -5.4960D-02 -6.4032D-02 -2.0198D+00

 LAMBDA = 2; TENSOR RANK KI =  1 KF =  3

   0.0000D+00  0.0000D+00  0.0000D+00  0.0000D+00
   0.0000D+00  1.0461D-01 -1.8470D-01 -6.9772D-02
   0.0000D+00 -4.8252D-02  5.5818D-02 -3.0436D-01
   0.0000D+00 -3.9189D-02 -1.4779D-01 -5.9709D-01

 LAMBDA = 2; TENSOR RANK KI =  3 KF =  3

   0.0000D+00  0.0000D+00  0.0000D+00  0.0000D+00
   0.0000D+00 -9.3089D-01 -6.7535D-02 -1.9304D-02
   0.0000D+00 -9.3516D-02 -7.5760D-01 -1.1270D-01
   0.0000D+00 -2.1221D-02 -1.0328D-01 -3.2534D+00

 LAMBDA = 2; TENSOR RANK KI =  5 KF =  3

   0.0000D+00  0.0000D+00  0.0000D+00  0.0000D+00
   0.0000D+00  0.0000D+00  0.0000D+00  0.0000D+00
   0.0000D+00 -1.6474D-01  1.5455D-02 -5.4248D-03
   0.0000D+00 -5.7012D-02 -2.4616D-01 -7.5026D-01

 LAMBDA = 2; TENSOR RANK KI =  2 KF =  4

   0.0000D+00  0.0000D+00  0.0000D+00  0.0000D+00
   0.0000D+00 -4.7291D-02 -1.3930D-01 -7.0662D-02
   0.0000D+00 -2.6426D-02 -3.9101D-01 -1.9199D-01
   0.0000D+00 -1.9704D-02 -1.1101D-01 -2.1451D+00

 LAMBDA = 2; TENSOR RANK KI =  4 KF =  4

   0.0000D+00  0.0000D+00  0.0000D+00  0.0000D+00
   0.0000D+00  7.5323D-02 -3.4700D-03 -7.7584D-03
   0.0000D+00 -5.1147D-02  1.1490D-01  4.3525D-02
   0.0000D+00 -2.1627D-02 -1.0532D-03 -2.2328D-01

 LAMBDA = 2; TENSOR RANK KI =  6 KF =  4

   0.0000D+00  0.0000D+00  0.0000D+00  0.0000D+00
   0.0000D+00  0.0000D+00  0.0000D+00  0.0000D+00
   0.0000D+00 -6.6821D-02 -1.1014D-01 -4.5589D-02
   0.0000D+00 -2.2953D-02 -4.5505D-02 -1.4507D+00

 
to save space, i have deleted some of the tensor cross sections from this sample output here
 LAMBDA = 2; TENSOR RANK KI = 11 KF = 11

   0.0000D+00  0.0000D+00  0.0000D+00  0.0000D+00
   0.0000D+00  0.0000D+00  0.0000D+00  0.0000D+00
   0.0000D+00  0.0000D+00  0.0000D+00  0.0000D+00
   0.0000D+00  0.0000D+00  0.0000D+00 -8.8553D-01

 LAMBDA = 2; TENSOR RANK KI = 10 KF = 12

   0.0000D+00  0.0000D+00  0.0000D+00  0.0000D+00
   0.0000D+00  0.0000D+00  0.0000D+00  0.0000D+00
   0.0000D+00  0.0000D+00  0.0000D+00  0.0000D+00
   0.0000D+00  0.0000D+00  0.0000D+00 -3.7854D-01

 LAMBDA = 2; TENSOR RANK KI = 12 KF = 12

   0.0000D+00  0.0000D+00  0.0000D+00  0.0000D+00
   0.0000D+00  0.0000D+00  0.0000D+00  0.0000D+00
   0.0000D+00  0.0000D+00  0.0000D+00  0.0000D+00
   0.0000D+00  0.0000D+00  0.0000D+00 -3.5849D-01

 ** TENXSC FINAL TIMING, ELAPSED:  00:00:15.22  CPU:  00:00:14.01 **

 Hibridon> mrcrs

 CLOSE COUPLED M-RESOLVED CROSS SECTIONS
 K K'-MATRICES READ FROM FILE Job1.tcb
 WRITTEN:  19-Apr-97  11:33:01
 LABEL:   Test of N2+_He using Follmeg-Rosmus PES
 MAX(K, K') IN PREVIOUS CALCULATION =  12

Note that to ensure correct M-resolved cross sections for a transition from J to J', it is necessary that MAXK in the parameter list in the previously invoked TENXSC command be .GE. (J+J')

