Starting date and time: Thu Oct 31 11:49:24 CET 2019 Calculation run on nodes/processors: node04.octo.wks.gorlaeus.net node04.octo.wks.gorlaeus.net node04.octo.wks.gorlaeus.net node04.octo.wks.gorlaeus.net node04.octo.wks.gorlaeus.net node04.octo.wks.gorlaeus.net node04.octo.wks.gorlaeus.net node04.octo.wks.gorlaeus.net node04.octo.wks.gorlaeus.net node04.octo.wks.gorlaeus.net node04.octo.wks.gorlaeus.net node04.octo.wks.gorlaeus.net node04.octo.wks.gorlaeus.net node04.octo.wks.gorlaeus.net node04.octo.wks.gorlaeus.net node04.octo.wks.gorlaeus.net *** SPO-DVR program version 5.16 (Compiled using IFORT for X86 on Oct 31 2019 at 10:33:44) run on 20191031 at 114924.849 *** * Using the new style input format... * OpenMP enabled ... * MPI disabled ... * NAG calls disabled ... * FFTW library will be used for FFTs ... * Estimate FFTW plans will be used for FFTs ... * Generic code will be used for diagonalizations ... * Extra check calls enabled ... * The internal timers of module Timers are not used ... * The FFT over R is performed using a single call ... * Full potential energy operation optimization has been enabled... * Potential energy multiplication optimization has been disabled... * Kinetic energy multiplication optimization has been disabled ... * Optimization of the kinetic energy operator routine in Z on the scattering grid has been disabled ... * Setting up global data... * Calculated machines precision: 0.55511151E-16 * Using a maximum number of 16 threads in this run. * Setting up global data... * Preparing module inputfields for reading the input file ... * Trying to read input file "DVR.inp" ... * Input file read OK ... *** THE INPUT PARAMETERS SETUP INTERNALLY BY THE PROGRAM *** * The surface lattice constant in X (bohr): 0.48400000E+01 * The surface lattice constant in Y (bohr): 0.48400000E+01 * The asymptotic value in Z (bohr): 0.15000000E+02 * The cutoff value in r (bohr): 0.10000000E+04 * The unit cell skewing angle (degrees): 0.60000000E+02 * The unit cell point group: C6v NOTE: If the potential switching option is used to switch the potential faster to the gas phase, the Z-value at which the potential first reaches the gas phase, is the new asymptotic Z-value. *** THE INPUT READ *** * Title: v0j0mj0-0.4eV-1.2eV * SystemID: H2Cu111DaiLight * NewCalc: T * Z degree of freedom: T * R degree of freedom: T * X degree of freedom: T * Y degree of freedom: T * Theta degree of freedom: T * Phi degree of freedom: T * Mass of atom 1 (amu): 0.10078000E+01 * Mass of atom 2 (amu): 0.10078000E+01 * Homo-nuclear molecule: T * Number of points on the scattering grid in Z: 192 * Step size of the scattering Z (bohr): 0.10000000E+00 * Starting point of the scattering in Z (bohr): -0.10000000E+01 * Number of points on the specular grid in Z: 224 * Number of points on the scattering grid in r: 48 * Step size of the scattering r (bohr): 0.15000000E+00 * Starting point of the scattering in r (bohr): 0.80000000E+00 * Specular grid in r is identical to the scattering grid in r. * Number of points on the scattering grid in X: 20 * Number of points on the scattering grid in Y: 20 * Maximum J value in grid representation.: 36 * Maximum Mj value in grid representation.: 28 * The projection operator scheme used: using two grids all the way * Propagation method used: Split operator * Calculation starts at (aut): 0.00000000E+00 * Calculation ends at (aut): 0.16000000E+05 * Time step used in the propagation (aut): 0.20000000E+01 * Number of time steps taken: 8000 * Only performing a fine analysis: F * Also performing a fine analysis: T * Wave function analysed every (aut): 0.50000000E+02 * Averages printed every (aut): 0.50000000E+02 * Initially using a dynamical specular analysis surface: T * Wave function analysed at (bohr): 0.15200000E+02 * Maximum J analysed: determined by the program (see info Analysis) * Maximum V analysed: determined by the program (see info Analysis) * Maximum diffraction order analysed: determined by the program (see info Analysis) * Number of energies that are on-the-fly analysed: 8 * Lowest energy of the initial wave packet: 0.40000000E+00 * Highest energy of the initial wave packet: 0.12000000E+01 * Average position of the initial wave packet: 0.16800000E+02 * Initial rotational quantum number J: 0 * Initial rotational quantum number Mj: 0 * Initial rotational quantum number V: 0 * Only computing the potential: F * Imposing a minimum value on the potential: F * Imposing a maximum value on the potential: T * Maximum value imposed on the potential: 0.10000000E+02 * Using symmetry in setting up the potential: T * Will try to find an optimal number of phis: F * Potential mixing alfa value: 0.00000000E+00 * Using a quadratic optical potential on the scattering grid in Z: * Optical potential in Z start at (bohr): 0.15200000E+02 * Optical potential in Z ends at (bohr): 0.18100000E+02 * Optical potential in Z absorbs optimally for (eV): 0.30000000E+00 * Using a quadratic optical potential on the scattering grid in r: * Optical potential in r start at (bohr): 0.45500000E+01 * Optical potential in r ends at (bohr): 0.78500000E+01 * Optical potential in r absorbs optimally for (eV): 0.25000000E+00 * Using a quadratic optical potential on the specular grid in Z: * Optical potential in Z start at (bohr): 0.18800000E+02 * Optical potential in Z ends at (bohr): 0.21300000E+02 * Optical potential in Z specular absorbs optimally for (eV 0.25000000E+00 * Initial energy parallel to the surface (eV): 0.00000000E+00 * Azimuthal angle of the incident molecule (degrees): 0.00000000E+00 * Using a switching function for the potential in Z: F * Switching function starts at (bohr): 0.65000000E+01 * Switching function ends at (bohr): 0.70000000E+01 * S-matrix elements written to file 3: T * Rot-vib-diff resolved probs written to file 25: T * Rot-diff resolved probs written to file 10: T * Dumping debug information to file: F * Dumping full S-matrix to file fil10: F * Tolerance for transferring the wavefunction (nproj = 2): 0.10000000E-08 * Validating the input... * Processing the input... *** THE INPUT FOR ROTATIONAL DEGREES OF FREEDOM *** * J in: 0 * Mj in: 0 * Maximum J value in grid rep.: 36 * HomeNuclear: T * A general MjIn independant grid will be used ... *** CONTINUING SETUP I *** * Setting up the FFT module ... * Setting up legendre module with JMax + 1 = 37 ... * Setting up the angular grid module with JMax = 36 ... * The nearest size allowed by FFT routines ( 60 ) for phi grid will be used ... * Setting up the angular grid and basis functions... *** THE GRID PARAMETERS *** * Number of phi's : 60 * Delta value in phi coordinate : 0.104719755119660 * Number of theta's : 19 * JMax in basis set : 36 * JMin in basis set : 0 * Delta J in basis set : 2 * Grid has been set up for JIn = 0 , MjIn = 0 ... *** CONTINUING SETUP II *** * Setting up the angular DVR/FBR transform module and the transformation matric es ... *** SETUP DONE *** ******************************************************************************** INFO FROM MISCELLANEOUS SETUP ******************************************************************************** grid interval size in kz dir. (scat. grid) = 0.327249 grid interval size in kz dir. (spec. grid) = 0.280499 initial momentum in z direction = 14.197463 grid interval size in kr dir. = 0.872665 grid interval size in kx dir. = 1.499008 initial momentum in reciprocal x direction = 0.000000 grid interval size in ky dir. = 1.499008 initial momentum in reciprocal y direction = 0.000000 For backward compatibility: nmoder = 4 asymptotic analysis at z = 15.200000 No flux analysis performed. nzpot = 160 optical potential in z scat.grid: nzchsp = 163 z(nzchsp)= 15.200000 optical potential in z scat.grid: nzchmx = 192 z(nzchmx)= 18.100000 optical potential in z spec.grid: nschsp = 199 z(nschsp)= 18.800000 optical potential in z spec.grid: nschmx = 224 z(nschmx)= 21.300000 optical potential in r scat.grid: nrchsp = 26 r(nrchsp)= 4.550000 optical potential in r scat.grid: nrchmx = 48 r(nrchmx)= 7.850000 max kinetic energy in r (ev) = 6.497306 with current time interval in the analysis the max total energy for which results can be obtained (eV) = 1.709743 zero of etot is energy lowest h2 state the 95% confidence interval defined by alfwv and enrgy: ectmin (ev) = 0.400000 ectmax (ev) = 1.200000 Total time for potential initialisation = 0.23126602E-04 secs * Grids are setup! * 5-Mode arrays are allocated! * 4-Mode arrays are allocated! ******************************************************************************** INFO FROM SETTING UP THE INTERACTION POTENTIAL ******************************************************************************** * Setting up the H2Cu111DaiLight PES... Number of points in Z for which the potential is calculated = 160 Number of points in r for which the potential is calculated = 48 Number of points in (x,y) for which the potential is calculated = 44 Number of points in theta for which the potential is calculated = 19 Number of points in phi for which the potential is calculated = 60 iz = 1 iz = 2 iz = 3 iz = 4 iz = 5 iz = 6 iz = 7 iz = 8 iz = 9 iz = 10 iz = 11 iz = 12 iz = 13 iz = 14 iz = 15 iz = 16 iz = 17 iz = 18 iz = 19 iz = 20 iz = 21 iz = 22 iz = 23 iz = 24 iz = 25 iz = 26 iz = 27 iz = 28 iz = 29 iz = 30 iz = 31 iz = 32 iz = 33 iz = 34 iz = 35 iz = 36 iz = 37 iz = 38 iz = 39 iz = 40 iz = 41 iz = 42 iz = 43 iz = 44 iz = 45 iz = 46 iz = 47 iz = 48 iz = 49 iz = 50 iz = 51 iz = 52 iz = 53 iz = 54 iz = 55 iz = 56 iz = 57 iz = 58 iz = 59 iz = 60 iz = 61 iz = 62 iz = 63 iz = 64 iz = 65 iz = 66 iz = 67 iz = 68 iz = 69 iz = 70 iz = 71 iz = 72 iz = 73 iz = 74 iz = 75 iz = 76 iz = 77 iz = 78 iz = 79 iz = 80 iz = 81 iz = 82 iz = 83 iz = 84 iz = 85 iz = 86 iz = 87 iz = 88 iz = 89 iz = 90 iz = 91 iz = 92 iz = 93 iz = 94 iz = 95 iz = 96 iz = 97 iz = 98 iz = 99 iz = 100 iz = 101 iz = 102 iz = 103 iz = 104 iz = 105 iz = 106 iz = 107 iz = 108 iz = 109 iz = 110 iz = 111 iz = 112 iz = 113 iz = 114 iz = 115 iz = 116 iz = 117 iz = 118 iz = 119 iz = 120 iz = 121 iz = 122 iz = 123 iz = 124 iz = 125 iz = 126 iz = 127 iz = 128 iz = 129 iz = 130 iz = 131 iz = 132 iz = 133 iz = 134 iz = 135 iz = 136 iz = 137 iz = 138 iz = 139 iz = 140 iz = 141 iz = 142 iz = 143 iz = 144 iz = 145 iz = 146 iz = 147 iz = 148 iz = 149 iz = 150 iz = 151 iz = 152 iz = 153 iz = 154 iz = 155 iz = 156 iz = 157 iz = 158 iz = 159 iz = 160 Saving H2Cu111DaiLight PES into file : ./H2Cu111DaiLight_160_-1.000_0.100_48_0.800_0.150_20_20_4.840_36_28.pes * Imposing a maximum on the potential; vmax (eV) = 0.10000000E+02 Total time setting up the potential = 0.44827316E+02 secs ******************************************************************************** INFO FROM SETTING UP THE ROVIBARIONAL ASYMPTOTIC POTENTIAL ******************************************************************************** The gas phase vibrational potential for Z = 15.0000000000000 r(Bohr) V(eV) --------------------------------------------- 0.800000000000000 -1.29276651691667 0.950000000000000 -3.10377701865572 1.10000000000000 -4.12636689687552 1.25000000000000 -4.61375300425259 1.40000000000000 -4.74566816000000 1.55000000000000 -4.64876046219645 1.70000000000000 -4.41145070381661 1.85000000000000 -4.09473693502058 2.00000000000000 -3.74003743319513 2.15000000000000 -3.37487149829848 2.30000000000000 -3.01696341727750 2.45000000000000 -2.67719795329179 2.60000000000000 -2.36174062453888 2.75000000000000 -2.07355169133745 2.90000000000000 -1.81346098089371 3.05000000000000 -1.58092543597296 3.20000000000000 -1.37455816434398 3.35000000000000 -1.19249355210690 3.50000000000000 -1.03263530956631 3.65000000000000 -0.892821399726447 3.80000000000000 -0.770930377899608 3.95000000000000 -0.664946808489691 4.10000000000000 -0.572998434182264 4.25000000000000 -0.493374149647834 4.40000000000000 -0.424529207306810 4.55000000000000 -0.365082186417763 4.70000000000000 -0.313806890927582 4.85000000000000 -0.269621361498093 5.00000000000000 -0.231575487180747 5.15000000000000 -0.198838205163101 5.30000000000000 -0.170684926563909 5.45000000000000 -0.146485581403054 5.60000000000000 -0.125693506795470 5.75000000000000 -0.107835287463201 5.90000000000000 -9.250158114192657E-002 6.05000000000000 -7.933891204381714E-002 6.20000000000000 -6.804238506364567E-002 6.35000000000000 -5.834925602088317E-002 6.50000000000000 -5.003328473224171E-002 6.65000000000000 -4.289979513435141E-002 6.80000000000000 -3.678136792885323E-002 6.95000000000000 -3.153409483714516E-002 7.10000000000000 -2.703432851734422E-002 7.25000000000000 -2.317586782330425E-002 7.40000000000000 -1.986752391619913E-002 7.55000000000000 -1.703101847680785E-002 7.70000000000000 -1.459917072808982E-002 7.85000000000000 -1.251433505809098E-002 * Imposing a maximum on the potential; vmax (eV) = 0.10000000E+02 ******************************************************************************** INFO FROM SETTING UP THE ASYMPTOTIC ROVIBRATIONAL STATES ******************************************************************************** asymptotic molecular vibrational wave functions v j e(ev) erel(ev) psi(1) psi(nr) norm 0 0 -4.477030 0.000000 0.1848586D-01 0.1475537D-02 1.0000000 1.4427946 0 1 -4.462214 0.014815 0.1789900D-01 0.1424805D-02 1.0000000 1.4450389 0 2 -4.432725 0.044304 0.1678050D-01 0.1328483D-02 1.0000000 1.4495097 0 3 -4.388839 0.088190 0.1523221D-01 0.1196007D-02 1.0000000 1.4561729 0 4 -4.330960 0.146069 0.1338742D-01 0.1039588D-02 1.0000000 1.4649803 0 5 -4.259603 0.217427 0.1139196D-01 0.8723799D-03 1.0000000 1.4758727 0 6 -4.175379 0.301651 0.9385476D-02 0.7066913D-03 1.0000000 1.4887836 0 7 -4.078978 0.398052 0.7486124D-02 0.5525798D-03 1.0000000 1.5036432 0 8 -3.971150 0.505880 0.5780714D-02 0.4170311D-03 1.0000000 1.5203813 0 9 -3.852687 0.624342 0.4321191D-02 0.3037626D-03 1.0000000 1.5389314 0 10 -3.724413 0.752617 0.3126699D-02 0.2135577D-03 1.0000000 1.5592327 0 11 -3.587161 0.889869 0.2189671D-02 0.1449461D-03 1.0000000 1.5812326 0 12 -3.441771 1.035258 0.1483931D-02 0.9502162D-04 1.0000000 1.6048887 0 13 -3.289076 1.187953 0.9729756D-03 0.6022029D-04 1.0000000 1.6301697 0 14 -3.129897 1.347133 0.6170688D-03 0.3694159D-04 1.0000000 1.6570573 0 15 -2.965034 1.511996 0.3784236D-03 0.2196471D-04 1.0000000 1.6855468 0 16 -2.795267 1.681763 0.2243322D-03 0.1266412D-04 1.0000000 1.7156482 0 17 -2.621352 1.855678 0.1285070D-03 0.7063067D-05 1.0000000 1.7473876 0 18 -2.444019 2.033010 0.7111284D-04 0.3776900D-05 1.0000000 1.7808088 0 19 -2.263974 2.213056 0.3800496D-04 0.1897318D-05 1.0000000 1.8159749 