Example of the command PRINTS


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
Initiate execution of your code
% hib_arn2_161

 --------------------------------------------------------------------------
           HIBRIDON SCATTERING CODE V 4.0 04/03/96 17:25:12 EST

     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
 --------------------------------------------------------------------------
read in the input file, note that the name is in lower case.
the first character will be converted automatically to upper case) 
 Hibridon> inp=arn2_dxsec.inp
 NOPRIN = .TRUE., SO IPRINT SET TO -1
show the values of all variables and flags
Hibridon> show
     *** Parameters:
 JTOT1  =   0        JTOT2  =  20        JTOTD  =   1        JLPAR  =   0
 NERG   =   1        NUMAX  =   0        NUMIN  =   0        NUD    =   1
 LSCREEN=  48        IPRINT =   0
 FSTFAC =  15.00     RINCR  =  3.000     RCUT   =  30.00     RENDAI =  25.00
 RENDLD =  8.000     RSTART =  5.600     SPAC   =  .1500     TOLAI  =  1.150
 XMU    =  16.47
 NOUT:  4; JOUT:   0   2   4   6
 INDOUT:    0
     *** 1-SIGMA system parameters:
 NTERM  =   1        VMIN   =   0        VMAX   =   0        JMIN   =   0
 JMAX   =   4
 BROT   =  2.010     DROT   = 0.0000E+00 HROT   = 0.0000E+00 EVIB   = 0.0000E+00
 LAMMIN:    2
 LAMMAX:    2
 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= F    RSFLAG= F    T2TEST= F    TWOMOL= F    WAVEFL= F
 WRPART= F    WRSMAT= T    WRXSEC= F
 ** Maximum Channels:  161; Anisotropic Terms:  80
 ** Energies:      500.000000
 ** Label:            N2-Ar CC PATTENGILL POTENTIAL
 ** Pot name:      PATTENGILL-LABUDDE-BERNSTEIN AR-N2
 ** Input File:  Arn2_dxsec.inp
 ** Output file: Outpt
 ** Jobname:     Job

decrease the values of jmax and jtot2 to reduce the amount 
of output for this example
 Hibridon> jmax=2
 Hibridon> jtot2=4
run the code to generate S matrices.  These will be
saved in file {jobname}n.smt because the flag WRSMAT is .true.
 Hibridon> run
 NOPRIN = .TRUE., SO IPRINT SET TO -1
 ** J =    0 JLPAR = 1 FINISHED;  CPU: 00:00:00.00   WALL: 00:00:00.02   DATE:
15-Apr-96  10:57:54
 ** J =    1 JLPAR = 1 FINISHED;  CPU: 00:00:00.01   WALL: 00:00:00.03   DATE:
15-Apr-96  10:57:54
 ** J =    2 JLPAR = 1 FINISHED;  CPU: 00:00:00.03   WALL: 00:00:00.05   DATE:
15-Apr-96  10:57:54
 ** J =    3 JLPAR = 1 FINISHED;  CPU: 00:00:00.04   WALL: 00:00:00.07   DATE:
15-Apr-96  10:57:54
 ** J =    4 JLPAR = 1 FINISHED;  CPU: 00:00:00.06   WALL: 00:00:00.09   DATE:
15-Apr-96  10:57:54

 ** NCH = 0, MOVE ON TO NEXT PARTIAL WAVE
 ** J =    1 JLPAR =-1 FINISHED;  CPU: 00:00:00.06   WALL: 00:00:00.09   DATE:
15-Apr-96  10:57:54
 ** J =    2 JLPAR =-1 FINISHED;  CPU: 00:00:00.07   WALL: 00:00:00.11   DATE:
15-Apr-96  10:57:54
 ** J =    3 JLPAR =-1 FINISHED;  CPU: 00:00:00.08   WALL: 00:00:00.12   DATE:
15-Apr-96  10:57:54
 ** J =    4 JLPAR =-1 FINISHED;  CPU: 00:00:00.08   WALL: 00:00:00.14   DATE:
15-Apr-96  10:57:54
 ===============================================================================
 **** END OF CALCULATION ****
      MAXIMUM NUMBER OF CHANNELS USED WAS:    2
      TIMING:  ELAPSED 00:00:00.14 / CPU 00:00:00.08
      CURRENT DATE:   15-Apr-96  10:57:54
 ===============================================================================
now execute the PRINTS command.  This will print out all S
matrices of negative parity for 2 .le. JTOT .le. 4 
Hibridon> prints,,2,4,-1

 S-MATRICES READ FROM FILE Job1.smt
 WRITTEN:  15-Apr-96  10:57:54
 LABEL:         N2-Ar CC PATTENGILL POTENTIAL
 POT NAME:  PATTENGILL-LABUDDE-BERNSTEIN AR-N2
 ENERGY:    500.000
   N   J   INDEX   EINT(CM-1)
   1    0     0       .000
   2    2     0     12.060

 JTOT=   2  JLPAR=-1  NU=  0  NNOUT=  4

 ROW INDICES:
 N            1     2
 J            2     2
 L            1     3
 INDEX        0     0

 REAL PART OF THE S-MATRIX
           1           2
   1 -6.4560E-01
   2  6.2525E-01  2.6672E-01

 IMAGINARY PART OF THE S-MATRIX
           1           2
   1  4.6432E-02
   2 -4.3601E-01 -5.8976E-01

 JTOT=   3  JLPAR=-1  NU=  0  NNOUT=  4

 ROW INDICES:
 N            1     2
 J            2     2
 L            2     4
 INDEX        0     0

 REAL PART OF THE S-MATRIX
           1           2
   1  5.0896E-01
   2 -6.5871E-01 -8.3377E-02

 IMAGINARY PART OF THE S-MATRIX
           1           2
   1  3.8256E-03
   2  5.5411E-01  5.0210E-01

 JTOT=   4  JLPAR=-1  NU=  0  NNOUT=  4

 ROW INDICES:
 N            1     2
 J            2     2
 L            3     5
 INDEX        0     0

 REAL PART OF THE S-MATRIX
           1           2
   1 -4.3914E-01
   2  6.1278E-01 -4.2646E-02

 IMAGINARY PART OF THE S-MATRIX
           1           2
   1 -1.2202E-02
   2 -6.5689E-01 -4.3724E-01
 Hibridon> quit

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