 WARNING: M-DEPENDENCE CORRECT ONLY FOR J+J' .LE. 12

 ROWS ARE INITIAL STATES, COLUMNS ARE FINAL STATES
 LAST COLUMN IS SUM OF THE ROW

 TRANSITION J1 =  0 -> J2 =  0, LAM =  0 , TOTAL CROSS SECTION =  5.761E+01

            0
    0  5.761E+01  5.761E+01


 TRANSITION J1 =  0 -> J2 =  0, LAM =  2 , TOTAL CROSS SECTION =  0.000E+00

            0
    0  0.000E+00  0.000E+00


 TRANSITION J1 =  0 -> J2 =  2, LAM =  0 , TOTAL CROSS SECTION =  1.658E+01

           -2         -1          0          1          2
    0  3.317E+00  3.317E+00  3.317E+00  3.317E+00  3.317E+00  1.658E+01


 TRANSITION J1 =  0 -> J2 =  2, LAM =  2 , TOTAL CROSS SECTION =  1.110E-16

           -2         -1          0          1          2
    0 -2.390E-01  1.195E-01  2.390E-01  1.195E-01 -2.390E-01  1.110E-16


 TRANSITION J1 =  0 -> J2 =  4, LAM =  0 , TOTAL CROSS SECTION =  3.319E+00

           -4         -3         -2         -1          0          1          2          3          4
    0  3.688E-01  3.688E-01  3.688E-01  3.688E-01  3.688E-01  3.688E-01  3.688E-01  3.688E-01  3.688E-01  3.319E+00


 TRANSITION J1 =  0 -> J2 =  4, LAM =  2 , TOTAL CROSS SECTION = -1.388E-17

           -4         -3         -2         -1          0          1          2          3          4
    0 -6.344E-02 -1.586E-02  1.813E-02  3.852E-02  4.532E-02  3.852E-02  1.813E-02 -1.586E-02 -6.344E-02 -1.388E-17


 TRANSITION J1 =  0 -> J2 =  6, LAM =  0 , TOTAL CROSS SECTION =  8.696E-01

           -6         -5         -4         -3         -2         -1          0          1          2
    0  6.690E-02  6.690E-02  6.690E-02  6.690E-02  6.690E-02  6.690E-02  6.690E-02  6.690E-02  6.690E-02

            3          4          5          6
    0  6.690E-02  6.690E-02  6.690E-02  6.690E-02  8.696E-01


 TRANSITION J1 =  0 -> J2 =  6, LAM =  2 , TOTAL CROSS SECTION =  8.674E-18

           -6         -5         -4         -3         -2         -1          0          1          2
    0 -1.336E-02 -6.682E-03 -1.215E-03  3.037E-03  6.075E-03  7.897E-03  8.505E-03  7.897E-03  6.075E-03

            3          4          5          6
    0  3.037E-03 -1.215E-03 -6.682E-03 -1.336E-02  8.674E-18


 TRANSITION J1 =  2 -> J2 =  0, LAM =  0 , TOTAL CROSS SECTION =  3.596E+00

            0
   -2  3.596E+00  3.596E+00
   -1  3.596E+00  3.596E+00
    0  3.596E+00  3.596E+00
    1  3.596E+00  3.596E+00
    2  3.596E+00  3.596E+00


 TRANSITION J1 =  2 -> J2 =  0, LAM =  2 , TOTAL CROSS SECTION =  2.220E-17

            0
   -2 -2.685E-01 -2.685E-01
   -1  1.343E-01  1.343E-01
    0  2.685E-01  2.685E-01
    1  1.343E-01  1.343E-01
    2 -2.685E-01 -2.685E-01


 TRANSITION J1 =  2 -> J2 =  2, LAM =  0 , TOTAL CROSS SECTION =  6.089E+01

           -2         -1          0          1          2
   -2  3.100E+01  6.457E+00  4.982E+00  6.998E+00  1.145E+01  6.089E+01
   -1  6.457E+00  2.879E+01  1.022E+01  8.429E+00  6.998E+00  6.089E+01
    0  4.982E+00  1.022E+01  3.049E+01  1.022E+01  4.982E+00  6.089E+01
    1  6.998E+00  8.429E+00  1.022E+01  2.879E+01  6.457E+00  6.089E+01
    2  1.145E+01  6.998E+00  4.982E+00  6.457E+00  3.100E+01  6.089E+01