0 20 -2.081896 2.395134 0.1961080D-04 0.8597425D-06 1.0000000 1.8529708 0 21 -1.898443 2.578587 0.9766609D-05 0.3235054D-06 1.0000000 1.8919070 0 22 -1.714251 2.762779 0.4690267D-05 0.8115323D-07 1.0000000 1.9329238 0 23 -1.529938 2.947092 0.2167615D-05 0.8210360D-09 1.0000000 1.9761974 0 24 -1.346107 3.130923 0.9603085D-06 -0.3801870D-08 1.0000000 2.0219489 0 25 -1.163350 3.313680 0.4053078D-06 0.1361482D-07 1.0000000 2.0704559 0 26 -0.982252 3.494777 0.1617050D-06 0.2574427D-07 1.0000000 2.1220703 0 27 -0.803400 3.673630 0.6064207D-07 0.2515729D-07 1.0000000 2.1772432 0 28 -0.627387 3.849642 0.2150481D-07 0.1598314D-07 1.0000000 2.2365642 0 29 -0.454827 4.022203 0.7456608D-08 0.5567063D-08 1.0000000 2.3008226 0 30 -0.286364 4.190665 0.2690772D-08 -0.1136768D-08 1.0000000 2.3711115 0 31 -0.122703 4.354326 -0.1039650D-08 0.3209770D-08 1.0000000 2.4490129 0 32 0.035361 4.512391 -0.4021495D-09 0.2179053D-08 1.0000000 2.5369656 0 33 0.186873 4.663902 0.1106458D-08 0.2924488D-07 1.0000000 2.6390968 0 34 0.330576 4.807605 0.6244403D-06 0.1979023D-04 1.0000000 2.7635772 0 35 0.379995 4.857024 0.8985617D-02 0.2992250D+00 1.0000000 7.0927533 0 36 0.401350 4.878380 0.8808692D-02 0.3094178D+00 1.0000000 7.1147806 1 0 -3.963235 0.513794 0.5132066D-01 0.4807261D-02 1.0000000 1.5326456 1 1 -3.949006 0.528023 0.4976106D-01 0.4648362D-02 1.0000000 1.5350897 1 2 -3.920695 0.556335 0.4677990D-01 0.4345810D-02 1.0000000 1.5399582 1 3 -3.878587 0.598442 0.4263372D-01 0.3927765D-02 1.0000000 1.5472126 1 4 -3.823100 0.653930 0.3766212D-01 0.3431092D-02 1.0000000 1.5567992 1 5 -3.754762 0.722268 0.3224281D-01 0.2896129D-02 1.0000000 1.5686528 1 6 -3.674198 0.802831 0.2674526D-01 0.2361412D-02 1.0000000 1.5827008 1 7 -3.582110 0.894919 0.2149067D-01 0.1859312D-02 1.0000000 1.5988683 1 8 -3.479257 0.997773 0.1672402D-01 0.1413235D-02 1.0000000 1.6170823 1 9 -3.366436 1.110594 0.1260123D-01 0.1036627D-02 1.0000000 1.6372753 1 10 -3.244469 1.232561 0.9190817D-02 0.7336296D-03 1.0000000 1.6593887 1 11 -3.114188 1.362842 0.6486967D-02 0.5009139D-03 1.0000000 1.6833754 1 12 -2.976426 1.500604 0.4429334D-02 0.3300890D-03 1.0000000 1.7092016 1 13 -2.832005 1.645025 0.2924742D-02 0.2101382D-03 1.0000000 1.7368486 1 14 -2.681733 1.795297 0.1866850D-02 0.1294759D-03 1.0000000 1.7663144 1 15 -2.526397 1.950633 0.1151336D-02 0.7742025D-04 1.0000000 1.7976153 1 16 -2.366762 2.110268 0.6857201D-03 0.4504908D-04 1.0000000 1.8307872 1 17 -2.203569 2.273461 0.3942077D-03 0.2551848D-04 1.0000000 1.8658880 1 18 -2.037535 2.439495 0.2186467D-03 0.1398247D-04 1.0000000 1.9030006 1 19 -1.869352 2.607678 0.1169657D-03 0.7265280D-05 1.0000000 1.9422360 1 20 -1.699691 2.777338 0.6033803D-04 0.3426415D-05 1.0000000 1.9837387 1 21 -1.529203 2.947826 0.3001001D-04 0.1332359D-05 1.0000000 2.0276931 1 22 -1.358522 3.118508 0.1438264D-04 0.3126372D-06 1.0000000 2.0743332 1 23 -1.188268 3.288761 0.6630402D-05 -0.6477473D-07 1.0000000 2.1239555 1 24 -1.019055 3.457974 0.2928020D-05 -0.1052599D-06 1.0000000 2.1769381 1 25 -0.851494 3.625536 -0.1229309D-05 0.2280329D-07 1.0000000 2.2337687 1 26 -0.686200 3.790830 0.4853794D-06 0.5567670D-07 1.0000000 2.2950870 1 27 -0.523806 3.953223 0.1782675D-06 0.8227786D-07 1.0000000 2.3617527 1 28 -0.364977 4.112052 0.6084680D-07 0.6392419D-07 1.0000000 2.4349580 1 29 -0.210429 4.266601 0.1990624D-07 0.2941816D-07 1.0000000 2.5164293 1 30 -0.060968 4.416062 -0.6744530D-08 -0.2486794D-08 1.0000000 2.6088185 1 31 0.082449 4.559478 -0.1999446D-08 0.2229379D-07 1.0000000 2.7165670 1 32 0.218580 4.695610 0.5934791D-07 0.1735311D-05 1.0000000 2.8482092 1 33 0.338602 4.815631 0.9323001D-02 0.2777787D+00 1.0000000 7.0406615 1 34 0.359083 4.836112 0.9158667D-02 0.2887111D+00 1.0000000 7.0683539 1 35 0.461461 4.938490 0.9215371D-02 0.3022111D+00 1.0000000 6.4310540 1 36 0.487706 4.964736 0.9177466D-02 0.3172255D+00 1.0000000 6.5095509 2 0 -3.480763 0.996267 0.1023433D+00 0.1125496D-01 1.0000000 1.6293736 2 1 -3.467153 1.009877 0.9938070D-01 0.1089906D-01 1.0000000 1.6320389 2 2 -3.440083 1.036946 0.9369881D-01 0.1021923D-01 1.0000000 1.6373484 2 3 -3.399849 1.077181 0.8575390D-01 0.9274954D-02 1.0000000 1.6452614 2 4 -3.346877 1.130153 0.7615904D-01 0.8145234D-02 1.0000000 1.6557205 2 5 -3.281706 1.195323 0.6560996D-01 0.6918134D-02 1.0000000 1.6686562 2 6 -3.204974 1.272056 0.5480444D-01 0.5679823D-02 1.0000000 1.6839915 2 7 -3.117388 1.359642 0.4436795D-01 0.4504908D-02 1.0000000 1.7016483 2 8 -3.019712 1.457317 0.3479680D-01 0.3449620D-02 1.0000000 1.7215522 2 9 -2.912746 1.564283 0.2642625D-01 0.2548670D-02 1.0000000 1.7436375 2 10 -2.797309 1.679721 0.1942528D-01 0.1815739D-02 1.0000000 1.7678509 2 11 -2.674226 1.802804 0.1381465D-01 0.1246816D-02 1.0000000 1.7941543 2 12 -2.544319 1.932711 0.9500543D-02 0.8251808D-03 1.0000000 1.8225275 2 13 -2.408399 2.068630 0.6314929D-02 0.5267873D-03 1.0000000 1.8529705 2 14 -2.267261 2.209769 0.4054622D-02 0.3250829D-03 1.0000000 1.8855059 2 15 -2.121677 2.355353 0.2513125D-02 0.1946915D-03 1.0000000 1.9201808 2 16 -1.972399 2.504631 0.1502641D-02 0.1137774D-03 1.0000000 1.9570697 2 17 -1.820153 2.656877 0.8660883D-03 0.6517626D-04 1.0000000 1.9962781 2 18 -1.665646 2.811384 0.4808987D-03 0.3652640D-04 1.0000000 2.0379475 2 19 -1.509561 2.967469 0.2571146D-03 0.1969197D-04 1.0000000 2.0822627 2 20 -1.352563 3.124467 0.1323420D-03 0.9785595D-05 1.0000000 2.1294617 2 21 -1.195303 3.281726 0.6558123D-04 0.4082839D-05 1.0000000 2.1798484 2 22 -1.038422 3.438608 0.3128278D-04 0.1074228D-05 1.0000000 2.2338130 2 23 -0.882552 3.594478 0.1434495D-04 -0.1909329D-06 1.0000000 2.2918596 2 24 -0.728332 3.748698 0.6297676D-05 -0.4345611D-06 1.0000000 2.3546496 2 25 -0.576411 3.900619 -0.2624300D-05 0.2303132D-06 1.0000000 2.4230697 2 26 -0.427463 4.049567 0.1023826D-05 0.3027801D-07 1.0000000 2.4983430 2 27 -0.282210 4.194820 0.3678875D-06 0.1641295D-06 1.0000000 2.5822236 2 28 -0.141451 4.335579 0.1206725D-06 0.1591278D-06 1.0000000 2.6773657 2 29 -0.006116 4.470913 0.3736072D-07 0.9581881D-07 1.0000000 2.7881011 2 30 0.122624 4.599653 0.3250488D-07 0.5579099D-06 1.0000000 2.9223712 2 31 0.243107 4.720137 0.2688707D-05 0.7187609D-04 1.0000000 3.0980984 2 32 0.318536 4.795566 0.9472110D-02 0.2663148D+00 1.0000000 7.0090819 2 33 0.345561 4.822591 0.9602960D-04 0.2857377D-02 1.0000000 3.0255628 2 34 0.435354 4.912383 0.9230146D-02 0.2867812D+00 1.0000000 6.3727041 2 35 0.464525 4.941555 0.8227285D-03 0.2696518D-01 1.0000000 2.9570418 2 36 0.559250 5.036280 0.8893212D-02 0.3033138D+00 1.0000000 5.9035651 energy initial v,j state = -4.477030 potential energy = -4.609390 rotational energy = 0.000000 vibrational energy = 0.132360 rovibrational energy = 0.132360 expectation value r = 1.442795 ******************************************************************************** INFO FROM SETTING UP THE DIFFRACTION BASIS ******************************************************************************** WARNING: Diffractional basis too small to describe all open channels! 400 diffraction channels in basis (ndftow) * Number of diffraction states analysed, ndifa = 271 * Highest diffraction order, maxord = 19 * Largest number of diffraction states that belong to the same diffraction order, maxnum = 54 ******************************************************************************** INFO FROM SETTING UP THE ROTATION BASIS ******************************************************************************** 663 rotation channels in basis (nrotw) * number of rotational states analysed, nana = 91 * initial rotational state in basis, ichn = 323 ******************************************************************************** INFO FROM SETTING UP THE ROTATION-DIFFRACTION BASIS ******************************************************************************** ***** rotation-diffraction channels in basis (nstatw) * Number of rotation-diffraction analysed, nstata = 24661 * Index of initial rot-dif channel in basis, inchna = 11383 ******************************************************************************** INFO FROM SETTING UP THE OPTICAL POTENTIALS ******************************************************************************** * Optical potential in Z absorbs with coefficient: 0.20911695E-01 * Optical potential in r absorbs with coefficient: 0.22683430E-01 * Optical potential in Z specular absorbs with coefficient: 0.19795027E-01 ******************************************************************************** INFO FROM SETTING UP THE GRID ENERGIES ******************************************************************************** * Maximum diffraction order included on the momentum grid = 9 * Number of diffraction channels included = 271 * Number of diffraction channels excluded = 129 * initial parallel energy (eV) = 0.00000000E+00 ******************************************************************************** INFO FROM SETTING UP THE KINETIC ENERGY OPERATORS ******************************************************************************** ******************************************************************************** INFO FROM SETTING UP THE WAVE FUNCTION ******************************************************************************** * Norm initial wave packet (Z,r) = 0.10000000E+01 * Absolute value of the wave function in momentum space: - at k = 0 0.40916326E-06 - at the end/beginning of the grid 0.58046226E-09 - maximum value = 0.45760249E+00 * Grid point boundaries between which initial wave packet must be located: - Low boundary (asymptotic value of Z), iLow = 163 - High boundary (start of opt. pot on spec. grid), iHigh = 198 * Norm of the initial wave packet between iLow and iHigh = 0.10000000E+01 ******************************************************************************** INFO FROM SETTING UP THE ANALYSIS ******************************************************************************** * Tolerance for fixing the dynamical analysis surface on the specular grid = 0.10000000E-08 * Maximum j in analysis: jana = 12 * Maximum v in analysis: nviba = 3 * Maximum diffraction order in analysis: mdifa = 9 ******************************************************************************** INFO FROM SETTING UP THE SPLIT OPERATOR PROPAGATOR ******************************************************************************** ----- Split operator propagator set up ----- ******************************************************************************** INFO ON PROPAGATING THE WAVE PACKET ******************************************************************************** time norm z r rest norm 0.00000000E+00 1.00000000 16.80000000 1.44279460 0.10000000E+01 0.50000000E+02 0.99999894 16.60679608 1.44280142 0.99999882E+00 0.10000000E+03 0.99999785 16.41359217 1.44280747 0.99999158E+00 0.15000000E+03 0.99999676 16.22038825 1.44280740 0.99981125E+00 0.20000000E+03 0.99999567 16.02718434 1.44280659 0.99715191E+00 0.25000000E+03 0.99999458 15.83398044 1.44280473 0.97739737E+00 0.30000000E+03 0.99999349 15.64077672 1.44279846 0.90071418E+00 0.35000000E+03 0.99999240 15.44757406 1.44279518 0.73282221E+00 0.40000000E+03 0.99999131 15.25437505 1.44280368 0.50522000E+00 0.45000000E+03 0.99999022 15.06118373 1.44280844 0.29477590E+00 0.50000000E+03 0.99998913 14.86800359 1.44280631 0.14944522E+00 0.55000000E+03 0.99998803 14.67483580 1.44280436 0.68289021E-01 0.60000000E+03 0.99998694 14.48167957 1.44280109 0.29155685E-01 0.65000000E+03 0.99998585 14.28853360 1.44279505 0.11992100E-01 0.70000000E+03 0.99998476 14.09539701 1.44279444 0.48675232E-02 0.75000000E+03 0.99998366 13.90226957 1.44280392 0.19848251E-02 ==> ZAnalysis on specular channel fixed at Z = 0.17100000E+02 0.80000000E+03 0.99998257 13.70915168 1.44280741 0.82346993E-03 0.85000000E+03 0.99998147 13.51604411 1.44280362 0.35060368E-03 0.90000000E+03 0.99998037 13.32294791 1.44280148 0.15403266E-03 0.95000000E+03 0.99997928 13.12986437 1.44279772 0.70053131E-04 0.10000000E+04 0.99997818 12.93679497 1.44279280 0.33032106E-04 0.10500000E+04 0.99997707 12.74374143 1.44279478 0.16155106E-04 0.11000000E+04 0.99997597 12.55070563 1.44280432 0.81915416E-05 0.11500000E+04 0.99997487 12.35768976 1.44280581 0.43020681E-05 0.12000000E+04 0.99997376 12.16469624 1.44280045 0.23370091E-05 0.12500000E+04 0.99997265 11.97172782 1.44279860 0.13111018E-05 0.13000000E+04 0.99997154 11.77878759 1.44279480 0.75835353E-06 0.13500000E+04 0.99997042 11.58587906 1.44279187 0.45144446E-06 0.14000000E+04 0.99996930 11.39300616 1.44279665 0.27610294E-06 0.14500000E+04 0.99996818 11.20017335 1.44280637 0.17319454E-06 0.15000000E+04 0.99996705 11.00738568 1.44280673 0.11124994E-06 0.15500000E+04 0.99996592 10.81464884 1.44280189 0.73066609E-07 0.16000000E+04 0.99996477 10.62196931 1.44280265 0.48998625E-07 0.16500000E+04 0.99996362 10.42935440 1.44280224 0.33505430E-07 0.17000000E+04 0.99996246 10.23681243 1.44280538 0.23332969E-07 0.17500000E+04 0.99996130 10.04435286 1.44281745 0.16528348E-07 0.18000000E+04 0.99996012 9.85198644 1.44283336 0.11896490E-07 0.18500000E+04 0.99995893 9.65972541 1.44284135 0.86918202E-08 0.19000000E+04 0.99995773 9.46758377 1.44284943 0.64401421E-08 0.19500000E+04 0.99995651 9.27557749 1.44286862 0.48353580E-08 0.20000000E+04 0.99995527 9.08372491 1.44289259 0.36761311E-08 0.20500000E+04 0.99995401 8.89204705 1.44292869 0.28278769E-08 0.21000000E+04 0.99995273 8.70056816 1.44298339 0.21996747E-08 0.21500000E+04 0.99995142 8.50931620 1.44305200 0.17291341E-08 0.22000000E+04 0.99995008 8.31832362 1.44313024 0.13728258E-08 0.22500000E+04 0.99994871 8.12762816 1.44323436 0.11002050E-08 0.23000000E+04 0.99994731 7.93727392 1.44338125 0.88951732E-09 0.23500000E+04 0.99994587 7.74731268 1.44357408 0.72514690E-09 0.24000000E+04 0.99994439 7.55780549 1.44383364 0.59582614E-09 0.24500000E+04 0.99994288 7.36882466 1.44418281 0.49326925E-09 0.25000000E+04 0.99994132 7.18045610 1.44463751 0.41124360E-09 0.25500000E+04 0.99993972 6.99280216 1.44522802 0.34507873E-09 0.26000000E+04 0.99993808 6.80598474 1.44601088 0.29133115E-09 0.26500000E+04 0.99993640 6.62014880 1.44705226 0.24744061E-09 0.27000000E+04 0.99993467 6.43546597 1.44841944 0.21142475E-09 0.27500000E+04 0.99993285 6.25213807 1.45021321 0.18166367E-09 0.28000000E+04 0.99993088 6.07040028 1.45255470 0.15688452E-09 0.28500000E+04 0.99992856 5.89052366 1.45557643 0.13610477E-09 0.29000000E+04 0.99992549 5.71281662 1.45944898 0.11860207E-09 0.29500000E+04 0.99992089 5.53762512 1.46438047 0.10383246E-09 0.30000000E+04 0.99991328 5.36533132 1.47059865 0.91333135E-10 0.30500000E+04 0.99990006 5.19635057 1.47833547 0.80708382E-10 0.31000000E+04 0.99987685 5.03112663 1.48784389 0.71618635E-10 0.31500000E+04 0.99983673 4.87012508 1.49937288 0.63779347E-10 0.32000000E+04 0.99976917 4.71382525 1.51314128 0.56977503E-10 0.32500000E+04 0.99965886 4.56271055 1.52934331 0.51059490E-10 0.33000000E+04 0.99948454 4.41725786 1.54812726 0.45904852E-10 0.33500000E+04 0.99921778 4.27792615 1.56956581 0.41413364E-10 0.34000000E+04 0.99882206 4.14514496 1.59363681 0.37496565E-10 0.34500000E+04 0.99825229 4.01930339 1.62022941 0.34070294E-10 0.35000000E+04 0.99745481 3.90074065 1.64913379 0.31055689E-10 0.35500000E+04 0.99636810 3.78973855 1.68003244 0.28385133E-10 0.36000000E+04 0.99492433 3.68651683 1.71251670 0.26004845E-10 0.36500000E+04 0.99305167 3.59123170 1.74609261 0.23873517E-10 0.37000000E+04 0.99067729 3.50397831 1.78018669 0.21959979E-10 0.37500000E+04 0.98773071 3.42479652 1.81417368 0.20240758E-10 0.38000000E+04 0.98414761 3.35367886 1.84742879 0.18697029E-10 0.38500000E+04 0.97987368 3.29057973 1.87938144 0.17311764E-10 0.39000000E+04 0.97486794 3.23542428 1.90955638 0.16068592E-10 0.39500000E+04 0.96910546 3.18811573 1.93759390 0.14952279E-10 0.40000000E+04 0.96257947 3.14854069 1.96322014 0.13946730E-10 0.40500000E+04 0.95530249 3.11657341 1.98618332 0.13031451E-10 0.41000000E+04 0.94730636 3.09208062 2.00619745 0.12198922E-10 0.41500000E+04 0.93864105 3.07492767 2.02292537 0.11459506E-10 0.42000000E+04 0.92937283 3.06498550 2.03601205 0.10759191E-10 0.42500000E+04 0.91958162 3.06213757 2.04515603 0.10073486E-10 0.43000000E+04 0.90935787 3.06628519 2.05019304 0.95389476E-11 0.43500000E+04 0.89879903 3.07734949 2.05114433 0.90065409E-11 0.44000000E+04 0.88800625 3.09526901 2.04820333 0.84422369E-11 0.44500000E+04 0.87708146 3.11999338 2.04166932 0.79986064E-11 0.45000000E+04 0.86612473 3.15147479 2.03186045 0.75481817E-11 0.45500000E+04 0.85523219 3.18965911 2.01905182 0.73444602E-11 0.46000000E+04 0.84449424 3.23447809 2.00347442 0.67197301E-11 0.46500000E+04 0.83399419 3.28584362 1.98537201 0.66917877E-11 0.47000000E+04 0.82380681 3.34364458 1.96506631 0.71681337E-11 0.47500000E+04 0.81399704 3.40774517 1.94298101 0.65097446E-11 0.48000000E+04 0.80461943 3.47798365 1.91960775 0.99047553E-11 0.48500000E+04 0.79571823 3.55417089 1.89543592 0.13345728E-10 0.49000000E+04 0.78732756 3.63608993 1.87089215 0.22511089E-10 0.49500000E+04 0.77947126 3.72349741 1.84632240 0.42342806E-10 0.50000000E+04 0.77216295 3.81612657 1.82201066 0.66133207E-10 0.50500000E+04 0.76540681 3.91369047 1.79819923 0.11824304E-09 0.51000000E+04 0.75919895 4.01588578 1.77508411 0.17513816E-09 0.51500000E+04 0.75352822 4.12240031 1.75279399 0.28256313E-09 0.52000000E+04 0.74837584 4.23292572 1.73139170 0.39775958E-09 0.52500000E+04 0.74371513 4.34717187 1.71091746 0.56868981E-09 0.53000000E+04 0.73951260 4.46487537 1.69143428 0.71604510E-09 0.53500000E+04 0.73573104 4.58579843 1.67303450 0.85545189E-09 0.54000000E+04 0.73233316 4.70972005 1.65582482 0.91661798E-09 0.54500000E+04 0.72928428 4.83642562 1.63992245 0.93284466E-09 0.55000000E+04 0.72655323 4.96570075 1.62543519 0.10545680E-08 0.55500000E+04 0.72411140 5.09733252 1.61237598 0.15449957E-08 0.56000000E+04 0.72193121 5.23111747 1.60056770 0.29414296E-08 0.56500000E+04 0.71998517 5.36687133 1.58968480 0.59627556E-08 0.57000000E+04 0.71824631 5.50443458 1.57945188 0.11253538E-07 0.57500000E+04 0.71668951 5.64367121 1.56982171 0.19795022E-07 0.58000000E+04 0.71529259 5.78446240 1.56097384 0.31692437E-07 0.58500000E+04 0.71403642 5.92670001 1.55314508 0.46999454E-07 0.59000000E+04 0.71290406 6.07028413 1.54641752 0.64445183E-07 0.59500000E+04 0.71187954 6.21512567 1.54061381 0.81287320E-07 0.60000000E+04 0.71094718 6.36115071 1.53538609 0.94155067E-07 0.60500000E+04 0.71009174 6.50830143 1.53043026 0.98915733E-07 0.61000000E+04 0.70929935 6.65653129 1.52564868 0.94985511E-07 0.61500000E+04 0.70855851 6.80579608 1.52115738 0.89749983E-07 0.62000000E+04 0.70786060 6.95604447 1.51716995 0.10633075E-06 0.62500000E+04 0.70719958 7.10721242 1.51382140 0.18967634E-06 0.63000000E+04 0.70657079 7.25922471 1.51102148 0.40934859E-06 0.63500000E+04 0.70596941 7.41200340 1.50847740 0.85394809E-06 0.64000000E+04 0.70538911 7.56547922 1.50591118 0.16105563E-05 0.64500000E+04 0.70482153 7.71959939 1.50327208 0.27480592E-05 0.65000000E+04 0.70425675 7.87432746 1.50072804 0.43006981E-05 0.65500000E+04 0.70368441 8.02963487 1.49846563 0.62597571E-05 0.66000000E+04 0.70309495 8.18548731 1.49650598 0.86033661E-05 0.66500000E+04 0.70248054 8.34183011 1.49467254 0.11352158E-04 0.67000000E+04 0.70183547 8.49857687 1.49271444 0.14652188E-04 0.67500000E+04 0.70115589 8.65560471 1.49050197 0.18899078E-04 0.68000000E+04 0.70043895 8.81275799 1.48814267 0.24857324E-04 0.68500000E+04 0.69968142 8.96985923 1.48590414 0.33702616E-04 0.69000000E+04 0.69887837 9.12672359 1.48399798 0.46922131E-04 0.69500000E+04 0.69802213 9.28317211 1.48241376 0.66008845E-04 0.70000000E+04 0.69710184 9.43903973 1.48094623 0.91957967E-04 0.70500000E+04 0.69610362 9.59417725 1.47938705 0.12474205E-03 0.71000000E+04 0.69501115 9.74844931 1.47771042 0.16300253E-03 0.71500000E+04 0.69380632 9.90173092 1.47609092 0.20402259E-03 0.72000000E+04 0.69246970 10.05390416 1.47474752 0.24393258E-03 0.72500000E+04 0.69098087 10.20485496 1.47375368 0.27822667E-03 0.73000000E+04 0.68931838 10.35446994 1.47296352 0.30263541E-03 0.73500000E+04 0.68745943 10.50263341 1.47211456 0.31405993E-03 0.74000000E+04 0.68537946 10.64922469 1.47103988 0.31114879E-03 0.74500000E+04 0.68305177 10.79411594 1.46981007 0.29439088E-03 0.75000000E+04 0.68044753 10.93717098 1.46866350 0.26593928E-03 0.75500000E+04 0.67753626 11.07824600 1.46779049 0.22940567E-03 0.76000000E+04 0.67428667 11.21719303 1.46717145 0.18956669E-03 0.76500000E+04 0.67066762 11.35386489 1.46659028 0.15180621E-03 0.77000000E+04 0.66664893 11.48811986 1.46579951 0.12142213E-03 0.77500000E+04 0.66220185 11.61982439 1.46472559 0.10310173E-03 0.78000000E+04 0.65729899 11.74885354 1.46354974 0.10062163E-03 0.78500000E+04 0.65191372 11.87508899 1.46256531 0.11658369E-03 0.79000000E+04 0.64601947 11.99841471 1.46192979 0.15206350E-03 0.79500000E+04 0.63958905 12.11871198 1.46153999 0.20632368E-03 0.80000000E+04 0.63259468 12.23585672 1.46112082 0.27685205E-03 0.80500000E+04 0.62500870 12.34972187 1.46044014 0.35968317E-03 0.81000000E+04 0.61680508 12.46018563 1.45950111 0.44962219E-03 0.81500000E+04 0.60796167 12.56714351 1.45856382 0.54013156E-03 0.82000000E+04 0.59846278 12.67052109 1.45794364 0.62325562E-03 0.82500000E+04 0.58830169 12.77028414 1.45774655 0.69034647E-03 0.83000000E+04 0.57748242 12.86644383 1.45777987 0.73388393E-03 0.83500000E+04 0.56602044 12.95905580 1.45769982 0.74957059E-03 0.84000000E+04 0.55394157 13.04821217 1.45726812 0.73726693E-03 0.84500000E+04 0.54127955 13.13402703 1.45654438 0.70016811E-03 0.85000000E+04 0.52807252 13.21661736 1.45586609 0.64319866E-03 0.85500000E+04 0.51435989 13.29608444 1.45558907 0.57202729E-03 0.86000000E+04 0.50018041 13.37250133 1.45578931 0.49295243E-03 0.86500000E+04 0.48557231 13.44591061 1.45619031 0.41294922E-03 0.87000000E+04 0.47057509 13.51633248 1.45636528 0.33913452E-03 0.87500000E+04 0.45523211 13.58377963 1.45604973 0.27736950E-03 0.88000000E+04 0.43959283 13.64827389 1.45535327 0.23063325E-03 0.88500000E+04 0.42371405 13.70985939 1.45470308 0.19854841E-03 0.89000000E+04 0.40765956 13.76860988 1.45451838 0.17877104E-03 0.89500000E+04 0.39149855 13.82462902 1.45487636 0.16939168E-03 0.90000000E+04 0.37530288 13.87804464 1.45546164 0.17098472E-03 0.90500000E+04 0.35914383 13.92899829 1.45581419 0.18757816E-03 0.91000000E+04 0.34308881 13.97763270 1.45566724 0.22639264E-03 0.91500000E+04 0.32719855 14.02407996 1.45514680 0.29651878E-03 0.92000000E+04 0.31152569 14.06845373 1.45466526 0.40725234E-03 0.92500000E+04 0.29611498 14.11084848 1.45454949 0.56698272E-03 0.93000000E+04 0.28100545 14.15134780 1.45474928 0.78253675E-03 0.93500000E+04 0.26623355 14.19004144 1.45492858 0.10581993E-02 0.94000000E+04 0.25183618 14.22704722 1.45482197 0.13945223E-02 0.94500000E+04 0.23785205 14.26253055 1.45450570 0.17874934E-02 0.95000000E+04 0.22432079 14.29671377 1.45435756 0.22279987E-02 0.95500000E+04 0.21128009 14.32987016 1.45469780 0.27016400E-02 0.96000000E+04 0.19876197 14.36230297 1.45538074 0.31891081E-02 0.96500000E+04 0.18678936 14.39431501 1.45580171 0.36668705E-02 0.97000000E+04 0.17537409 14.42617606 1.45543737 0.41082295E-02 0.97500000E+04 0.16451636 14.45809528 1.45439203 0.44857949E-02 0.98000000E+04 0.15420585 14.49020367 1.45339234 0.47756980E-02 0.98500000E+04 0.14442400 14.52255049 1.45324274 0.49616642E-02 0.99000000E+04 0.13514709 14.55511551 1.45415785 0.50370703E-02 0.99500000E+04 0.12634975 14.58783633 1.45547954 0.50047776E-02 0.10000000E+05 0.11800833 14.62064661 1.45614458 0.48750201E-02 0.10050000E+05 0.11010360 14.65351808 1.45562746 0.46621311E-02 0.10100000E+05 0.10262228 14.68649776 1.45443667 0.43822047E-02 0.10150000E+05 0.09555716 14.71973120 1.45363584 0.40528810E-02 0.10200000E+05 0.08890559 14.75346356 1.45388043 0.36936698E-02 0.10250000E+05 0.08266688 14.78801291 1.45483817 0.33249652E-02 0.10300000E+05 0.07683907 14.82371614 1.45548646 0.29660119E-02 0.10350000E+05 0.07141590 14.86085417 1.45512940 0.26328875E-02 0.10400000E+05 0.06638477 14.89957001 1.45421109 0.23370083E-02 0.10450000E+05 0.06172613 14.93979748 1.45393061 0.20845186E-02 0.10500000E+05 0.05741445 14.98121763 1.45492746 0.18767013E-02 0.10550000E+05 0.05342026 15.02325173 1.45645069 0.17111000E-02 0.10600000E+05 0.04971261 15.06508872 1.45692627 0.15832113E-02 0.10650000E+05 0.04626120 15.10573893 1.45546830 0.14886673E-02 0.10700000E+05 0.04303809 15.14410761 1.45301111 0.14252059E-02 0.10750000E+05 0.04001889 15.17908864 1.45181998 0.13931558E-02 0.10800000E+05 0.03718364 15.20968235 1.45345340 0.13936103E-02 0.10850000E+05 0.03451735 15.23513294 1.45706815 0.14252307E-02 0.10900000E+05 0.03200995 15.25506284 1.45991000 0.14819469E-02 0.10950000E+05 0.02965546 15.26956577 1.45959954 0.15534170E-02 0.11000000E+05 0.02745075 15.27922199 1.45623322 0.16283890E-02 0.11050000E+05 0.02539399 15.28502218 1.45264357 0.16989830E-02 0.11100000E+05 0.02348370 15.28822062 1.45231877 0.17632722E-02 0.11150000E+05 0.02171822 15.29016421 1.45626400 0.18248171E-02 0.11200000E+05 0.02009559 15.29214933 1.46167743 0.18893967E-02 0.11250000E+05 0.01861322 15.29534166 1.46413940 0.19606334E-02 0.11300000E+05 0.01726738 15.30076697 1.46146543 0.20368008E-02 0.11350000E+05 0.01605246 15.30935212 1.45575321 0.21104948E-02 0.11400000E+05 0.01496048 15.32197479 1.45201056 0.21717874E-02 0.11450000E+05 0.01398126 15.33947744 1.45421801 0.22132970E-02 0.11500000E+05 0.01310313 15.36262661 1.46152467 0.22339565E-02 0.11550000E+05 0.01231419 15.39204186 1.46818263 0.22392923E-02 0.11600000E+05 0.01160353 15.42814407 1.46821968 0.22385180E-02 0.11650000E+05 0.01096213 15.47115495 1.46086772 0.22402772E-02 0.11700000E+05 0.01038308 15.52113134 1.45160790 0.22486127E-02 0.11750000E+05 0.00986115 15.57798289 1.44797643 0.22605951E-02 0.11800000E+05 0.00939197 15.64143096 1.45354012 0.22673501E-02 0.11850000E+05 0.00897110 15.71091456 1.46450733 0.22587480E-02 0.11900000E+05 0.00859333 15.78549830 1.47205869 0.22291528E-02 0.11950000E+05 0.00825245 15.86385266 1.46941339 0.21803783E-02 0.12000000E+05 0.00794160 15.94435302 1.45786200 0.21199790E-02 0.12050000E+05 0.00765395 16.02529657 1.44612873 0.20566322E-02 0.12100000E+05 0.00738359 16.10518823 1.44343154 0.19961837E-02 0.12150000E+05 0.00712635 16.18301714 1.45201786 0.19403596E-02 0.12200000E+05 0.00688009 16.25843811 1.46510595 0.18875346E-02 0.12250000E+05 0.00664452 16.33178553 1.47205000 0.18343395E-02 0.12300000E+05 0.00642049 16.40388496 1.46695896 0.17776639E-02 0.12350000E+05 0.00620898 16.47569232 1.45371579 0.17165140E-02 0.12400000E+05 0.00601011 16.54786740 1.44285323 0.16522765E-02 0.12450000E+05 0.00582261 16.62043663 1.44283057 0.15867804E-02 0.12500000E+05 0.00564380 16.69268100 1.45317216 0.15202139E-02 0.12550000E+05 0.00547010 16.76329637 1.46506816 0.14514542E-02 0.12600000E+05 0.00529799 16.83076188 1.46871783 0.13802143E-02 0.12650000E+05 0.00512481 16.89378133 1.46130874 0.13083234E-02 0.12700000E+05 0.00494947 16.95165507 1.44916013 0.12389285E-02 0.12750000E+05 0.00477255 17.00447322 1.44227137 0.11747310E-02 0.12800000E+05 0.00459585 17.05306609 1.44585609 0.11168250E-02 0.12850000E+05 0.00442165 17.09871230 1.45616826 0.10643551E-02 0.12900000E+05 0.00425178 17.14269577 1.46408306 0.10146384E-02 0.12950000E+05 0.00408715 17.18588658 1.46299408 0.96419159E-03 0.13000000E+05 0.00392764 17.22852787 1.45418597 0.91061221E-03 0.13050000E+05 0.00377250 17.27030719 1.44545523 0.85401573E-03 0.13100000E+05 0.00362079 17.31063107 1.44422995 0.79695088E-03 0.13150000E+05 0.00347175 17.34892206 1.45100668 0.74295389E-03 0.13200000E+05 0.00332491 17.38478845 1.45914216 0.69483197E-03 0.13250000E+05 0.00318005 17.41803760 1.46118067 0.65356082E-03 0.13300000E+05 0.00303719 17.44861079 1.45549505 0.61791091E-03 0.13350000E+05 0.00289659 17.47654094 1.44738863 0.58494629E-03 0.13400000E+05 0.00275880 17.50198080 1.44435106 0.55153892E-03 0.13450000E+05 0.00262466 17.52526856 1.44931665 0.51609991E-03 0.13500000E+05 0.00249508 17.54694950 1.45746628 0.47924284E-03 0.13550000E+05 0.00237083 17.56768774 1.46058218 0.44304562E-03 0.13600000E+05 0.00225221 17.58807098 1.45554422 0.40972052E-03 0.13650000E+05 0.00213900 17.60838823 1.44761905 0.38066611E-03 0.13700000E+05 0.00203051 17.62849552 1.44481938 0.35610400E-03 0.13750000E+05 0.00192592 17.64785218 1.44998804 0.33495629E-03 0.13800000E+05 0.00182453 17.66572510 1.45825849 0.31512332E-03 0.13850000E+05 0.00172604 17.68147605 1.46141465 0.29456363E-03 0.13900000E+05 0.00163059 17.69482090 1.45592848 0.27265197E-03 0.13950000E+05 0.00153868 17.70597382 1.44741768 0.25059538E-03 0.14000000E+05 0.00145093 17.71562465 1.44516595 0.23041629E-03 0.14050000E+05 0.00136787 17.72473537 1.45168832 0.21336161E-03 0.14100000E+05 0.00128968 17.73420027 1.46013519 0.19912125E-03 0.14150000E+05 0.00121615 17.74448258 1.46214569 0.18637656E-03 0.14200000E+05 0.00114668 17.75538288 1.45595479 0.17392165E-03 0.14250000E+05 0.00108051 17.76607278 1.44753131 0.16134227E-03 0.14300000E+05 0.00101703 17.77542566 1.44537089 0.14893801E-03 0.14350000E+05 0.00095594 17.78252595 1.45213732 0.13724552E-03 0.14400000E+05 0.00089739 17.78712684 1.46068474 0.12663305E-03 0.14450000E+05 0.00084180 17.78981787 1.46160266 0.11717425E-03 0.14500000E+05 0.00078959 17.79177179 1.45448886 