 TRANSITION J1 =  2 -> J2 =  2, LAM =  2 , TOTAL CROSS SECTION =  3.847E-17

           -2         -1          0          1          2
   -2 -7.841E-01 -3.782E-01 -8.550E-02  5.229E-01  1.740E+00  1.015E+00
   -1 -9.180E-01 -6.956E-01  1.749E-01  8.081E-01  1.231E-01 -5.074E-01
    0 -5.667E-01 -5.426E-02  2.271E-01 -5.426E-02 -5.667E-01 -1.015E+00
    1  1.231E-01  8.081E-01  1.749E-01 -6.956E-01 -9.180E-01 -5.074E-01
    2  1.740E+00  5.229E-01 -8.550E-02 -3.782E-01 -7.841E-01  1.015E+00


 TRANSITION J1 =  2 -> J2 =  4, LAM =  0 , TOTAL CROSS SECTION =  1.026E+01

           -4         -3         -2         -1          0          1          2          3          4
   -2  3.075E+00  1.836E+00  1.116E+00  7.472E-01  5.989E-01  5.790E-01  6.331E-01  7.445E-01  9.346E-01  1.026E+01
   -1  5.973E-01  1.794E+00  1.975E+00  1.666E+00  1.241E+00  9.218E-01  7.798E-01  7.347E-01  5.545E-01  1.026E+01
    0  5.413E-01  5.932E-01  1.198E+00  1.788E+00  2.023E+00  1.788E+00  1.198E+00  5.932E-01  5.413E-01  1.026E+01
    1  5.545E-01  7.347E-01  7.798E-01  9.218E-01  1.241E+00  1.666E+00  1.975E+00  1.794E+00  5.973E-01  1.026E+01
    2  9.346E-01  7.445E-01  6.331E-01  5.790E-01  5.989E-01  7.472E-01  1.116E+00  1.836E+00  3.075E+00  1.026E+01


 TRANSITION J1 =  2 -> J2 =  4, LAM =  2 , TOTAL CROSS SECTION = -3.296E-17

           -4         -3         -2         -1          0          1          2          3          4
   -2 -2.900E-01 -4.278E-02 -1.066E-02 -1.570E-02 -9.368E-03  7.917E-03  3.368E-02  7.667E-02  1.366E-01 -1.136E-01
   -1 -1.085E-01 -1.331E-01  2.141E-02  7.117E-02  4.812E-02  3.819E-02  5.405E-02  4.203E-02  2.339E-02  5.679E-02
    0 -5.831E-02 -1.706E-02 -1.369E-02  7.860E-02  1.345E-01  7.860E-02 -1.369E-02 -1.706E-02 -5.831E-02  1.136E-01
    1  2.339E-02  4.203E-02  5.405E-02  3.819E-02  4.812E-02  7.117E-02  2.141E-02 -1.331E-01 -1.085E-01  5.679E-02
    2  1.366E-01  7.667E-02  3.368E-02  7.917E-03 -9.368E-03 -1.570E-02 -1.066E-02 -4.278E-02 -2.900E-01 -1.136E-01


 TRANSITION J1 =  2 -> J2 =  6, LAM =  0 , TOTAL CROSS SECTION =  2.505E+00

           -6         -5         -4         -3         -2         -1          0          1          2
   -2  5.357E-01  3.904E-01  2.844E-01  2.098E-01  1.596E-01  1.279E-01  1.099E-01  1.017E-01  1.005E-01
   -1  9.981E-02  2.433E-01  3.076E-01  3.178E-01  2.948E-01  2.555E-01  2.128E-01  1.753E-01  1.477E-01
    0  9.616E-02  9.412E-02  1.382E-01  2.009E-01  2.610E-01  3.031E-01  3.182E-01  3.031E-01  2.610E-01
    1  8.842E-02  1.106E-01  1.209E-01  1.307E-01  1.477E-01  1.753E-01  2.128E-01  2.555E-01  2.948E-01
    2  1.435E-01  1.251E-01  1.125E-01  1.043E-01  1.005E-01  1.017E-01  1.099E-01  1.279E-01  1.596E-01

            3          4          5          6
   -2  1.043E-01  1.125E-01  1.251E-01  1.435E-01  2.505E+00
   -1  1.307E-01  1.209E-01  1.106E-01  8.842E-02  2.505E+00
    0  2.009E-01  1.382E-01  9.412E-02  9.616E-02  2.505E+00
    1  3.178E-01  3.076E-01  2.433E-01  9.981E-02  2.505E+00
    2  2.098E-01  2.844E-01  3.904E-01  5.357E-01  2.505E+00