0.10873129E-03 0.14550000E+05 0.00074089 17.79415092 1.44756678 0.10106540E-03 0.14600000E+05 0.00069550 17.79748591 1.44739179 0.93891172E-04 0.14650000E+05 0.00065291 17.80140831 1.45329739 0.86956866E-04 0.14700000E+05 0.00061261 17.80490005 1.45967568 0.80199976E-04 0.14750000E+05 0.00057425 17.80688166 1.46038031 0.73808055E-04 0.14800000E+05 0.00053774 17.80677727 1.45435718 0.68033841E-04 0.14850000E+05 0.00050318 17.80476269 1.44830817 0.62956290E-04 0.14900000E+05 0.00047073 17.80161359 1.44927132 0.58452621E-04 0.14950000E+05 0.00044044 17.79828119 1.45546800 0.54328779E-04 0.15000000E+05 0.00041224 17.79543234 1.45983315 0.50412074E-04 0.15050000E+05 0.00038590 17.79316267 1.45943907 0.46578988E-04 0.15100000E+05 0.00036118 17.79099110 1.45597061 0.42809854E-04 0.15150000E+05 0.00033785 17.78813233 1.45220522 0.39245420E-04 0.15200000E+05 0.00031579 17.78392813 1.45209751 0.36119163E-04 0.15250000E+05 0.00029499 17.77822746 1.45730664 0.33547359E-04 0.15300000E+05 0.00027548 17.77150452 1.46220718 0.31371373E-04 0.15350000E+05 0.00025731 17.76461668 1.46081037 0.29254014E-04 0.15400000E+05 0.00024040 17.75829594 1.45664805 0.26967196E-04 0.15450000E+05 0.00022465 17.75266667 1.45619510 0.24584094E-04 0.15500000E+05 0.00020988 17.74713322 1.45852756 0.22385589E-04 0.15550000E+05 0.00019598 17.74075844 1.46044300 0.20594419E-04 0.15600000E+05 0.00018288 17.73290163 1.46215511 0.19198993E-04 0.15650000E+05 0.00017061 17.72368752 1.46228081 0.17994584E-04 0.15700000E+05 0.00015918 17.71397003 1.45945316 0.16761030E-04 0.15750000E+05 0.00014861 17.70476360 1.45883090 0.15414895E-04 0.15800000E+05 0.00013880 17.69648928 1.46302355 0.14036761E-04 0.15850000E+05 0.00012965 17.68857855 1.46456958 0.12780403E-04 0.15900000E+05 0.00012105 17.67976938 1.46074652 0.11749555E-04 0.15950000E+05 0.00011294 17.66893541 1.45988128 0.10935955E-04 0.16000000E+05 0.00010532 17.65588976 1.46382816 0.10245869E-04 ************************************************************************ info from reading or writing asymptotic info ************************************************************************ # timesteps for which bk coefs available is: 320 # data used, ndused = 320 effective prop.time, spectral resolution (mev) = 16000.0000 0.5342946E+01 meaningful results in kin energy range (ev) 0.005343 1.709743 results will be obtained for nen95 energies,nen95 = 150 ************************************************************************ info from gtaife ************************************************************************ ************************************************************************ info from probaf ************************************************************************ # of data skipped in between data in next printout = 0 idat ekin(ev) preact phase 1 0.4007209 0.002197 -1.80153 2 0.4060639 0.000361 -1.73088 3 0.4114068 -0.001129 -1.66868 4 0.4167498 -0.000821 -1.61348 5 0.4220927 0.000388 -1.57366 6 0.4274357 0.001301 -1.55340 7 0.4327786 0.001434 -1.54512 8 0.4381216 0.000696 -1.54186 9 0.4434645 -0.000195 -1.53968 10 0.4488075 -0.000308 -1.53442 11 0.4541504 0.000181 -1.52823 12 0.4594933 0.000679 -1.52851 13 0.4648363 0.001042 -1.53494 14 0.4701792 0.000935 -1.53899 15 0.4755222 0.000177 -1.53603 16 0.4808651 -0.000323 -1.52741 17 0.4862081 0.000202 -1.51499 18 0.4915510 0.000945 -1.50162 19 0.4968940 0.000925 -1.48915 20 0.5022369 0.000465 -1.47123 21 0.5075799 0.000288 -1.43863 22 0.5129228 0.000476 -1.39268 23 0.5182658 0.000822 -1.34182 24 0.5236087 0.001096 -1.28639 25 0.5289516 0.001100 -1.21820 26 0.5342946 0.001032 -1.13100 27 0.5396375 0.001257 -1.02150 28 0.5449805 0.001622 -0.88915 29 0.5503234 0.001893 -0.74366 30 0.5556664 0.002485 -0.59609 31 0.5610093 0.003624 -0.44054 32 0.5663523 0.004682 -0.26964 33 0.5716952 0.005627 -0.09558 34 0.5770382 0.008051 0.06555 35 0.5823811 0.013113 0.20711 36 0.5877240 0.019415 0.32658 37 0.5930670 0.024389 0.42909 38 0.5984099 0.027194 0.52780 39 0.6037529 0.029171 0.62840 40 0.6090958 0.031888 0.72509 41 0.6144388 0.035855 0.81793 42 0.6197817 0.041258 0.92011 43 0.6251247 0.049165 1.03945 44 0.6304676 0.061124 1.16398 45 0.6358106 0.077053 1.27088 46 0.6411535 0.093847 1.34072 47 0.6464965 0.107306 1.36994 48 0.6518394 0.115732 1.38397 49 0.6571823 0.121147 1.41984 50 0.6625253 0.126952 1.48806 51 0.6678682 0.134517 1.56518 52 0.6732112 0.142480 1.61500 53 0.6785541 0.149202 1.63250 54 0.6838971 0.155074 1.67429 55 0.6892400 0.161829 1.83693 56 0.6945830 0.170136 3.11120 57 0.6999259 0.178970 -1.35342 58 0.7052689 0.187278 -1.07880 59 0.7106118 0.195408 -0.87447 60 0.7159548 0.204563 -0.68522 61 0.7212977 0.215495 -0.50387 62 0.7266406 0.228123 -0.33358 63 0.7319836 0.241732 -0.17479 64 0.7373265 0.255265 -0.03387 65 0.7426695 0.267907 0.06853 66 0.7480124 0.279508 0.12534 67 0.7533554 0.290223 0.17603 68 0.7586983 0.300111 0.26252 69 0.7640413 0.309273 0.37708 70 0.7693842 0.318086 0.49474 71 0.7747272 0.327078 0.63376 72 0.7800701 0.336675 0.83466 73 0.7854130 0.346976 1.08867 74 0.7907560 0.357604 1.33730 75 0.7960989 0.367926 1.53804 76 0.8014419 0.377633 1.70599 77 0.8067848 0.387014 1.87589 78 0.8121278 0.396440 2.04698 79 0.8174707 0.405919 2.20403 80 0.8228137 0.415252 2.35266 81 0.8281566 0.424224 2.50428 82 0.8334996 0.432585 2.64754 83 0.8388425 0.440311 2.75867 84 0.8441855 0.447919 2.83624 85 0.8495284 0.456056 2.90826 86 0.8548713 0.464727 2.98681 87 0.8602143 0.473279 3.04403 88 0.8655572 0.481142 3.05781 89 0.8709002 0.488326 3.05657 90 0.8762431 0.495280 3.07579 91 0.8815861 0.502446 3.10080 92 0.8869290 0.510003 3.11252 93 0.8922720 0.518004 3.13353 94 0.8976149 0.526513 -3.09989 95 0.9029579 0.535273 -3.04435 96 0.9083008 0.543525 -3.00991 97 0.9136437 0.550714 -2.98911 98 0.9189867 0.557180 -2.96866 99 0.9243296 0.563645 -2.95809 100 0.9296726 0.570315 -2.95580 101 0.9350155 0.576986 -2.93824 102 0.9403585 0.583603 -2.90892 103 0.9457014 0.590224 -2.89315 104 0.9510444 0.596836 -2.88527 105 0.9563873 0.603514 -2.86111 106 0.9617303 0.610383 -2.83522 107 0.9670732 0.617416 -2.82977 108 0.9724162 0.624544 -2.81899 109 0.9777591 0.631731 -2.77799 110 0.9831020 0.638766 -2.73483 111 0.9884450 0.645413 -2.70988 112 0.9937879 0.651810 -2.67214 113 0.9991309 0.658288 -2.60669 114 1.0044738 0.664920 -2.54230 115 1.0098168 0.671669 -2.48592 116 1.0151597 0.678634 -2.41027 117 1.0205027 0.685829 -2.32350 118 1.0258456 0.693051 -2.26007 119 1.0311886 0.700152 -2.20277 120 1.0365315 0.707124 -2.10684 121 1.0418744 0.713934 -1.99648 122 1.0472174 0.720503 -1.91832 123 1.0525603 0.726791 -1.84746 124 1.0579033 0.732843 -1.74238 125 1.0632462 0.738776 -1.65156 126 1.0685892 0.744648 -1.61878 127 1.0739321 0.750398 -1.56061 128 1.0792751 0.756033 -1.43301 129 1.0846180 0.761637 -1.31793 130 1.0899610 0.767137 -1.23678 131 1.0953039 0.772373 -1.08755 132 1.1006469 0.777318 -0.87878 133 1.1059898 0.781930 -0.70782 134 1.1113327 0.786076 -0.54838 135 1.1166757 0.789823 -0.28174 136 1.1220186 0.793439 0.01954 137 1.1273616 0.797077 0.21955 138 1.1327045 0.800825 0.39146 139 1.1380475 0.804723 0.69770 140 1.1433904 0.808482 1.01434 141 1.1487334 0.811750 1.20231 142 1.1540763 0.814639 1.35552 143 1.1594193 0.817461 1.62365 144 1.1647622 0.820231 1.89066 145 1.1701052 0.822908 2.01909 146 1.1754481 0.825629 2.12212 147 1.1807910 0.828455 2.34056 148 1.1861340 0.831295 2.54313 149 1.1914769 0.834080 2.61075 150 1.1968199 0.836753 2.71409 ******************************************************************************** PRINTING SCATTERING AND REACTION PROBABILITIES ******************************************************************************** etrans(icomin)= 0.400721 etrans(icomax)= 1.196820 etrans= 0.400000 $$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$ total energy = -0.39627439D+01 trans energy = 0.51428571D+00 trans energy in z = 0.51428571D+00 total momentum = 0.11784854D+02 $$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$ ************************************ rotation-diffraction summed probabilities ************************************ v probability av edif av erot 0 0.9994357E+00 0.5700608E-01 0.2314568E-01 1 0.3590665E-09 0.0000000E+00 0.0000000E+00 2 0.0000000E+00 0.0000000E+00 0.0000000E+00 ************************************ diffraction summed probabilities ************************************ v irot j m probability 0 43 0 0 0.5521066E+00 0 31 2 -2 0.1752878E+00 0 37 2 -1 0.1816980E-01 0 44 2 0 0.2787478E-01 0 50 2 1 0.1816980E-01 0 56 2 2 0.1752878E+00 0 21 4 -4 0.3849793E-02 0 26 4 -3 0.8782218E-03 0 32 4 -2 0.2644531E-02 0 38 4 -1 0.4069071E-02 0 45 4 0 0.9638987E-02 0 51 4 1 0.4069071E-02 0 57 4 2 0.2644531E-02 0 62 4 3 0.8782218E-03 0 67 4 4 0.3849793E-02 0 13 6 -6 0.1539318E-06 0 17 6 -5 0.5332743E-07 0 22 6 -4 0.1098463E-06 0 27 6 -3 0.4823664E-06 0 33 6 -2 0.1875418E-05 0 39 6 -1 0.3423450E-05 0 46 6 0 0.4770613E-05 0 52 6 1 0.3423450E-05 0 58 6 2 0.1875418E-05 0 63 6 3 0.4823664E-06 0 68 6 4 0.1098463E-06 0 72 6 5 0.5332743E-07 0 76 6 6 0.1539318E-06 0 7 8 -8 0.6139057E-14 0 10 8 -7 0.3659483E-15 0 14 8 -6 0.2067088E-13 0 18 8 -5 0.7219117E-14 0 23 8 -4 0.1762303E-14 0 28 8 -3 0.2550848E-14 0 34 8 -2 0.1379152E-13 0 40 8 -1 0.1595870E-13 0 47 8 0 0.7306909E-13 0 53 8 1 0.1595870E-13 0 59 8 2 0.1379152E-13 0 64 8 3 0.2550848E-14 0 69 8 4 0.1762303E-14 0 73 8 5 0.7219117E-14 0 77 8 6 0.2067088E-13 0 80 8 7 0.3659483E-15 0 83 8 8 0.6139057E-14 0 3 10 -10 0.0000000E+00 0 5 10 -9 0.0000000E+00 0 8 10 -8 0.0000000E+00 0 11 10 -7 0.0000000E+00 0 15 10 -6 0.0000000E+00 0 19 10 -5 0.0000000E+00 0 24 10 -4 0.0000000E+00 0 29 10 -3 0.0000000E+00 0 35 10 -2 0.0000000E+00 0 41 10 -1 0.0000000E+00 0 48 10 0 0.0000000E+00 0 54 10 1 0.0000000E+00 0 60 10 2 0.0000000E+00 0 65 10 3 0.0000000E+00 0 70 10 4 0.0000000E+00 0 74 10 5 0.0000000E+00 0 78 10 6 0.0000000E+00 0 81 10 7 0.0000000E+00 0 84 10 8 0.0000000E+00 0 86 10 9 0.0000000E+00 0 88 10 10 0.0000000E+00 0 1 12 -12 0.0000000E+00 0 2 12 -11 0.0000000E+00 0 4 12 -10 0.0000000E+00 0 6 12 -9 0.0000000E+00 0 9 12 -8 0.0000000E+00 0 12 12 -7 0.0000000E+00 0 16 12 -6 0.0000000E+00 0 20 12 -5 0.0000000E+00 0 25 12 -4 0.0000000E+00 0 30 12 -3 0.0000000E+00 0 36 12 -2 0.0000000E+00 0 42 12 -1 0.0000000E+00 0 49 12 0 0.0000000E+00 0 55 12 1 0.0000000E+00 0 61 12 2 0.0000000E+00 0 66 12 3 0.0000000E+00 0 71 12 4 0.0000000E+00 0 75 12 5 0.0000000E+00 0 79 12 6 0.0000000E+00 0 82 12 7 0.0000000E+00 0 85 12 8 0.0000000E+00 0 87 12 9 0.0000000E+00 0 89 12 10 0.0000000E+00 0 90 12 11 0.0000000E+00 0 91 12 12 0.0000000E+00 1 43 0 0 0.3590665E-09 1 31 2 -2 0.0000000E+00 1 37 2 -1 0.0000000E+00 1 44 2 0 0.0000000E+00 1 50 2 1 0.0000000E+00 1 56 2 2 0.0000000E+00 1 21 4 -4 0.0000000E+00 1 26 4 -3 0.0000000E+00 1 32 4 -2 0.0000000E+00 1 38 4 -1 0.0000000E+00 1 45 4 0 0.0000000E+00 1 51 4 1 0.0000000E+00 1 57 4 2 0.0000000E+00 1 62 4 3 0.0000000E+00 1 67 4 4 0.0000000E+00 1 13 6 -6 0.0000000E+00 1 17 6 -5 0.0000000E+00 1 22 6 -4 0.0000000E+00 1 27 6 -3 0.0000000E+00 1 33 6 -2 0.0000000E+00 1 39 6 -1 0.0000000E+00 1 46 6 0 0.0000000E+00 1 52 6 1 0.0000000E+00 1 58 6 2 0.0000000E+00 1 63 6 3 0.0000000E+00 1 68 6 4 0.0000000E+00 1 72 6 5 0.0000000E+00 1 76 6 6 0.0000000E+00 1 7 8 -8 0.0000000E+00 1 10 8 -7 0.0000000E+00 1 14 8 -6 0.0000000E+00 1 18 8 -5 0.0000000E+00 1 23 8 -4 0.0000000E+00 1 28 8 -3 0.0000000E+00 1 34 8 -2 0.0000000E+00 1 40 8 -1 0.0000000E+00 1 47 8 0 0.0000000E+00 1 53 8 1 0.0000000E+00 1 59 8 2 0.0000000E+00 1 64 8 3 0.0000000E+00 1 69 8 4 0.0000000E+00 1 73 8 5 0.0000000E+00 1 77 8 6 0.0000000E+00 1 80 8 7 0.0000000E+00 1 83 8 8 0.0000000E+00 1 3 10 -10 0.0000000E+00 1 5 10 -9 0.0000000E+00 1 8 10 -8 0.0000000E+00 1 11 10 -7 0.0000000E+00 1 15 10 -6 0.0000000E+00 1 19 10 -5 0.0000000E+00 1 24 10 -4 0.0000000E+00 1 29 10 -3 0.0000000E+00 1 35 10 -2 0.0000000E+00 1 41 10 -1 0.0000000E+00 1 48 10 0 0.0000000E+00 1 54 10 1 0.0000000E+00 1 60 10 2 0.0000000E+00 1 65 10 3 0.0000000E+00 1 70 10 4 0.0000000E+00 1 74 10 5 0.0000000E+00 1 78 10 6 0.0000000E+00 1 81 10 7 0.0000000E+00 1 84 10 8 0.0000000E+00 1 86 10 9 0.0000000E+00 1 88 10 10 0.0000000E+00 1 1 12 -12 0.0000000E+00 1 2 12 -11 0.0000000E+00 1 4 12 -10 0.0000000E+00 1 6 12 -9 0.0000000E+00 1 9 12 -8 0.0000000E+00 1 12 12 -7 0.0000000E+00 1 16 12 -6 0.0000000E+00 1 20 12 -5 0.0000000E+00 1 25 12 -4 0.0000000E+00 1 30 12 -3 0.0000000E+00 1 36 12 -2 0.0000000E+00 1 42 12 -1 0.0000000E+00 1 49 12 0 0.0000000E+00 1 55 12 1 0.0000000E+00 1 61 12 2 0.0000000E+00 1 66 12 3 0.0000000E+00 1 71 12 4 0.0000000E+00 1 75 12 5 0.0000000E+00 1 79 12 6 0.0000000E+00 1 82 12 7 0.0000000E+00 1 85 12 8 0.0000000E+00 1 87 12 9 0.0000000E+00 1 89 12 10 0.0000000E+00 1 90 12 11 0.0000000E+00 1 91 12 12 0.0000000E+00 2 43 0 0 0.0000000E+00 2 31 2 -2 0.0000000E+00 2 37 2 -1 0.0000000E+00 2 44 2 0 0.0000000E+00 2 50 2 1 0.0000000E+00 2 56 2 2 0.0000000E+00 2 21 4 -4 0.0000000E+00 2 26 4 -3 0.0000000E+00 2 32 4 -2 0.0000000E+00 2 38 4 -1 0.0000000E+00 2 45 4 0 0.0000000E+00 2 51 4 1 0.0000000E+00 2 57 4 2 0.0000000E+00 2 62 4 3 0.0000000E+00 2 67 4 4 0.0000000E+00 2 13 6 -6 0.0000000E+00 2 17 6 -5 0.0000000E+00 2 22 6 -4 0.0000000E+00 2 27 6 -3 0.0000000E+00 2 33 6 -2 0.0000000E+00 2 39 6 -1 0.0000000E+00 2 46 6 0 0.0000000E+00 2 52 6 1 0.0000000E+00 2 58 6 2 0.0000000E+00 2 63 6 3 0.0000000E+00 2 68 6 4 0.0000000E+00 2 72 6 5 0.0000000E+00 2 76 6 6 0.0000000E+00 2 7 8 -8 0.0000000E+00 2 10 8 -7 0.0000000E+00 2 14 8 -6 0.0000000E+00 2 18 8 -5 0.0000000E+00 2 23 8 -4 0.0000000E+00 2 28 8 -3 0.0000000E+00 2 34 8 -2 0.0000000E+00 2 40 8 -1 0.0000000E+00 2 47 8 0 0.0000000E+00 2 53 8 1 0.0000000E+00 2 59 8 2 0.0000000E+00 2 64 8 3 0.0000000E+00 2 69 8 4 0.0000000E+00 2 73 8 5 0.0000000E+00 2 77 8 6 0.0000000E+00 2 80 8 7 0.0000000E+00 2 83 8 8 0.0000000E+00 2 3 10 -10 0.0000000E+00 2 5 10 -9 0.0000000E+00 2 8 10 -8 0.0000000E+00 2 11 10 -7 0.0000000E+00 2 15 10 -6 0.0000000E+00 2 19 10 -5 0.0000000E+00 2 24 10 -4 0.0000000E+00 2 29 10 -3 0.0000000E+00 2 35 10 -2 0.0000000E+00 2 41 10 -1 0.0000000E+00 2 48 10 0 0.0000000E+00 2 54 10 1 0.0000000E+00 2 60 10 2 0.0000000E+00 2 65 10 3 0.0000000E+00 2 70 10 4 0.0000000E+00 2 74 10 5 0.0000000E+00 2 78 10 6 0.0000000E+00 2 81 10 7 0.0000000E+00 2 84 10 8 0.0000000E+00 2 86 10 9 0.0000000E+00 2 88 10 10 0.0000000E+00 2 1 12 -12 0.0000000E+00 2 2 12 -11 0.0000000E+00 2 4 12 -10 0.0000000E+00 2 6 12 -9 0.0000000E+00 2 9 12 -8 0.0000000E+00 2 12 12 -7 0.0000000E+00 2 16 12 -6 0.0000000E+00 2 20 12 -5 0.0000000E+00 2 25 12 -4 0.0000000E+00 2 30 12 -3 0.0000000E+00 2 36 12 -2 0.0000000E+00 2 42 12 -1 0.0000000E+00 2 49 12 0 0.0000000E+00 2 55 12 1 0.0000000E+00 2 61 12 2 0.0000000E+00 2 66 12 3 0.0000000E+00 2 71 12 4 0.0000000E+00 2 75 12 5 0.0000000E+00 2 79 12 6 0.0000000E+00 2 82 12 7 0.0000000E+00 2 85 12 8 0.0000000E+00 2 87 12 9 0.0000000E+00 2 89 12 10 0.0000000E+00 2 90 12 11 0.0000000E+00 2 91 12 12 0.0000000E+00 ************************************ probabilities as function of diffraction order ************************************ v, j, mj = 0 0 0 0 0.4094280E-01 1 0.6830291E-01 2 0.6944303E-01 3 0.2229457E+00 4 0.1340561E+00 5 0.1608055E-01 6 0.3348396E-03 7 0.6330781E-06 8 0.2003394E-10 9 0.1257968E-13 v, j, mj = 0 2 -2 0 0.1797484E-30 1 0.2849095E-01 2 0.3604769E-01 3 0.7575727E-01 4 0.3284215E-01 5 0.2138503E-02 6 0.1119797E-04 7 0.9924248E-08 8 0.3237561E-11 9 0.0000000E+00 v, j, mj = 0 2 -1 0 0.5303889E-32 1 0.1847288E-03 2 0.4346339E-02 3 0.7335806E-02 4 0.5143914E-02 5 0.1128926E-02 6 0.3004904E-04 7 0.4190850E-07 8 0.7590030E-12 9 0.0000000E+00 v, j, mj = 0 2 0 0 0.1237180E-02 1 0.3764296E-02 2 0.6852408E-02 3 0.1087087E-01 4 0.4748064E-02 5 0.3957100E-03 6 0.6246298E-05 7 0.1230325E-07 8 0.1468550E-12 9 0.0000000E+00 v, j, mj = 0 2 1 0 0.4987549E-33 1 0.1847288E-03 2 0.4346339E-02 3 0.7335806E-02 4 0.5143914E-02 5 0.1128926E-02 6 0.3004904E-04 7 0.4190850E-07 8 0.7590030E-12 9 0.0000000E+00 v, j, mj = 0 2 2 0 0.2722548E-30 1 0.2849095E-01 2 0.3604769E-01 3 0.7575727E-01 4 0.3284215E-01 5 0.2138503E-02 6 0.1119797E-04 7 0.9924248E-08 8 0.3237561E-11 9 0.0000000E+00 v, j, mj = 0 4 -4 0 0.1433273E-32 1 0.1394381E-02 2 0.1452235E-02 3 0.9082216E-03 4 0.9415906E-04 5 0.7949323E-06 6 0.2151706E-08 7 0.3000832E-11 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 4 -3 0 0.2121830E-33 1 0.3436165E-04 2 0.1942496E-03 3 0.3878723E-03 4 0.2454439E-03 5 0.1625152E-04 6 0.4282793E-07 7 0.1945745E-11 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 4 -2 0 0.8759990E-32 1 0.2001329E-03 2 0.5039913E-03 3 0.1395638E-02 4 0.5194678E-03 5 0.2524473E-04 6 0.5639460E-07 7 0.8739687E-12 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 4 -1 0 0.4862283E-33 1 0.7646255E-06 2 0.9124320E-03 3 0.2225263E-02 4 0.8890343E-03 5 0.4148010E-04 6 0.9739190E-07 7 0.1805264E-11 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 4 0 0 0.1100473E-02 1 0.1018900E-03 2 0.3221506E-02 3 0.4088974E-02 4 0.1085549E-02 5 0.4051755E-04 6 0.7839351E-07 7 0.2947344E-11 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 4 1 0 0.1470955E-32 1 0.7646255E-06 2 0.9124320E-03 3 0.2225263E-02 4 0.8890343E-03 5 0.4148010E-04 6 0.9739190E-07 7 0.1805264E-11 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 4 2 0 0.4033883E-32 1 0.2001329E-03 2 0.5039913E-03 3 0.1395638E-02 4 0.5194678E-03 5 0.2524473E-04 6 0.5639460E-07 7 0.8739687E-12 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 4 3 0 0.4247535E-33 1 0.3436165E-04 2 0.1942496E-03 3 0.3878723E-03 4 0.2454439E-03 5 0.1625152E-04 6 0.4282793E-07 7 0.1945745E-11 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 4 4 0 0.3634068E-32 1 0.1394381E-02 2 0.1452235E-02 3 0.9082216E-03 4 0.9415906E-04 5 0.7949323E-06 6 0.2151706E-08 7 0.3000832E-11 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 -6 0 0.8255865E-07 1 0.4714502E-07 2 0.2270964E-07 3 0.1495832E-08 4 0.1856830E-10 5 0.4075648E-11 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 -5 0 0.7746875E-34 1 0.2692731E-07 2 0.2356550E-07 3 0.2798116E-08 4 0.3515344E-10 5 0.1353571E-11 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 -4 0 0.1092459E-33 1 0.3123328E-07 2 0.5654235E-07 3 0.2153545E-07 4 0.5257596E-09 5 0.9439293E-11 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 -3 0 0.5079171E-34 1 0.4628857E-07 2 0.3218839E-06 3 0.1119151E-06 4 0.2274213E-08 5 0.4696703E-11 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 -2 0 0.1227736E-33 1 0.4966364E-06 2 0.1095646E-05 3 0.2786853E-06 4 0.4446737E-08 5 0.3785823E-11 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 -1 0 0.9625701E-34 1 0.1719515E-05 2 0.1373978E-05 3 0.3254711E-06 4 0.4464499E-08 5 0.2085481E-10 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 0 0 0.1955049E-05 1 0.1810660E-05 2 0.8643792E-06 3 0.1391579E-06 4 0.1332999E-08 5 0.3361638E-10 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 1 0 0.1399990E-33 1 0.1719515E-05 2 0.1373978E-05 3 0.3254711E-06 4 0.4464499E-08 5 0.2085481E-10 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 2 0 0.3232272E-33 1 0.4966364E-06 2 0.1095646E-05 3 0.2786853E-06 4 0.4446737E-08 5 0.3785823E-11 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 3 0 0.3046943E-34 1 0.4628857E-07 2 0.3218839E-06 3 0.1119151E-06 4 0.2274213E-08 5 0.4696703E-11 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 4 0 0.7196572E-34 1 0.3123328E-07 2 0.5654235E-07 3 0.2153545E-07 4 0.5257596E-09 5 0.9439293E-11 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 5 0 0.1025435E-34 1 0.2692731E-07 2 0.2356550E-07 3 0.2798116E-08 4 0.3515344E-10 5 0.1353571E-11 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 6 0 0.8255865E-07 1 0.4714502E-07 2 0.2270964E-07 3 0.1495832E-08 4 0.1856830E-10 5 0.4075648E-11 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -8 0 0.3965677E-34 1 0.6139057E-14 2 0.0000000E+00 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -7 0 0.3103443E-34 1 0.3659483E-15 2 0.0000000E+00 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -6 0 0.1739823E-13 1 0.3272648E-14 2 0.0000000E+00 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -5 0 0.1328900E-34 1 0.7219117E-14 2 0.0000000E+00 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -4 0 0.9273857E-34 1 0.1762303E-14 2 0.0000000E+00 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -3 0 0.7130183E-34 1 0.2550848E-14 2 0.0000000E+00 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -2 0 0.1047154E-33 1 0.1379152E-13 2 0.0000000E+00 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -1 0 0.8760216E-34 1 0.1595870E-13 2 0.0000000E+00 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 0 0 0.6474404E-13 1 0.8325046E-14 2 0.0000000E+00 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 1 0 0.1455343E-33 1 0.1595870E-13 2 0.0000000E+00 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 2 0 0.1625984E-33 1 0.1379152E-13 2 0.0000000E+00 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 3 0 0.1888880E-34 1 0.2550848E-14 2 0.0000000E+00 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 4 0 0.2980174E-34 1 0.1762303E-14 2 0.0000000E+00 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 5 0 0.1122316E-34 1 0.7219117E-14 2 0.0000000E+00 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 6 0 0.1739823E-13 1 0.3272648E-14 2 0.0000000E+00 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 7 0 0.7154789E-34 1 0.3659483E-15 2 0.0000000E+00 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 8 0 0.8517604E-35 1 0.6139057E-14 2 0.0000000E+00 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 0 0 0 0.3590665E-09 1 0.0000000E+00 2 0.0000000E+00 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 sum of the probabilities = 0.9994357 average vibrational energy (ev) = 0.000000 average rotational energy (ev) = 0.023146 average diffraction energy (ev) = 0.057006 the reaction probability = 0.5642721D-03 $$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$ total energy = -0.38484582D+01 trans energy = 0.62857143D+00 trans energy in z = 0.62857143D+00 total momentum = 0.13028646D+02 $$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$ ************************************ rotation-diffraction summed probabilities ************************************ v probability av edif av erot 0 0.9431199E+00 0.8348599E-01 0.3730772E-01 1 0.1347795E-07 0.1033801E-01 0.4967145E-02 2 0.0000000E+00 0.0000000E+00 0.0000000E+00 ************************************ diffraction summed probabilities ************************************ v irot j m probability 0 43 0 0 0.3945081E+00 0 31 2 -2 0.1750003E+00 0 37 2 -1 0.1635352E-01 0 44 2 0 0.5990063E-01 0 50 2 1 0.1635352E-01 0 56 2 2 0.1750003E+00 0 21 4 -4 0.2195121E-01 0 26 4 -3 0.3255735E-02 0 32 4 -2 0.8742350E-02 0 38 4 -1 0.9175399E-02 0 45 4 0 0.1916085E-01 0 51 4 1 0.9175399E-02 0 57 4 2 0.8742350E-02 0 62 4 3 0.3255735E-02 0 67 4 4 0.2195121E-01 0 13 6 -6 0.3502155E-04 0 17 6 -5 0.7184340E-05 0 22 6 -4 0.1274141E-04 0 27 6 -3 0.2872537E-04 0 33 6 -2 0.7164161E-04 0 39 6 -1 0.8840998E-04 0 46 6 0 0.1058151E-03 0 52 6 1 0.8840998E-04 0 58 6 2 0.7164161E-04 0 63 6 3 0.2872537E-04 0 68 6 4 0.1274141E-04 0 72 6 5 0.7184340E-05 0 76 6 6 0.3502155E-04 0 7 8 -8 0.2711611E-11 0 10 8 -7 0.1129932E-11 0 14 8 -6 0.1061801E-11 0 18 8 -5 0.1135963E-11 0 23 8 -4 0.9467410E-12 0 28 8 -3 0.3894294E-11 0 34 8 -2 0.1613168E-10 0 40 8 -1 0.7008159E-10 0 47 8 0 0.2002379E-09 0 53 8 1 0.7008159E-10 0 59 8 2 0.1613168E-10 0 64 8 3 0.3894294E-11 0 69 8 4 0.9467410E-12 0 73 8 5 0.1135963E-11 0 77 8 6 0.1061801E-11 0 80 8 7 0.1129932E-11 0 83 8 8 0.2711611E-11 0 3 10 -10 0.0000000E+00 0 5 10 -9 0.0000000E+00 0 8 10 -8 0.0000000E+00 0 11 10 -7 0.0000000E+00 0 15 10 -6 0.0000000E+00 0 19 10 -5 0.0000000E+00 0 24 10 -4 0.0000000E+00 0 29 10 -3 0.0000000E+00 0 35 10 -2 0.0000000E+00 0 41 10 -1 0.0000000E+00 0 48 10 0 0.0000000E+00 0 54 10 1 0.0000000E+00 0 60 10 2 0.0000000E+00 0 65 10 3 0.0000000E+00 0 70 10 4 0.0000000E+00 0 74 10 5 0.0000000E+00 0 78 10 6 0.0000000E+00 0 81 10 7 0.0000000E+00 0 84 10 8 0.0000000E+00 0 86 10 9 0.0000000E+00 0 88 10 10 0.0000000E+00 0 1 12 -12 0.0000000E+00 0 2 12 -11 0.0000000E+00 0 4 12 -10 0.0000000E+00 0 6 12 -9 0.0000000E+00 0 9 12 -8 0.0000000E+00 0 12 12 -7 0.0000000E+00 0 16 12 -6 0.0000000E+00 0 20 12 -5 0.0000000E+00 0 25 12 -4 0.0000000E+00 0 30 12 -3 0.0000000E+00 0 36 12 -2 0.0000000E+00 0 42 12 -1 0.0000000E+00 0 49 12 0 0.0000000E+00 0 55 12 1 0.0000000E+00 0 61 12 2 0.0000000E+00 0 66 12 3 0.0000000E+00 0 71 12 4 0.0000000E+00 0 75 12 5 0.0000000E+00 0 79 12 6 0.0000000E+00 0 82 12 7 0.0000000E+00 0 85 12 8 0.0000000E+00 0 87 12 9 0.0000000E+00 0 89 12 10 0.0000000E+00 0 90 12 11 0.0000000E+00 0 91 12 12 0.0000000E+00 1 43 0 0 0.1196689E-07 1 31 2 -2 0.6104950E-09 1 37 2 -1 0.3325868E-10 1 44 2 0 0.2235622E-09 1 50 2 1 0.3325868E-10 1 56 2 2 0.6104950E-09 1 21 4 -4 0.0000000E+00 1 26 4 -3 0.0000000E+00 1 32 4 -2 0.0000000E+00 1 38 4 -1 0.0000000E+00 1 45 4 0 0.0000000E+00 1 51 4 1 0.0000000E+00 1 57 4 2 0.0000000E+00 1 62 4 3 0.0000000E+00 1 67 4 4 0.0000000E+00 1 13 6 -6 0.0000000E+00 1 17 6 -5 0.0000000E+00 1 22 6 -4 0.0000000E+00 1 27 6 -3 0.0000000E+00 1 33 6 -2 0.0000000E+00 1 39 6 -1 0.0000000E+00 1 46 6 0 0.0000000E+00 1 52 6 1 0.0000000E+00 1 58 6 2 0.0000000E+00 1 63 6 3 0.0000000E+00 1 68 6 4 0.0000000E+00 1 72 6 5 0.0000000E+00 1 76 6 6 0.0000000E+00 1 7 8 -8 0.0000000E+00 1 10 8 -7 0.0000000E+00 1 14 8 -6 0.0000000E+00 1 18 8 -5 0.0000000E+00 1 23 8 -4 0.0000000E+00 1 28 8 -3 0.0000000E+00 1 34 8 -2 0.0000000E+00 1 40 8 -1 0.0000000E+00 1 47 8 0 0.0000000E+00 1 53 8 1 0.0000000E+00 1 59 8 2 0.0000000E+00 1 64 8 3 0.0000000E+00 1 69 8 4 0.0000000E+00 1 73 8 5 0.0000000E+00 1 77 8 6 0.0000000E+00 1 80 8 7 0.0000000E+00 1 83 8 8 0.0000000E+00 1 3 10 -10 0.0000000E+00 1 5 10 -9 0.0000000E+00 1 8 10 -8 0.0000000E+00 1 11 10 -7 0.0000000E+00 1 15 10 -6 0.0000000E+00 1 19 10 -5 0.0000000E+00 1 24 10 -4 0.0000000E+00 1 29 10 -3 0.0000000E+00 1 35 10 -2 0.0000000E+00 1 41 10 -1 0.0000000E+00 1 48 10 0 0.0000000E+00 1 54 10 1 0.0000000E+00 1 60 10 2 0.0000000E+00 1 65 10 3 0.0000000E+00 1 70 10 4 0.0000000E+00 1 74 10 5 0.0000000E+00 1 78 10 6 0.0000000E+00 1 81 10 7 0.0000000E+00 1 84 10 8 0.0000000E+00 1 86 10 9 0.0000000E+00 1 88 10 10 0.0000000E+00 1 1 12 -12 0.0000000E+00 1 2 12 -11 0.0000000E+00 1 4 12 -10 0.0000000E+00 1 6 12 -9 0.0000000E+00 1 9 12 -8 0.0000000E+00 1 12 12 -7 0.0000000E+00 1 16 12 -6 0.0000000E+00 1 20 12 -5 0.0000000E+00 1 25 12 -4 0.0000000E+00 1 30 12 -3 0.0000000E+00 1 36 12 -2 0.0000000E+00 1 42 12 -1 0.0000000E+00 1 49 12 0 0.0000000E+00 1 55 12 1 0.0000000E+00 1 61 12 2 0.0000000E+00 1 66 12 3 0.0000000E+00 1 71 12 4 0.0000000E+00 1 75 12 5 0.0000000E+00 1 79 12 6 0.0000000E+00 1 82 12 7 0.0000000E+00 1 85 12 8 0.0000000E+00 1 87 12 9 0.0000000E+00 1 89 12 10 0.0000000E+00 1 90 12 11 0.0000000E+00 1 91 12 12 0.0000000E+00 2 43 0 0 0.0000000E+00 2 31 2 -2 0.0000000E+00 2 37 2 -1 0.0000000E+00 2 44 2 0 0.0000000E+00 2 50 2 1 0.0000000E+00 2 56 2 2 0.0000000E+00 2 21 4 -4 0.0000000E+00 2 26 4 -3 0.0000000E+00 2 32 4 -2 0.0000000E+00 2 38 4 -1 0.0000000E+00 2 45 4 0 0.0000000E+00 2 51 4 1 0.0000000E+00 2 57 4 2 0.0000000E+00 2 62 4 3 0.0000000E+00 2 67 4 4 0.0000000E+00 2 13 6 -6 0.0000000E+00 2 17 6 -5 0.0000000E+00 2 22 6 -4 0.0000000E+00 2 27 6 -3 0.0000000E+00 2 33 6 -2 0.0000000E+00 2 39 6 -1 0.0000000E+00 2 46 6 0 0.0000000E+00 2 52 6 1 0.0000000E+00 2 58 6 2 0.0000000E+00 2 63 6 3 0.0000000E+00 2 68 6 4 0.0000000E+00 2 72 6 5 0.0000000E+00 2 76 6 6 0.0000000E+00 2 7 8 -8 0.0000000E+00 2 10 8 -7 0.0000000E+00 2 14 8 -6 0.0000000E+00 2 18 8 -5 0.0000000E+00 2 23 8 -4 0.0000000E+00 2 28 8 -3 0.0000000E+00 2 34 8 -2 0.0000000E+00 2 40 8 -1 0.0000000E+00 2 47 8 0 0.0000000E+00 2 53 8 1 0.0000000E+00 2 59 8 2 0.0000000E+00 2 64 8 3 0.0000000E+00 2 69 8 4 0.0000000E+00 2 73 8 5 0.0000000E+00 2 77 8 6 0.0000000E+00 2 80 8 7 0.0000000E+00 2 83 8 8 0.0000000E+00 2 3 10 -10 0.0000000E+00 2 5 10 -9 0.0000000E+00 2 8 10 -8 0.0000000E+00 2 11 10 -7 0.0000000E+00 2 15 10 -6 0.0000000E+00 2 19 10 -5 0.0000000E+00 2 24 10 -4 0.0000000E+00 2 29 10 -3 0.0000000E+00 2 35 10 -2 0.0000000E+00 2 41 10 -1 0.0000000E+00 2 48 10 0 0.0000000E+00 2 54 10 1 0.0000000E+00 2 60 10 2 0.0000000E+00 2 65 10 3 0.0000000E+00 2 70 10 4 0.0000000E+00 2 74 10 5 0.0000000E+00 2 78 10 6 0.0000000E+00 2 81 10 7 0.0000000E+00 2 84 10 8 0.0000000E+00 2 86 10 9 0.0000000E+00 2 88 10 10 0.0000000E+00 2 1 12 -12 0.0000000E+00 2 2 12 -11 0.0000000E+00 2 4 12 -10 0.0000000E+00 2 6 12 -9 0.0000000E+00 2 9 12 -8 0.0000000E+00 2 12 12 -7 0.0000000E+00 2 16 12 -6 0.0000000E+00 2 20 12 -5 0.0000000E+00 2 25 12 -4 0.0000000E+00 2 30 12 -3 0.0000000E+00 2 36 12 -2 0.0000000E+00 2 42 12 -1 0.0000000E+00 2 49 12 0 0.0000000E+00 2 55 12 1 0.0000000E+00 2 61 12 2 0.0000000E+00 2 66 12 3 0.0000000E+00 2 71 12 4 0.0000000E+00 2 75 12 5 0.0000000E+00 2 79 12 6 0.0000000E+00 2 82 12 7 0.0000000E+00 2 85 12 8 0.0000000E+00 2 87 12 9 0.0000000E+00 2 89 12 10 0.0000000E+00 2 90 12 11 0.0000000E+00 2 91 12 12 0.0000000E+00 ************************************ probabilities as function of diffraction order ************************************ v, j, mj = 0 0 0 0 0.1940891E-01 1 0.3607739E-02 2 0.1171678E+00 3 0.5058173E-01 4 0.1108852E+00 5 0.8306714E-01 6 0.9640392E-02 7 0.1490318E-03 8 0.1877966E-06 9 0.8672767E-11 v, j, mj = 0 2 -2 0 0.1011673E-29 1 0.2212044E-01 2 0.2957601E-01 3 0.2625730E-01 4 0.6470161E-01 5 0.3022532E-01 6 0.2099411E-02 7 0.2017094E-04 8 0.1336547E-07 9 0.1611163E-11 v, j, mj = 0 2 -1 0 0.4856080E-32 1 0.3921151E-03 2 0.1702549E-03 3 0.7047140E-02 4 0.5710797E-02 5 0.2683434E-02 6 0.3444916E-03 7 0.5281637E-05 8 0.5480235E-08 9 0.1113290E-12 v, j, mj = 0 2 0 0 0.4746534E-02 1 0.1893685E-02 2 0.1221729E-01 3 0.7859003E-02 4 0.2329603E-01 5 0.9122946E-02 6 0.7509469E-03 7 0.1416849E-04 8 0.1635095E-07 9 0.6671079E-12 v, j, mj = 0 2 1 0 0.1369277E-32 1 0.3921151E-03 2 0.1702549E-03 3 0.7047140E-02 4 0.5710797E-02 5 0.2683434E-02 6 0.3444916E-03 7 0.5281637E-05 8 0.5480235E-08 9 0.1113290E-12 v, j, mj = 0 2 2 0 0.9806810E-30 1 0.2212044E-01 2 0.2957601E-01 3 0.2625730E-01 4 0.6470161E-01 5 0.3022532E-01 6 0.2099411E-02 7 0.2017094E-04 8 0.1336547E-07 9 0.1611163E-11 v, j, mj = 0 4 -4 0 0.7160085E-32 1 0.6375111E-02 2 0.6533201E-02 3 0.6403137E-02 4 0.2420628E-02 5 0.2167171E-03 6 0.2408880E-05 7 0.1017799E-07 8 0.4314957E-11 9 0.0000000E+00 v, j, mj = 0 4 -3 0 0.5283352E-33 1 0.2860916E-03 2 0.3674402E-03 3 0.1007900E-02 4 0.1100679E-02 5 0.4679081E-03 6 0.2565457E-04 7 0.6206911E-07 8 0.2570426E-11 9 0.0000000E+00 v, j, mj = 0 4 -2 0 0.1112755E-30 1 0.7119932E-03 2 0.1104270E-02 3 0.2559777E-02 4 0.3287712E-02 5 0.1037353E-02 6 0.4114238E-04 7 0.1022924E-06 8 0.2896649E-11 9 0.0000000E+00 v, j, mj = 0 4 -1 0 0.4198564E-33 1 0.1750635E-04 2 0.8768178E-03 3 0.1823114E-02 4 0.4792082E-02 5 0.1599667E-02 6 0.6604347E-04 7 0.1677296E-06 8 0.2207191E-11 9 0.0000000E+00 v, j, mj = 0 4 0 0 0.3539401E-03 1 0.1622400E-02 2 0.5376212E-02 3 0.3236259E-02 4 0.6772953E-02 5 0.1740090E-02 6 0.5888021E-04 7 0.1199006E-06 8 0.2011633E-11 9 0.0000000E+00 v, j, mj = 0 4 1 0 0.7397078E-33 1 0.1750635E-04 2 0.8768178E-03 3 0.1823114E-02 4 0.4792082E-02 5 0.1599667E-02 6 0.6604347E-04 7 0.1677296E-06 8 0.2207191E-11 9 0.0000000E+00 v, j, mj = 0 4 2 0 0.9027892E-31 1 0.7119932E-03 2 0.1104270E-02 3 0.2559777E-02 4 0.3287712E-02 5 0.1037353E-02 6 0.4114238E-04 7 0.1022924E-06 8 0.2896649E-11 9 0.0000000E+00 v, j, mj = 0 4 3 0 0.2752508E-32 1 0.2860916E-03 2 0.3674402E-03 3 0.1007900E-02 4 0.1100679E-02 5 0.4679081E-03 6 0.2565457E-04 7 0.6206911E-07 8 0.2570426E-11 9 0.0000000E+00 v, j, mj = 0 4 4 0 0.1455445E-31 1 0.6375111E-02 2 0.6533201E-02 3 0.6403137E-02 4 0.2420628E-02 5 0.2167171E-03 6 0.2408880E-05 7 0.1017799E-07 8 0.4314957E-11 9 0.0000000E+00 v, j, mj = 0 6 -6 0 0.8161644E-05 1 0.1088268E-04 2 0.1305408E-04 3 0.2789636E-05 4 0.1324470E-06 5 0.1054926E-08 6 0.2321811E-11 7 0.6826288E-12 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 -5 0 0.6311415E-34 1 0.7020684E-06 2 0.3968164E-05 3 0.2230974E-05 4 0.2733168E-06 5 0.9803504E-08 6 0.1180074E-10 7 0.9356403E-12 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 -4 0 0.2558148E-33 1 0.1844483E-05 2 0.3772302E-05 3 0.5122882E-05 4 0.1929374E-05 5 0.7231690E-07 6 0.4754346E-10 7 0.1682000E-11 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 -3 0 0.2278270E-34 1 0.4238439E-06 2 0.2528254E-05 3 0.1745886E-04 4 0.8064829E-05 5 0.2494514E-06 6 0.1313542E-09 7 0.7804192E-12 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 -2 0 0.3128551E-32 1 0.3496663E-05 2 0.8012265E-05 3 0.4443122E-04 4 0.1531409E-04 5 0.3871985E-06 6 0.1726548E-09 7 0.2584624E-11 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 -1 0 0.1283549E-33 1 0.6724182E-05 2 0.1628482E-04 3 0.4864567E-04 4 0.1637514E-04 5 0.3799623E-06 6 0.2031008E-09 7 0.1993890E-11 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 0 0 0.2120970E-04 1 0.4828448E-04 2 0.1082400E-04 3 0.1832341E-04 4 0.6999720E-05 5 0.1736497E-06 6 0.8964651E-10 7 0.1285308E-11 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 1 0 0.2476817E-33 1 0.6724182E-05 2 0.1628482E-04 3 0.4864567E-04 4 0.1637514E-04 5 0.3799623E-06 6 0.2031008E-09 7 0.1993890E-11 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 2 0 0.4034871E-32 1 0.3496663E-05 2 0.8012265E-05 3 0.4443122E-04 4 0.1531409E-04 5 0.3871985E-06 6 0.1726548E-09 7 0.2584624E-11 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 3 0 0.5307537E-34 1 0.4238439E-06 2 0.2528254E-05 3 0.1745886E-04 4 0.8064829E-05 5 0.2494514E-06 6 0.1313542E-09 7 0.7804192E-12 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 4 0 0.7228267E-33 1 0.1844483E-05 2 0.3772302E-05 3 0.5122882E-05 4 0.1929374E-05 5 0.7231690E-07 6 0.4754346E-10 7 0.1682000E-11 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 5 0 0.1860734E-34 1 0.7020684E-06 2 0.3968164E-05 3 0.2230974E-05 4 0.2733168E-06 5 0.9803504E-08 6 0.1180074E-10 7 0.9356403E-12 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 6 0 0.8161644E-05 1 0.1088268E-04 2 0.1305408E-04 3 0.2789636E-05 4 0.1324470E-06 5 0.1054926E-08 6 0.2321811E-11 7 0.6826288E-12 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -8 0 0.1140004E-34 1 0.6136040E-12 2 0.6691661E-12 3 0.8176183E-12 4 0.6112231E-12 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -7 0 0.2553993E-34 1 0.4986347E-12 2 0.1573068E-12 3 0.3861081E-12 4 0.8788201E-13 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -6 0 0.4830495E-12 1 0.7359159E-13 2 0.6769267E-13 3 0.1457437E-12 4 0.2917234E-12 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -5 0 0.9503612E-35 1 0.2980877E-12 2 0.5170598E-12 3 0.1351052E-12 4 0.1857103E-12 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -4 0 0.4881617E-34 1 0.7184467E-13 2 0.1155616E-12 3 0.3593899E-12 4 0.3999448E-12 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -3 0 0.7157157E-34 1 0.1323388E-11 2 0.1830898E-11 3 0.5970628E-12 4 0.1429446E-12 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -2 0 0.5836169E-34 1 0.1042189E-10 2 0.3966830E-11 3 0.1205271E-11 4 0.5376901E-12 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -1 0 0.6573307E-35 1 0.6640625E-10 2 0.8590812E-12 3 0.1291582E-11 4 0.1524670E-11 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 0 0 0.1480454E-09 1 0.4497832E-10 2 0.1122723E-11 3 0.2568207E-11 4 0.3523250E-11 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 1 0 0.8917638E-34 1 0.6640625E-10 2 0.8590812E-12 3 0.1291582E-11 4 0.1524670E-11 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 2 0 0.2332382E-34 1 0.1042189E-10 2 0.3966830E-11 3 0.1205271E-11 4 0.5376901E-12 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 3 0 0.2190715E-34 1 0.1323388E-11 2 0.1830898E-11 3 0.5970628E-12 4 0.1429446E-12 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 4 0 0.1153711E-34 1 0.7184467E-13 2 0.1155616E-12 3 0.3593899E-12 4 0.3999448E-12 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 5 0 0.3324352E-34 1 0.2980877E-12 2 0.5170598E-12 3 0.1351052E-12 4 0.1857103E-12 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 6 0 0.4830495E-12 1 0.7359159E-13 2 0.6769267E-13 3 0.1457437E-12 4 0.2917234E-12 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 7 0 0.3925479E-35 1 0.4986347E-12 2 0.1573068E-12 3 0.3861081E-12 4 0.8788201E-13 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 8 0 0.8150846E-34 1 0.6136040E-12 2 0.6691661E-12 3 0.8176183E-12 4 0.6112231E-12 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 0 0 0 0.8015296E-08 1 0.2094322E-08 2 0.9262207E-09 3 0.7541077E-09 4 0.1769385E-09 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 2 -2 0 0.1167051E-33 1 0.3852142E-09 2 0.1702472E-09 3 0.5503354E-10 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 2 -1 0 0.2079076E-33 1 0.7883905E-11 2 0.2078696E-10 3 0.4587824E-11 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 2 0 0 0.3698987E-10 1 0.6913604E-10 2 0.9851924E-10 3 0.1891703E-10 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 2 1 0 0.4442015E-34 1 0.7883905E-11 2 0.2078696E-10 3 0.4587824E-11 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 2 2 0 0.4003511E-33 1 0.3852142E-09 2 0.1702472E-09 3 0.5503354E-10 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 sum of the probabilities = 0.9431199 average vibrational energy (ev) = 0.000000 average rotational energy (ev) = 0.037308 average diffraction energy (ev) = 0.083486 the reaction probability = 0.5688013D-01 $$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$ total energy = -0.37341725D+01 trans energy = 0.74285714D+00 trans energy in z = 0.74285714D+00 total momentum = 0.14163631D+02 $$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$ ************************************ rotation-diffraction summed probabilities ************************************ v probability av edif av erot 0 0.7316833E+00 0.1181323E+00 0.5677039E-01 1 0.1970966E-05 0.1384414E-01 0.9531409E-03 2 0.0000000E+00 0.0000000E+00 0.0000000E+00 ************************************ diffraction summed probabilities ************************************ v irot j m probability 0 43 0 0 0.2278585E+00 0 31 2 -2 0.1187422E+00 0 37 2 -1 0.1709398E-01 0 44 2 0 0.5510030E-01 0 50 2 1 0.1709398E-01 0 56 2 2 0.1187422E+00 0 21 4 -4 0.3748289E-01 0 26 4 -3 0.8650403E-02 0 32 4 -2 0.1538826E-01 0 38 4 -1 0.1294691E-01 0 45 4 0 0.2041213E-01 0 51 4 1 0.1294691E-01 0 57 4 2 0.1538826E-01 0 62 4 3 0.8650403E-02 0 67 4 4 0.3748289E-01 0 13 6 -6 0.1521214E-02 0 17 6 -5 0.1249021E-03 0 22 6 -4 0.2324220E-03 0 27 6 -3 0.3123904E-03 0 33 6 -2 0.5783446E-03 0 39 6 -1 0.6572720E-03 0 46 6 0 0.8494493E-03 0 52 6 1 0.6572720E-03 0 58 6 2 0.5783446E-03 0 63 6 3 0.3123904E-03 0 68 6 4 0.2324220E-03 0 72 6 5 0.1249021E-03 0 76 6 6 0.1521214E-02 0 7 8 -8 0.1100423E-07 0 10 8 -7 0.2335392E-08 0 14 8 -6 0.3191291E-08 0 18 8 -5 0.3132599E-08 0 23 8 -4 0.6310693E-08 0 28 8 -3 0.2433031E-07 0 34 8 -2 0.5921727E-07 0 40 8 -1 0.9950457E-07 0 47 8 0 0.1525938E-06 0 53 8 1 0.9950457E-07 0 59 8 2 0.5921727E-07 0 64 8 3 0.2433031E-07 0 69 8 4 0.6310693E-08 0 73 8 5 0.3132599E-08 0 77 8 6 0.3191291E-08 0 80 8 7 0.2335392E-08 0 83 8 8 0.1100423E-07 0 3 10 -10 0.0000000E+00 0 5 10 -9 0.0000000E+00 0 8 10 -8 0.0000000E+00 0 11 10 -7 0.0000000E+00 0 15 10 -6 0.0000000E+00 0 19 10 -5 0.0000000E+00 0 24 10 -4 0.0000000E+00 0 29 10 -3 0.0000000E+00 0 35 10 -2 0.0000000E+00 0 41 10 -1 0.0000000E+00 0 48 10 0 0.0000000E+00 0 54 10 1 0.0000000E+00 0 60 10 2 0.0000000E+00 0 65 10 3 0.0000000E+00 0 70 10 4 0.0000000E+00 0 74 10 5 0.0000000E+00 0 78 10 6 0.0000000E+00 0 81 10 7 0.0000000E+00 0 84 10 8 0.0000000E+00 0 86 10 9 0.0000000E+00 0 88 10 10 0.0000000E+00 0 1 12 -12 0.0000000E+00 0 2 12 -11 0.0000000E+00 0 4 12 -10 0.0000000E+00 0 6 12 -9 0.0000000E+00 0 9 12 -8 0.0000000E+00 0 12 12 -7 0.0000000E+00 0 16 12 -6 0.0000000E+00 0 20 12 -5 0.0000000E+00 0 25 12 -4 0.0000000E+00 0 30 12 -3 0.0000000E+00 0 36 12 -2 0.0000000E+00 0 42 12 -1 0.0000000E+00 0 49 12 0 0.0000000E+00 0 55 12 1 0.0000000E+00 0 61 12 2 0.0000000E+00 0 66 12 3 0.0000000E+00 0 71 12 4 0.0000000E+00 0 75 12 5 0.0000000E+00 0 79 12 6 0.0000000E+00 0 82 12 7 0.0000000E+00 0 85 12 8 0.0000000E+00 0 87 12 9 0.0000000E+00 0 89 12 10 0.0000000E+00 0 90 12 11 0.0000000E+00 0 91 12 12 0.0000000E+00 1 43 0 0 0.1930115E-05 1 31 2 -2 0.1411133E-07 1 37 2 -1 0.1502648E-08 1 44 2 0 0.8947491E-08 1 50 2 1 0.1502648E-08 1 56 2 2 0.1411133E-07 1 21 4 -4 0.2941503E-09 1 26 4 -3 0.1184466E-10 1 32 4 -2 0.1210304E-10 1 38 4 -1 0.9390649E-11 1 45 4 0 0.2046294E-10 1 51 4 1 0.9390649E-11 1 57 4 2 0.1210304E-10 1 62 4 3 0.1184466E-10 1 67 4 4 0.2941503E-09 1 13 6 -6 0.0000000E+00 1 17 6 -5 0.0000000E+00 1 22 6 -4 0.0000000E+00 1 27 6 -3 0.0000000E+00 1 33 6 -2 0.0000000E+00 1 39 6 -1 0.0000000E+00 1 46 6 0 0.0000000E+00 1 52 6 1 0.0000000E+00 1 58 6 2 0.0000000E+00 1 63 6 3 0.0000000E+00 1 68 6 4 0.0000000E+00 1 72 6 5 0.0000000E+00 1 76 6 6 0.0000000E+00 1 7 8 -8 0.0000000E+00 1 10 8 -7 0.0000000E+00 1 14 8 -6 0.0000000E+00 1 18 8 -5 0.0000000E+00 1 23 8 -4 0.0000000E+00 1 28 8 -3 0.0000000E+00 1 34 8 -2 0.0000000E+00 1 40 8 -1 0.0000000E+00 1 47 8 0 0.0000000E+00 1 53 8 1 0.0000000E+00 1 59 8 2 0.0000000E+00 1 64 8 3 0.0000000E+00 1 69 8 4 0.0000000E+00 1 73 8 5 0.0000000E+00 1 77 8 6 0.0000000E+00 1 80 8 7 0.0000000E+00 1 83 8 8 0.0000000E+00 1 3 10 -10 0.0000000E+00 1 5 10 -9 0.0000000E+00 1 8 10 -8 0.0000000E+00 1 11 10 -7 0.0000000E+00 1 15 10 -6 0.0000000E+00 1 19 10 -5 0.0000000E+00 1 24 10 -4 0.0000000E+00 1 29 10 -3 0.0000000E+00 1 35 10 -2 0.0000000E+00 1 41 10 -1 0.0000000E+00 1 48 10 0 0.0000000E+00 1 54 10 1 0.0000000E+00 1 60 10 2 0.0000000E+00 1 65 10 3 0.0000000E+00 1 70 10 4 0.0000000E+00 1 74 10 5 0.0000000E+00 1 78 10 6 0.0000000E+00 1 81 10 7 0.0000000E+00 1 84 10 8 0.0000000E+00 1 86 10 9 0.0000000E+00 1 88 10 10 0.0000000E+00 1 1 12 -12 0.0000000E+00 1 2 12 -11 0.0000000E+00 1 4 12 -10 0.0000000E+00 1 6 12 -9 0.0000000E+00 1 9 12 -8 0.0000000E+00 1 12 12 -7 0.0000000E+00 1 16 12 -6 0.0000000E+00 1 20 12 -5 0.0000000E+00 1 25 12 -4 0.0000000E+00 1 30 12 -3 0.0000000E+00 1 36 12 -2 0.0000000E+00 1 42 12 -1 0.0000000E+00 1 49 12 0 0.0000000E+00 1 55 12 1 0.0000000E+00 1 61 12 2 0.0000000E+00 1 66 12 3 0.0000000E+00 1 71 12 4 0.0000000E+00 1 75 12 5 0.0000000E+00 1 79 12 6 0.0000000E+00 1 82 12 7 0.0000000E+00 1 85 12 8 0.0000000E+00 1 87 12 9 0.0000000E+00 1 89 12 10 0.0000000E+00 1 90 12 11 0.0000000E+00 1 91 12 12 0.0000000E+00 2 43 0 0 0.0000000E+00 2 31 2 -2 0.0000000E+00 2 37 2 -1 0.0000000E+00 2 44 2 0 0.0000000E+00 2 50 2 1 0.0000000E+00 2 56 2 2 0.0000000E+00 2 21 4 -4 0.0000000E+00 2 26 4 -3 0.0000000E+00 2 32 4 -2 0.0000000E+00 2 38 4 -1 0.0000000E+00 2 45 4 0 0.0000000E+00 2 51 4 1 0.0000000E+00 2 57 4 2 0.0000000E+00 2 62 4 3 0.0000000E+00 2 67 4 4 0.0000000E+00 2 13 6 -6 0.0000000E+00 2 17 6 -5 0.0000000E+00 2 22 6 -4 0.0000000E+00 2 27 6 -3 0.0000000E+00 2 33 6 -2 0.0000000E+00 2 39 6 -1 0.0000000E+00 2 46 6 0 0.0000000E+00 2 52 6 1 0.0000000E+00 2 58 6 2 0.0000000E+00 2 63 6 3 0.0000000E+00 2 68 6 4 0.0000000E+00 2 72 6 5 0.0000000E+00 2 76 6 6 0.0000000E+00 2 7 8 -8 0.0000000E+00 2 10 8 -7 0.0000000E+00 2 14 8 -6 0.0000000E+00 2 18 8 -5 0.0000000E+00 2 23 8 -4 0.0000000E+00 2 28 8 -3 0.0000000E+00 2 34 8 -2 0.0000000E+00 2 40 8 -1 0.0000000E+00 2 47 8 0 0.0000000E+00 2 53 8 1 0.0000000E+00 2 59 8 2 0.0000000E+00 2 64 8 3 0.0000000E+00 2 69 8 4 0.0000000E+00 2 73 8 5 0.0000000E+00 2 77 8 6 0.0000000E+00 2 80 8 7 0.0000000E+00 2 83 8 8 0.0000000E+00 2 3 10 -10 0.0000000E+00 2 5 10 -9 0.0000000E+00 2 8 10 -8 0.0000000E+00 2 11 10 -7 0.0000000E+00 2 15 10 -6 