 TRANSITION J1 =  2 -> J2 =  6, LAM =  2 , TOTAL CROSS SECTION =  2.240E-17

           -6         -5         -4         -3         -2         -1          0          1          2
   -2 -1.047E-01 -2.644E-02  3.549E-03  1.022E-02  8.097E-03  4.553E-03  2.475E-03  2.307E-03  3.452E-03
   -1 -1.976E-02 -4.044E-02 -1.603E-02  1.163E-02  2.678E-02  2.867E-02  2.301E-02  1.604E-02  1.107E-02
    0 -1.471E-02 -7.041E-03 -9.599E-03 -1.101E-03  1.725E-02  3.507E-02  4.234E-02  3.507E-02  1.725E-02
    1 -5.727E-03 -4.379E-03  2.649E-03  7.524E-03  1.107E-02  1.604E-02  2.301E-02  2.867E-02  2.678E-02
    2 -1.668E-03  4.992E-03  6.103E-03  5.049E-03  3.452E-03  2.307E-03  2.475E-03  4.553E-03  8.097E-03

            3          4          5          6
   -2  5.049E-03  6.103E-03  4.992E-03 -1.668E-03 -8.206E-02
   -1  7.524E-03  2.649E-03 -4.379E-03 -5.727E-03  4.103E-02
    0 -1.101E-03 -9.599E-03 -7.041E-03 -1.471E-02  8.206E-02
    1  1.163E-02 -1.603E-02 -4.044E-02 -1.976E-02  4.103E-02
    2  1.022E-02  3.549E-03 -2.644E-02 -1.047E-01 -8.206E-02


 TRANSITION J1 =  4 -> J2 =  0, LAM =  0 , TOTAL CROSS SECTION =  4.976E-01

            0
   -4  4.976E-01  4.976E-01
   -3  4.976E-01  4.976E-01
   -2  4.976E-01  4.976E-01
   -1  4.976E-01  4.976E-01
    0  4.976E-01  4.976E-01
    1  4.976E-01  4.976E-01
    2  4.976E-01  4.976E-01
    3  4.976E-01  4.976E-01
    4  4.976E-01  4.976E-01


 TRANSITION J1 =  4 -> J2 =  0, LAM =  2 , TOTAL CROSS SECTION = -6.168E-18

            0
   -4 -7.216E-02 -7.216E-02
   -3 -1.804E-02 -1.804E-02
   -2  2.062E-02  2.062E-02
   -1  4.381E-02  4.381E-02
    0  5.154E-02  5.154E-02
    1  4.381E-02  4.381E-02
    2  2.062E-02  2.062E-02
    3 -1.804E-02 -1.804E-02
    4 -7.216E-02 -7.216E-02


 TRANSITION J1 =  4 -> J2 =  2, LAM =  0 , TOTAL CROSS SECTION =  7.097E+00

           -2         -1          0          1          2
   -4  3.827E+00  7.433E-01  6.736E-01  6.900E-01  1.163E+00  7.097E+00
   -3  2.285E+00  2.233E+00  7.382E-01  9.142E-01  9.265E-01  7.097E+00
   -2  1.389E+00  2.458E+00  1.491E+00  9.704E-01  7.879E-01  7.097E+00
   -1  9.299E-01  2.074E+00  2.225E+00  1.147E+00  7.206E-01  7.097E+00
    0  7.453E-01  1.544E+00  2.517E+00  1.544E+00  7.453E-01  7.097E+00
    1  7.206E-01  1.147E+00  2.225E+00  2.074E+00  9.299E-01  7.097E+00
    2  7.879E-01  9.704E-01  1.491E+00  2.458E+00  1.389E+00  7.097E+00
    3  9.265E-01  9.142E-01  7.382E-01  2.233E+00  2.285E+00  7.097E+00
    4  1.163E+00  6.900E-01  6.736E-01  7.433E-01  3.827E+00  7.097E+00


 TRANSITION J1 =  4 -> J2 =  2, LAM =  2 , TOTAL CROSS SECTION = -1.229E-18

           -2         -1          0          1          2
   -4 -3.555E-01 -8.109E-02 -6.147E-02  7.609E-03  1.286E-01 -3.618E-01
   -3 -8.383E-02 -1.391E-01  1.940E-02  6.343E-02  4.968E-02 -9.044E-02
   -2 -3.907E-02  2.762E-02  3.346E-02  5.404E-02  2.731E-02  1.034E-01
   -1 -3.224E-02  9.946E-02  9.550E-02  4.541E-02  1.150E-02  2.196E-01
    0 -1.254E-02  7.563E-02  1.322E-01  7.563E-02 -1.254E-02  2.584E-01
    1  1.150E-02  4.541E-02  9.550E-02  9.946E-02 -3.224E-02  2.196E-01
    2  2.731E-02  5.404E-02  3.346E-02  2.762E-02 -3.907E-02  1.034E-01
    3  4.968E-02  6.343E-02  1.940E-02 -1.391E-01 -8.383E-02 -9.044E-02
    4  1.286E-01  7.609E-03 -6.147E-02 -8.109E-02 -3.555E-01 -3.618E-01