0.0000000E+00 2 19 10 -5 0.0000000E+00 2 24 10 -4 0.0000000E+00 2 29 10 -3 0.0000000E+00 2 35 10 -2 0.0000000E+00 2 41 10 -1 0.0000000E+00 2 48 10 0 0.0000000E+00 2 54 10 1 0.0000000E+00 2 60 10 2 0.0000000E+00 2 65 10 3 0.0000000E+00 2 70 10 4 0.0000000E+00 2 74 10 5 0.0000000E+00 2 78 10 6 0.0000000E+00 2 81 10 7 0.0000000E+00 2 84 10 8 0.0000000E+00 2 86 10 9 0.0000000E+00 2 88 10 10 0.0000000E+00 2 1 12 -12 0.0000000E+00 2 2 12 -11 0.0000000E+00 2 4 12 -10 0.0000000E+00 2 6 12 -9 0.0000000E+00 2 9 12 -8 0.0000000E+00 2 12 12 -7 0.0000000E+00 2 16 12 -6 0.0000000E+00 2 20 12 -5 0.0000000E+00 2 25 12 -4 0.0000000E+00 2 30 12 -3 0.0000000E+00 2 36 12 -2 0.0000000E+00 2 42 12 -1 0.0000000E+00 2 49 12 0 0.0000000E+00 2 55 12 1 0.0000000E+00 2 61 12 2 0.0000000E+00 2 66 12 3 0.0000000E+00 2 71 12 4 0.0000000E+00 2 75 12 5 0.0000000E+00 2 79 12 6 0.0000000E+00 2 82 12 7 0.0000000E+00 2 85 12 8 0.0000000E+00 2 87 12 9 0.0000000E+00 2 89 12 10 0.0000000E+00 2 90 12 11 0.0000000E+00 2 91 12 12 0.0000000E+00 ************************************ probabilities as function of diffraction order ************************************ v, j, mj = 0 0 0 0 0.1953183E-02 1 0.6371678E-02 2 0.4179428E-01 3 0.4315614E-01 4 0.3995276E-01 5 0.5340466E-01 6 0.3803295E-01 7 0.3167961E-02 8 0.2486366E-04 9 0.7279061E-08 v, j, mj = 0 2 -2 0 0.2599244E-30 1 0.1130277E-02 2 0.6192456E-02 3 0.2416997E-01 4 0.1477528E-01 5 0.4955768E-01 6 0.2163524E-01 7 0.1272577E-02 8 0.8711616E-05 9 0.2362890E-08 v, j, mj = 0 2 -1 0 0.1289649E-33 1 0.2351509E-03 2 0.9182467E-03 3 0.4290265E-02 4 0.7440399E-02 5 0.3303118E-02 6 0.8693951E-03 7 0.3723193E-04 8 0.1747233E-06 9 0.1998107E-09 v, j, mj = 0 2 0 0 0.5140987E-03 1 0.5273975E-02 2 0.3659825E-02 3 0.1301924E-01 4 0.6956825E-02 5 0.2055750E-01 6 0.4940730E-02 7 0.1753109E-03 8 0.2787001E-05 9 0.2432461E-08 v, j, mj = 0 2 1 0 0.1886077E-32 1 0.2351509E-03 2 0.9182467E-03 3 0.4290265E-02 4 0.7440399E-02 5 0.3303118E-02 6 0.8693951E-03 7 0.3723193E-04 8 0.1747233E-06 9 0.1998107E-09 v, j, mj = 0 2 2 0 0.2072550E-30 1 0.1130277E-02 2 0.6192456E-02 3 0.2416997E-01 4 0.1477528E-01 5 0.4955768E-01 6 0.2163524E-01 7 0.1272577E-02 8 0.8711616E-05 9 0.2362890E-08 v, j, mj = 0 4 -4 0 0.1829005E-31 1 0.8672988E-02 2 0.8622023E-02 3 0.1058264E-01 4 0.5894991E-02 5 0.3299410E-02 6 0.4010788E-03 7 0.9734826E-05 8 0.1862853E-07 9 0.2541503E-11 v, j, mj = 0 4 -3 0 0.4076845E-33 1 0.7413432E-03 2 0.1038615E-02 3 0.2239688E-02 4 0.2853714E-02 5 0.1396924E-02 6 0.3691947E-03 7 0.1091183E-04 8 0.1314036E-07 9 0.4612631E-12 v, j, mj = 0 4 -2 0 0.1060857E-31 1 0.1297745E-02 2 0.1456595E-02 3 0.3849732E-02 4 0.3841848E-02 5 0.4128937E-02 6 0.7910202E-03 7 0.2234583E-04 8 0.4003534E-07 9 0.9763607E-12 v, j, mj = 0 4 -1 0 0.6833466E-33 1 0.3083346E-04 2 0.1006388E-02 3 0.1153714E-02 4 0.3751734E-02 5 0.5649611E-02 6 0.1316466E-02 7 0.3810557E-04 8 0.6145502E-07 9 0.3279628E-12 v, j, mj = 0 4 0 0 0.2350674E-03 1 0.5642270E-03 2 0.5271133E-02 3 0.3740479E-02 4 0.4241013E-02 5 0.5288920E-02 6 0.1046257E-02 7 0.2500891E-04 8 0.2368427E-07 9 0.1902815E-12 v, j, mj = 0 4 1 0 0.8177043E-33 1 0.3083346E-04 2 0.1006388E-02 3 0.1153714E-02 4 0.3751734E-02 5 0.5649611E-02 6 0.1316466E-02 7 0.3810557E-04 8 0.6145502E-07 9 0.3279628E-12 v, j, mj = 0 4 2 0 0.1786249E-31 1 0.1297745E-02 2 0.1456595E-02 3 0.3849732E-02 4 0.3841848E-02 5 0.4128937E-02 6 0.7910202E-03 7 0.2234583E-04 8 0.4003534E-07 9 0.9763607E-12 v, j, mj = 0 4 3 0 0.1892707E-32 1 0.7413432E-03 2 0.1038615E-02 3 0.2239688E-02 4 0.2853714E-02 5 0.1396924E-02 6 0.3691947E-03 7 0.1091183E-04 8 0.1314036E-07 9 0.4612631E-12 v, j, mj = 0 4 4 0 0.3564399E-31 1 0.8672988E-02 2 0.8622023E-02 3 0.1058264E-01 4 0.5894991E-02 5 0.3299410E-02 6 0.4010788E-03 7 0.9734826E-05 8 0.1862853E-07 9 0.2541503E-11 v, j, mj = 0 6 -6 0 0.4311070E-03 1 0.3754523E-03 2 0.5116105E-03 3 0.1609219E-03 4 0.4058759E-04 5 0.1514415E-05 6 0.1978709E-07 7 0.1823039E-10 8 0.1039942E-11 9 0.0000000E+00 v, j, mj = 0 6 -5 0 0.1004988E-34 1 0.2313704E-05 2 0.5938590E-04 3 0.3996626E-04 4 0.1995620E-04 5 0.3168903E-05 6 0.1110883E-06 7 0.8474365E-10 8 0.7473584E-12 9 0.0000000E+00 v, j, mj = 0 6 -4 0 0.1912740E-32 1 0.3839977E-04 2 0.5167801E-04 3 0.7324105E-04 4 0.4992232E-04 5 0.1854381E-04 6 0.6365687E-06 7 0.4813881E-09 8 0.1577127E-11 9 0.0000000E+00 v, j, mj = 0 6 -3 0 0.2770269E-34 1 0.8997480E-05 2 0.1714515E-04 3 0.4506875E-04 4 0.1722568E-03 5 0.6700620E-04 6 0.1914887E-05 7 0.1153165E-08 8 0.1201939E-11 9 0.0000000E+00 v, j, mj = 0 6 -2 0 0.2167960E-32 1 0.4414312E-04 2 0.6931627E-04 3 0.7109500E-04 4 0.2949652E-03 5 0.9644028E-04 6 0.2383366E-05 7 0.1393981E-08 8 0.1437431E-11 9 0.0000000E+00 v, j, mj = 0 6 -1 0 0.1268896E-33 1 0.2407975E-05 2 0.1556371E-03 3 0.5984707E-04 4 0.3367042E-03 5 0.1002929E-03 6 0.2381190E-05 7 0.1455622E-08 8 0.3162471E-11 9 0.0000000E+00 v, j, mj = 0 6 0 0 0.5733964E-04 1 0.1400436E-04 2 0.5227717E-03 3 0.1016435E-03 4 0.1053598E-03 5 0.4701710E-04 6 0.1312268E-05 7 0.9182009E-09 8 0.1341955E-11 9 0.0000000E+00 v, j, mj = 0 6 1 0 0.7468711E-33 1 0.2407975E-05 2 0.1556371E-03 3 0.5984707E-04 4 0.3367042E-03 5 0.1002929E-03 6 0.2381190E-05 7 0.1455622E-08 8 0.3162471E-11 9 0.0000000E+00 v, j, mj = 0 6 2 0 0.9263374E-33 1 0.4414312E-04 2 0.6931627E-04 3 0.7109500E-04 4 0.2949652E-03 5 0.9644028E-04 6 0.2383366E-05 7 0.1393981E-08 8 0.1437431E-11 9 0.0000000E+00 v, j, mj = 0 6 3 0 0.1069495E-33 1 0.8997480E-05 2 0.1714515E-04 3 0.4506875E-04 4 0.1722568E-03 5 0.6700620E-04 6 0.1914887E-05 7 0.1153165E-08 8 0.1201939E-11 9 0.0000000E+00 v, j, mj = 0 6 4 0 0.3219806E-32 1 0.3839977E-04 2 0.5167801E-04 3 0.7324105E-04 4 0.4992232E-04 5 0.1854381E-04 6 0.6365687E-06 7 0.4813881E-09 8 0.1577127E-11 9 0.0000000E+00 v, j, mj = 0 6 5 0 0.1344924E-33 1 0.2313704E-05 2 0.5938590E-04 3 0.3996626E-04 4 0.1995620E-04 5 0.3168903E-05 6 0.1110883E-06 7 0.8474365E-10 8 0.7473584E-12 9 0.0000000E+00 v, j, mj = 0 6 6 0 0.4311070E-03 1 0.3754523E-03 2 0.5116105E-03 3 0.1609219E-03 4 0.4058759E-04 5 0.1514415E-05 6 0.1978709E-07 7 0.1823039E-10 8 0.1039942E-11 9 0.0000000E+00 v, j, mj = 0 8 -8 0 0.6023377E-34 1 0.6763199E-08 2 0.3827121E-08 3 0.4092065E-09 4 0.3693191E-11 5 0.3460960E-12 6 0.6639880E-12 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -7 0 0.7511137E-35 1 0.5786997E-09 2 0.1300451E-08 3 0.4426965E-09 4 0.1283107E-10 5 0.3449971E-12 6 0.3686595E-12 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -6 0 0.2067677E-09 1 0.7442329E-09 2 0.1777485E-08 3 0.4490359E-09 4 0.1297961E-10 5 0.4495288E-12 6 0.3402359E-12 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -5 0 0.1201624E-34 1 0.4040742E-09 2 0.1783295E-08 3 0.8987253E-09 4 0.4509240E-10 5 0.8988003E-12 6 0.5132771E-12 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -4 0 0.2357269E-34 1 0.1864479E-09 2 0.2373775E-08 3 0.3465453E-08 4 0.2838966E-09 5 0.8266173E-12 6 0.2930208E-12 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -3 0 0.1783514E-34 1 0.1867674E-08 2 0.1016609E-07 3 0.1147656E-07 4 0.8181693E-09 5 0.1655437E-11 6 0.1591016E-12 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -2 0 0.2424832E-34 1 0.1917349E-07 2 0.2213398E-07 3 0.1689152E-07 4 0.1016574E-08 5 0.1348060E-11 6 0.3617667E-12 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -1 0 0.6141534E-34 1 0.5990643E-07 2 0.2928964E-07 3 0.9789679E-08 4 0.5157063E-09 5 0.2410812E-11 6 0.7054640E-12 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 0 0 0.6674434E-07 1 0.7632555E-07 2 0.8620695E-08 3 0.7423243E-09 4 0.1559664E-09 5 0.3546025E-11 6 0.1419227E-11 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 1 0 0.5181946E-36 1 0.5990643E-07 2 0.2928964E-07 3 0.9789679E-08 4 0.5157063E-09 5 0.2410812E-11 6 0.7054640E-12 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 2 0 0.2495609E-34 1 0.1917349E-07 2 0.2213398E-07 3 0.1689152E-07 4 0.1016574E-08 5 0.1348060E-11 6 0.3617667E-12 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 3 0 0.3168151E-34 1 0.1867674E-08 2 0.1016609E-07 3 0.1147656E-07 4 0.8181693E-09 5 0.1655437E-11 6 0.1591016E-12 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 4 0 0.1531286E-33 1 0.1864479E-09 2 0.2373775E-08 3 0.3465453E-08 4 0.2838966E-09 5 0.8266173E-12 6 0.2930208E-12 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 5 0 0.4420905E-34 1 0.4040742E-09 2 0.1783295E-08 3 0.8987253E-09 4 0.4509240E-10 5 0.8988003E-12 6 0.5132771E-12 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 6 0 0.2067677E-09 1 0.7442329E-09 2 0.1777485E-08 3 0.4490359E-09 4 0.1297961E-10 5 0.4495288E-12 6 0.3402359E-12 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 7 0 0.4924492E-35 1 0.5786997E-09 2 0.1300451E-08 3 0.4426965E-09 4 0.1283107E-10 5 0.3449971E-12 6 0.3686595E-12 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 8 0 0.2174216E-34 1 0.6763199E-08 2 0.3827121E-08 3 0.4092065E-09 4 0.3693191E-11 5 0.3460960E-12 6 0.6639880E-12 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 0 0 0 0.8269510E-06 1 0.2731994E-06 2 0.8198869E-06 3 0.9729611E-08 4 0.2100829E-09 5 0.7712419E-10 6 0.6063577E-10 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 2 -2 0 0.2313168E-32 1 0.8837953E-08 2 0.4634387E-08 3 0.5295568E-09 4 0.7219526E-10 5 0.3723395E-10 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 2 -1 0 0.2784743E-33 1 0.5430916E-09 2 0.6849931E-09 3 0.2537450E-09 4 0.9459463E-11 5 0.1135849E-10 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 2 0 0 0.1073455E-08 1 0.1320155E-08 2 0.6435927E-08 3 0.6276329E-10 4 0.1231701E-10 5 0.4287342E-10 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 2 1 0 0.7457569E-33 1 0.5430916E-09 2 0.6849931E-09 3 0.2537450E-09 4 0.9459463E-11 5 0.1135849E-10 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 2 2 0 0.9523885E-33 1 0.8837953E-08 2 0.4634387E-08 3 0.5295568E-09 4 0.7219526E-10 5 0.3723395E-10 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 -4 0 0.8919375E-33 1 0.1036570E-09 2 0.1347968E-09 3 0.5569646E-10 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 -3 0 0.2810709E-33 1 0.6830311E-11 2 0.3724372E-11 3 0.1289975E-11 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 -2 0 0.5043777E-33 1 0.9718417E-12 2 0.3182746E-11 3 0.7948450E-11 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 -1 0 0.7572983E-34 1 0.1795639E-12 2 0.2990246E-11 3 0.6220840E-11 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 0 0 0.2536536E-11 1 0.5907569E-12 2 0.7358429E-11 3 0.9977220E-11 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 1 0 0.8416111E-34 1 0.1795639E-12 2 0.2990246E-11 3 0.6220840E-11 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 2 0 0.1414123E-32 1 0.9718417E-12 2 0.3182746E-11 3 0.7948450E-11 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 3 0 0.8314266E-34 1 0.6830311E-11 2 0.3724372E-11 3 0.1289975E-11 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 4 0 0.4932739E-34 1 0.1036570E-09 2 0.1347968E-09 3 0.5569646E-10 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 sum of the probabilities = 0.7316853 average vibrational energy (ev) = 0.000001 average rotational energy (ev) = 0.056770 average diffraction energy (ev) = 0.118132 the reaction probability = 0.2683147D+00 $$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$ total energy = -0.36198867D+01 trans energy = 0.85714286D+00 trans energy in z = 0.85714286D+00 total momentum = 0.15214181D+02 $$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$ ************************************ rotation-diffraction summed probabilities ************************************ v probability av edif av erot 0 0.5289787E+00 0.1588786E+00 0.7949699E-01 1 0.2658471E-02 0.1581543E-01 0.5057345E-02 2 0.0000000E+00 0.0000000E+00 0.0000000E+00 ************************************ diffraction summed probabilities ************************************ v irot j m probability 0 43 0 0 0.1042706E+00 0 31 2 -2 0.8299031E-01 0 37 2 -1 0.1599546E-01 0 44 2 0 0.4830711E-01 0 50 2 1 0.1599546E-01 0 56 2 2 0.8299031E-01 0 21 4 -4 0.2267272E-01 0 26 4 -3 0.1531722E-01 0 32 4 -2 0.1487786E-01 0 38 4 -1 0.1270809E-01 0 45 4 0 0.1476435E-01 0 51 4 1 0.1270809E-01 0 57 4 2 0.1487786E-01 0 62 4 3 0.1531722E-01 0 67 4 4 0.2267272E-01 0 13 6 -6 0.6375135E-02 0 17 6 -5 0.1242399E-02 0 22 6 -4 0.1411088E-02 0 27 6 -3 0.1436186E-02 0 33 6 -2 0.1998106E-02 0 39 6 -1 0.2328383E-02 0 46 6 0 0.2835458E-02 0 52 6 1 0.2328383E-02 0 58 6 2 0.1998106E-02 0 63 6 3 0.1436186E-02 0 68 6 4 0.1411088E-02 0 72 6 5 0.1242399E-02 0 76 6 6 0.6375135E-02 0 7 8 -8 0.2984813E-04 0 10 8 -7 0.6203934E-06 0 14 8 -6 0.1553724E-05 0 18 8 -5 0.5806334E-06 0 23 8 -4 0.9824529E-06 0 28 8 -3 0.1980810E-05 0 34 8 -2 0.3996202E-05 0 40 8 -1 0.4857046E-05 0 47 8 0 0.6394497E-05 0 53 8 1 0.4857046E-05 0 59 8 2 0.3996202E-05 0 64 8 3 0.1980810E-05 0 69 8 4 0.9824529E-06 0 73 8 5 0.5806334E-06 0 77 8 6 0.1553724E-05 0 80 8 7 0.6203934E-06 0 83 8 8 0.2984813E-04 0 3 10 -10 0.7427784E-12 0 5 10 -9 0.2845461E-12 0 8 10 -8 0.2353359E-12 0 11 10 -7 0.1198373E-12 0 15 10 -6 0.2582288E-12 0 19 10 -5 0.7438822E-13 0 24 10 -4 0.1116863E-12 0 29 10 -3 0.1706420E-12 0 35 10 -2 0.9567039E-13 0 41 10 -1 0.2486866E-12 0 48 10 0 0.9878344E-12 0 54 10 1 0.2486866E-12 0 60 10 2 0.9567039E-13 0 65 10 3 0.1706420E-12 0 70 10 4 0.1116863E-12 0 74 10 5 0.7438822E-13 0 78 10 6 0.2582288E-12 0 81 10 7 0.1198373E-12 0 84 10 8 0.2353359E-12 0 86 10 9 0.2845461E-12 0 88 10 10 0.7427784E-12 0 1 12 -12 0.0000000E+00 0 2 12 -11 0.0000000E+00 0 4 12 -10 0.0000000E+00 0 6 12 -9 0.0000000E+00 0 9 12 -8 0.0000000E+00 0 12 12 -7 0.0000000E+00 0 16 12 -6 0.0000000E+00 0 20 12 -5 0.0000000E+00 0 25 12 -4 0.0000000E+00 0 30 12 -3 0.0000000E+00 0 36 12 -2 0.0000000E+00 0 42 12 -1 0.0000000E+00 0 49 12 0 0.0000000E+00 0 55 12 1 0.0000000E+00 0 61 12 2 0.0000000E+00 0 66 12 3 0.0000000E+00 0 71 12 4 0.0000000E+00 0 75 12 5 0.0000000E+00 0 79 12 6 0.0000000E+00 0 82 12 7 0.0000000E+00 0 85 12 8 0.0000000E+00 0 87 12 9 0.0000000E+00 0 89 12 10 0.0000000E+00 0 90 12 11 0.0000000E+00 0 91 12 12 0.0000000E+00 1 43 0 0 0.2356129E-02 1 31 2 -2 0.1098862E-03 1 37 2 -1 0.7661995E-05 1 44 2 0 0.6675746E-04 1 50 2 1 0.7661995E-05 1 56 2 2 0.1098862E-03 1 21 4 -4 0.2240173E-06 1 26 4 -3 0.4160004E-08 1 32 4 -2 0.4782539E-08 1 38 4 -1 0.1267267E-08 1 45 4 0 0.1869208E-07 1 51 4 1 0.1267267E-08 1 57 4 2 0.4782539E-08 1 62 4 3 0.4160004E-08 1 67 4 4 0.2240173E-06 1 13 6 -6 0.3355210E-09 1 17 6 -5 0.3434873E-11 1 22 6 -4 0.1836576E-11 1 27 6 -3 0.8745848E-12 1 33 6 -2 0.2488493E-12 1 39 6 -1 0.1386046E-12 1 46 6 0 0.1731387E-11 