 TRANSITION J1 =  4 -> J2 =  4, LAM =  0 , TOTAL CROSS SECTION =  6.225E+01

           -4         -3         -2         -1          0          1          2          3          4
   -4  3.013E+01  4.681E+00  2.874E+00  3.023E+00  3.210E+00  3.279E+00  3.598E+00  4.599E+00  6.856E+00  6.225E+01
   -3  4.681E+00  2.697E+01  6.371E+00  3.155E+00  2.916E+00  3.824E+00  4.633E+00  5.104E+00  4.599E+00  6.225E+01
   -2  2.874E+00  6.371E+00  2.483E+01  7.024E+00  4.386E+00  3.878E+00  4.655E+00  4.633E+00  3.598E+00  6.225E+01
   -1  3.023E+00  3.155E+00  7.024E+00  2.491E+01  7.896E+00  5.262E+00  3.878E+00  3.824E+00  3.279E+00  6.225E+01
    0  3.210E+00  2.916E+00  4.386E+00  7.896E+00  2.543E+01  7.896E+00  4.386E+00  2.916E+00  3.210E+00  6.225E+01
    1  3.279E+00  3.824E+00  3.878E+00  5.262E+00  7.896E+00  2.491E+01  7.024E+00  3.155E+00  3.023E+00  6.225E+01
    2  3.598E+00  4.633E+00  4.655E+00  3.878E+00  4.386E+00  7.024E+00  2.483E+01  6.371E+00  2.874E+00  6.225E+01
    3  4.599E+00  5.104E+00  4.633E+00  3.824E+00  2.916E+00  3.155E+00  6.371E+00  2.697E+01  4.681E+00  6.225E+01
    4  6.856E+00  4.599E+00  3.598E+00  3.279E+00  3.210E+00  3.023E+00  2.874E+00  4.681E+00  3.013E+01  6.225E+01


 TRANSITION J1 =  4 -> J2 =  4, LAM =  2 , TOTAL CROSS SECTION = -8.762E-17

           -4         -3         -2         -1          0          1          2          3          4
   -4 -1.060E+00 -2.845E-01 -2.243E-01 -7.381E-02  4.796E-02  1.918E-01  3.233E-01  4.557E-01  6.757E-01  5.196E-02
   -3 -6.341E-01 -7.526E-01 -6.671E-02 -8.727E-02  1.063E-01  2.101E-01  3.840E-01  6.074E-01  2.459E-01  1.299E-02
   -2 -6.395E-01 -3.575E-01 -4.366E-01  1.771E-01  1.463E-01  3.599E-01  5.432E-01  2.453E-01 -5.297E-02 -1.485E-02
   -1 -5.709E-01 -3.414E-01 -3.061E-02 -4.431E-02  4.398E-01  5.710E-01  2.705E-01 -5.533E-02 -2.704E-01 -3.155E-02
    0 -4.524E-01 -2.067E-01  2.551E-02  3.703E-01  4.896E-01  3.703E-01  2.551E-02 -2.067E-01 -4.524E-01 -3.712E-02
    1 -2.704E-01 -5.533E-02  2.705E-01  5.710E-01  4.398E-01 -4.431E-02 -3.061E-02 -3.414E-01 -5.709E-01 -3.155E-02
    2 -5.297E-02  2.453E-01  5.432E-01  3.599E-01  1.463E-01  1.771E-01 -4.366E-01 -3.575E-01 -6.395E-01 -1.485E-02
    3  2.459E-01  6.074E-01  3.840E-01  2.101E-01  1.063E-01 -8.727E-02 -6.671E-02 -7.526E-01 -6.341E-01  1.299E-02
    4  6.757E-01  4.557E-01  3.233E-01  1.918E-01  4.796E-02 -7.381E-02 -2.243E-01 -2.845E-01 -1.060E+00  5.196E-02

To save space in this sample output, I have deleted all cross sections with J or J' > 4

 ** MRCRS FINAL TIMING ELAPSED:  00:00:00.64 CPU:  00:00:00.55

 Hibridon> exit
 %

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