1 52 6 1 0.1386046E-12 1 58 6 2 0.2488493E-12 1 63 6 3 0.8745848E-12 1 68 6 4 0.1836576E-11 1 72 6 5 0.3434873E-11 1 76 6 6 0.3355210E-09 1 7 8 -8 0.0000000E+00 1 10 8 -7 0.0000000E+00 1 14 8 -6 0.0000000E+00 1 18 8 -5 0.0000000E+00 1 23 8 -4 0.0000000E+00 1 28 8 -3 0.0000000E+00 1 34 8 -2 0.0000000E+00 1 40 8 -1 0.0000000E+00 1 47 8 0 0.0000000E+00 1 53 8 1 0.0000000E+00 1 59 8 2 0.0000000E+00 1 64 8 3 0.0000000E+00 1 69 8 4 0.0000000E+00 1 73 8 5 0.0000000E+00 1 77 8 6 0.0000000E+00 1 80 8 7 0.0000000E+00 1 83 8 8 0.0000000E+00 1 3 10 -10 0.0000000E+00 1 5 10 -9 0.0000000E+00 1 8 10 -8 0.0000000E+00 1 11 10 -7 0.0000000E+00 1 15 10 -6 0.0000000E+00 1 19 10 -5 0.0000000E+00 1 24 10 -4 0.0000000E+00 1 29 10 -3 0.0000000E+00 1 35 10 -2 0.0000000E+00 1 41 10 -1 0.0000000E+00 1 48 10 0 0.0000000E+00 1 54 10 1 0.0000000E+00 1 60 10 2 0.0000000E+00 1 65 10 3 0.0000000E+00 1 70 10 4 0.0000000E+00 1 74 10 5 0.0000000E+00 1 78 10 6 0.0000000E+00 1 81 10 7 0.0000000E+00 1 84 10 8 0.0000000E+00 1 86 10 9 0.0000000E+00 1 88 10 10 0.0000000E+00 1 1 12 -12 0.0000000E+00 1 2 12 -11 0.0000000E+00 1 4 12 -10 0.0000000E+00 1 6 12 -9 0.0000000E+00 1 9 12 -8 0.0000000E+00 1 12 12 -7 0.0000000E+00 1 16 12 -6 0.0000000E+00 1 20 12 -5 0.0000000E+00 1 25 12 -4 0.0000000E+00 1 30 12 -3 0.0000000E+00 1 36 12 -2 0.0000000E+00 1 42 12 -1 0.0000000E+00 1 49 12 0 0.0000000E+00 1 55 12 1 0.0000000E+00 1 61 12 2 0.0000000E+00 1 66 12 3 0.0000000E+00 1 71 12 4 0.0000000E+00 1 75 12 5 0.0000000E+00 1 79 12 6 0.0000000E+00 1 82 12 7 0.0000000E+00 1 85 12 8 0.0000000E+00 1 87 12 9 0.0000000E+00 1 89 12 10 0.0000000E+00 1 90 12 11 0.0000000E+00 1 91 12 12 0.0000000E+00 2 43 0 0 0.0000000E+00 2 31 2 -2 0.0000000E+00 2 37 2 -1 0.0000000E+00 2 44 2 0 0.0000000E+00 2 50 2 1 0.0000000E+00 2 56 2 2 0.0000000E+00 2 21 4 -4 0.0000000E+00 2 26 4 -3 0.0000000E+00 2 32 4 -2 0.0000000E+00 2 38 4 -1 0.0000000E+00 2 45 4 0 0.0000000E+00 2 51 4 1 0.0000000E+00 2 57 4 2 0.0000000E+00 2 62 4 3 0.0000000E+00 2 67 4 4 0.0000000E+00 2 13 6 -6 0.0000000E+00 2 17 6 -5 0.0000000E+00 2 22 6 -4 0.0000000E+00 2 27 6 -3 0.0000000E+00 2 33 6 -2 0.0000000E+00 2 39 6 -1 0.0000000E+00 2 46 6 0 0.0000000E+00 2 52 6 1 0.0000000E+00 2 58 6 2 0.0000000E+00 2 63 6 3 0.0000000E+00 2 68 6 4 0.0000000E+00 2 72 6 5 0.0000000E+00 2 76 6 6 0.0000000E+00 2 7 8 -8 0.0000000E+00 2 10 8 -7 0.0000000E+00 2 14 8 -6 0.0000000E+00 2 18 8 -5 0.0000000E+00 2 23 8 -4 0.0000000E+00 2 28 8 -3 0.0000000E+00 2 34 8 -2 0.0000000E+00 2 40 8 -1 0.0000000E+00 2 47 8 0 0.0000000E+00 2 53 8 1 0.0000000E+00 2 59 8 2 0.0000000E+00 2 64 8 3 0.0000000E+00 2 69 8 4 0.0000000E+00 2 73 8 5 0.0000000E+00 2 77 8 6 0.0000000E+00 2 80 8 7 0.0000000E+00 2 83 8 8 0.0000000E+00 2 3 10 -10 0.0000000E+00 2 5 10 -9 0.0000000E+00 2 8 10 -8 0.0000000E+00 2 11 10 -7 0.0000000E+00 2 15 10 -6 0.0000000E+00 2 19 10 -5 0.0000000E+00 2 24 10 -4 0.0000000E+00 2 29 10 -3 0.0000000E+00 2 35 10 -2 0.0000000E+00 2 41 10 -1 0.0000000E+00 2 48 10 0 0.0000000E+00 2 54 10 1 0.0000000E+00 2 60 10 2 0.0000000E+00 2 65 10 3 0.0000000E+00 2 70 10 4 0.0000000E+00 2 74 10 5 0.0000000E+00 2 78 10 6 0.0000000E+00 2 81 10 7 0.0000000E+00 2 84 10 8 0.0000000E+00 2 86 10 9 0.0000000E+00 2 88 10 10 0.0000000E+00 2 1 12 -12 0.0000000E+00 2 2 12 -11 0.0000000E+00 2 4 12 -10 0.0000000E+00 2 6 12 -9 0.0000000E+00 2 9 12 -8 0.0000000E+00 2 12 12 -7 0.0000000E+00 2 16 12 -6 0.0000000E+00 2 20 12 -5 0.0000000E+00 2 25 12 -4 0.0000000E+00 2 30 12 -3 0.0000000E+00 2 36 12 -2 0.0000000E+00 2 42 12 -1 0.0000000E+00 2 49 12 0 0.0000000E+00 2 55 12 1 0.0000000E+00 2 61 12 2 0.0000000E+00 2 66 12 3 0.0000000E+00 2 71 12 4 0.0000000E+00 2 75 12 5 0.0000000E+00 2 79 12 6 0.0000000E+00 2 82 12 7 0.0000000E+00 2 85 12 8 0.0000000E+00 2 87 12 9 0.0000000E+00 2 89 12 10 0.0000000E+00 2 90 12 11 0.0000000E+00 2 91 12 12 0.0000000E+00 ************************************ probabilities as function of diffraction order ************************************ v, j, mj = 0 0 0 0 0.2321824E-02 1 0.3674116E-02 2 0.2226768E-02 3 0.2312733E-01 4 0.1755350E-01 5 0.1772984E-01 6 0.2457622E-01 7 0.1235929E-01 8 0.6977441E-03 9 0.3980925E-05 v, j, mj = 0 2 -2 0 0.1652869E-30 1 0.3729096E-03 2 0.1342045E-02 3 0.4858782E-02 4 0.1430625E-01 5 0.1312505E-01 6 0.3775364E-01 7 0.1085568E-01 8 0.3748274E-03 9 0.1130815E-05 v, j, mj = 0 2 -1 0 0.5190687E-32 1 0.1194779E-02 2 0.3788289E-03 3 0.1725047E-02 4 0.4408104E-02 5 0.6315962E-02 6 0.1591418E-02 7 0.3661896E-03 8 0.1502338E-04 9 0.1028971E-06 v, j, mj = 0 2 0 0 0.3474689E-02 1 0.2933253E-03 2 0.4697492E-02 3 0.3599336E-02 4 0.1013608E-01 5 0.6102256E-02 6 0.1689485E-01 7 0.3068720E-02 8 0.4033594E-04 9 0.3072946E-07 v, j, mj = 0 2 1 0 0.2723679E-32 1 0.1194779E-02 2 0.3788289E-03 3 0.1725047E-02 4 0.4408104E-02 5 0.6315962E-02 6 0.1591418E-02 7 0.3661896E-03 8 0.1502338E-04 9 0.1028971E-06 v, j, mj = 0 2 2 0 0.1376585E-30 1 0.3729096E-03 2 0.1342045E-02 3 0.4858782E-02 4 0.1430625E-01 5 0.1312505E-01 6 0.3775364E-01 7 0.1085568E-01 8 0.3748274E-03 9 0.1130815E-05 v, j, mj = 0 4 -4 0 0.2625806E-31 1 0.8561902E-03 2 0.1141194E-02 3 0.5844280E-02 4 0.4358878E-02 5 0.6046643E-02 6 0.3926290E-02 7 0.4910737E-03 8 0.8168223E-05 9 0.4769795E-08 v, j, mj = 0 4 -3 0 0.2942509E-33 1 0.3505957E-03 2 0.2904217E-02 3 0.3212873E-02 4 0.4923581E-02 5 0.2795497E-02 6 0.1001536E-02 7 0.1277557E-03 8 0.1162951E-05 9 0.9949262E-09 v, j, mj = 0 4 -2 0 0.4658724E-31 1 0.1089405E-02 2 0.1467101E-02 3 0.2352070E-02 4 0.2824418E-02 5 0.4490739E-02 6 0.2436128E-02 7 0.2132734E-03 8 0.4720186E-05 9 0.8108892E-08 v, j, mj = 0 4 -1 0 0.7745964E-33 1 0.1973539E-04 2 0.6423697E-03 3 0.1158252E-02 4 0.1787740E-02 5 0.4800705E-02 6 0.3764792E-02 7 0.5254131E-03 8 0.9081261E-05 9 0.7798889E-08 v, j, mj = 0 4 0 0 0.5724576E-03 1 0.4820256E-03 2 0.3091718E-02 3 0.2898201E-02 4 0.2787560E-02 5 0.2776443E-02 6 0.1941718E-02 7 0.2119592E-03 8 0.2269609E-05 9 0.1039832E-08 v, j, mj = 0 4 1 0 0.1031254E-32 1 0.1973539E-04 2 0.6423697E-03 3 0.1158252E-02 4 0.1787740E-02 5 0.4800705E-02 6 0.3764792E-02 7 0.5254131E-03 8 0.9081261E-05 9 0.7798889E-08 v, j, mj = 0 4 2 0 0.5835862E-31 1 0.1089405E-02 2 0.1467101E-02 3 0.2352070E-02 4 0.2824418E-02 5 0.4490739E-02 6 0.2436128E-02 7 0.2132734E-03 8 0.4720186E-05 9 0.8108892E-08 v, j, mj = 0 4 3 0 0.8147683E-33 1 0.3505957E-03 2 0.2904217E-02 3 0.3212873E-02 4 0.4923581E-02 5 0.2795497E-02 6 0.1001536E-02 7 0.1277557E-03 8 0.1162951E-05 9 0.9949262E-09 v, j, mj = 0 4 4 0 0.1329905E-31 1 0.8561902E-03 2 0.1141194E-02 3 0.5844280E-02 4 0.4358878E-02 5 0.6046643E-02 6 0.3926290E-02 7 0.4910737E-03 8 0.8168223E-05 9 0.4769795E-08 v, j, mj = 0 6 -6 0 0.1083440E-02 1 0.7875363E-03 2 0.3299684E-02 3 0.4605050E-03 4 0.6459155E-03 5 0.9244943E-04 6 0.5492203E-05 7 0.1128939E-06 8 0.9077495E-10 9 0.7484607E-12 v, j, mj = 0 6 -5 0 0.6647205E-34 1 0.5634440E-04 2 0.4604427E-03 3 0.3829704E-03 4 0.2715547E-03 5 0.6015121E-04 6 0.1070204E-04 7 0.2337064E-06 8 0.1189169E-09 9 0.1590560E-12 v, j, mj = 0 6 -4 0 0.6377251E-32 1 0.2313796E-03 2 0.3442574E-03 3 0.3526070E-03 4 0.2523583E-03 5 0.1834080E-03 6 0.4581139E-04 7 0.1265573E-05 8 0.7622069E-09 9 0.1409165E-12 v, j, mj = 0 6 -3 0 0.3474087E-33 1 0.6399645E-04 2 0.5788884E-04 3 0.2134095E-03 4 0.3316140E-03 5 0.6074833E-03 6 0.1585633E-03 7 0.3228973E-05 8 0.1587724E-08 9 0.7090545E-13 v, j, mj = 0 6 -2 0 0.6043433E-34 1 0.1190047E-03 2 0.1244062E-03 3 0.4278191E-03 4 0.3263735E-03 5 0.8099509E-03 6 0.1870900E-03 7 0.3460231E-05 8 0.1722507E-08 9 0.2859398E-12 v, j, mj = 0 6 -1 0 0.3606119E-33 1 0.1964179E-05 2 0.4194965E-03 3 0.4462556E-03 4 0.4124662E-03 5 0.8412162E-03 6 0.2033306E-03 7 0.3652099E-05 8 0.1711779E-08 9 0.9836860E-12 v, j, mj = 0 6 0 0 0.1796964E-04 1 0.1240219E-03 2 0.8480957E-03 3 0.9719020E-03 4 0.4484381E-03 5 0.3122175E-03 6 0.1103931E-03 7 0.2418537E-05 8 0.1201791E-08 9 0.9019556E-12 v, j, mj = 0 6 1 0 0.2470368E-33 1 0.1964179E-05 2 0.4194965E-03 3 0.4462556E-03 4 0.4124662E-03 5 0.8412162E-03 6 0.2033306E-03 7 0.3652099E-05 8 0.1711779E-08 9 0.9836860E-12 v, j, mj = 0 6 2 0 0.2181410E-32 1 0.1190047E-03 2 0.1244062E-03 3 0.4278191E-03 4 0.3263735E-03 5 0.8099509E-03 6 0.1870900E-03 7 0.3460231E-05 8 0.1722507E-08 9 0.2859398E-12 v, j, mj = 0 6 3 0 0.1403615E-33 1 0.6399645E-04 2 0.5788884E-04 3 0.2134095E-03 4 0.3316140E-03 5 0.6074833E-03 6 0.1585633E-03 7 0.3228973E-05 8 0.1587724E-08 9 0.7090545E-13 v, j, mj = 0 6 4 0 0.4705132E-32 1 0.2313796E-03 2 0.3442574E-03 3 0.3526070E-03 4 0.2523583E-03 5 0.1834080E-03 6 0.4581139E-04 7 0.1265573E-05 8 0.7622069E-09 9 0.1409165E-12 v, j, mj = 0 6 5 0 0.2122446E-33 1 0.5634440E-04 2 0.4604427E-03 3 0.3829704E-03 4 0.2715547E-03 5 0.6015121E-04 6 0.1070204E-04 7 0.2337064E-06 8 0.1189169E-09 9 0.1590560E-12 v, j, mj = 0 6 6 0 0.1083440E-02 1 0.7875363E-03 2 0.3299684E-02 3 0.4605050E-03 4 0.6459155E-03 5 0.9244943E-04 6 0.5492203E-05 7 0.1128939E-06 8 0.9077495E-10 9 0.7484607E-12 v, j, mj = 0 8 -8 0 0.6010631E-33 1 0.1873503E-04 2 0.9093740E-05 3 0.1933683E-05 4 0.8486901E-07 5 0.8122601E-09 6 0.1911137E-11 7 0.2878090E-12 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -7 0 0.2249003E-34 1 0.2226562E-07 2 0.4143169E-06 3 0.1482228E-06 4 0.3475655E-07 5 0.8303265E-09 6 0.1139498E-11 7 0.4753476E-13 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -6 0 0.3825350E-06 1 0.3813047E-06 2 0.4140764E-06 3 0.3190055E-06 4 0.5567310E-07 5 0.1125534E-08 6 0.3778025E-11 7 0.2099178E-12 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -5 0 0.6502715E-35 1 0.2860972E-07 2 0.1642661E-06 3 0.2706857E-06 4 0.1080926E-06 5 0.8955290E-08 6 0.2336851E-10 7 0.7342405E-12 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -4 0 0.2054037E-34 1 0.2751172E-06 2 0.1298774E-06 3 0.1659835E-06 4 0.3716417E-06 5 0.3972363E-07 6 0.1088424E-09 7 0.6599446E-12 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -3 0 0.6869133E-34 1 0.2171493E-06 2 0.2274980E-06 3 0.4293799E-06 4 0.1014047E-05 5 0.9251480E-07 6 0.2196841E-09 7 0.9085722E-12 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -2 0 0.4812047E-33 1 0.4009829E-06 2 0.1494711E-05 3 0.8551324E-06 4 0.1148500E-05 5 0.9667029E-07 6 0.2045686E-09 7 0.7737844E-12 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -1 0 0.8958697E-35 1 0.3433025E-06 2 0.2844108E-05 3 0.1148035E-05 4 0.4800425E-06 5 0.4147069E-07 6 0.8691218E-10 7 0.7027661E-12 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 0 0 0.1757625E-05 1 0.3309105E-06 2 0.3278499E-05 3 0.8318164E-06 4 0.1734340E-06 5 0.2215102E-07 6 0.6078423E-10 7 0.4571783E-12 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 1 0 0.5625373E-34 1 0.3433025E-06 2 0.2844108E-05 3 0.1148035E-05 4 0.4800425E-06 5 0.4147069E-07 6 0.8691218E-10 7 0.7027661E-12 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 2 0 0.1039778E-33 1 0.4009829E-06 2 0.1494711E-05 3 0.8551324E-06 4 0.1148500E-05 5 0.9667029E-07 6 0.2045686E-09 7 0.7737844E-12 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 3 0 0.7067468E-35 1 0.2171493E-06 2 0.2274980E-06 3 0.4293799E-06 4 0.1014047E-05 5 0.9251480E-07 6 0.2196841E-09 7 0.9085722E-12 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 4 0 0.6305903E-34 1 0.2751172E-06 2 0.1298774E-06 3 0.1659835E-06 4 0.3716417E-06 5 0.3972363E-07 6 0.1088424E-09 7 0.6599446E-12 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 5 0 0.1366887E-34 1 0.2860972E-07 2 0.1642661E-06 3 0.2706857E-06 4 0.1080926E-06 5 0.8955290E-08 6 0.2336851E-10 7 0.7342405E-12 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 6 0 0.3825350E-06 1 0.3813047E-06 2 0.4140764E-06 3 0.3190055E-06 4 0.5567310E-07 5 0.1125534E-08 6 0.3778025E-11 7 0.2099178E-12 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 7 0 0.2671461E-34 1 0.2226562E-07 2 0.4143169E-06 3 0.1482228E-06 4 0.3475655E-07 5 0.8303265E-09 6 0.1139498E-11 7 0.4753476E-13 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 8 0 0.2954001E-34 1 0.1873503E-04 2 0.9093740E-05 3 0.1933683E-05 4 0.8486901E-07 5 0.8122601E-09 6 0.1911137E-11 7 0.2878090E-12 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 -10 0 0.4286512E-33 1 0.1426135E-12 2 0.1584672E-12 3 0.3257937E-12 4 0.1159040E-12 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 -9 0 0.2835626E-34 1 0.1094635E-12 2 0.1253933E-12 3 0.3626252E-13 4 0.1342681E-13 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 -8 0 0.1025497E-34 1 0.5170525E-13 2 0.9264292E-13 3 0.7828387E-13 4 0.1270389E-13 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 -7 0 0.6020843E-35 1 0.5280214E-14 2 0.4905839E-13 3 0.6197770E-13 4 0.3520973E-14 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 -6 0 0.1267279E-13 1 0.1251362E-13 2 0.1346615E-12 3 0.8955568E-13 4 0.8825117E-14 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 -5 0 0.1419271E-34 1 0.1274182E-13 2 0.4874606E-13 3 0.1113848E-13 4 0.1761856E-14 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 -4 0 0.3886298E-34 1 0.1012877E-13 2 0.2503002E-13 3 0.5806419E-13 4 0.1846333E-13 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 -3 0 0.2007402E-34 1 0.1687701E-13 2 0.5009446E-13 3 0.8426597E-13 4 0.1940459E-13 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 -2 0 0.5005008E-34 1 0.3205756E-13 2 0.3647222E-13 3 0.2244511E-13 4 0.4695507E-14 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 -1 0 0.2741466E-34 1 0.1649387E-12 2 0.2333586E-13 3 0.4533203E-13 4 0.1508003E-13 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 0 0 0.1877812E-13 1 0.1801962E-12 2 0.3786154E-12 3 0.2820577E-12 4 0.1281870E-12 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 1 0 0.2481619E-34 1 0.1649387E-12 2 0.2333586E-13 3 0.4533203E-13 4 0.1508003E-13 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 2 0 0.4192864E-34 1 0.3205756E-13 2 0.3647222E-13 3 0.2244511E-13 4 0.4695507E-14 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 3 0 0.5977883E-34 1 0.1687701E-13 2 0.5009446E-13 3 0.8426597E-13 4 0.1940459E-13 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 4 0 0.6143703E-35 1 0.1012877E-13 2 0.2503002E-13 3 0.5806419E-13 4 0.1846333E-13 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 5 0 0.1027612E-34 1 0.1274182E-13 2 0.4874606E-13 3 0.1113848E-13 4 0.1761856E-14 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 6 0 0.1267279E-13 1 0.1251362E-13 2 0.1346615E-12 3 0.8955568E-13 4 0.8825117E-14 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 7 0 0.1887913E-34 1 0.5280214E-14 2 0.4905839E-13 3 0.6197770E-13 4 0.3520973E-14 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 8 0 0.2677777E-35 1 0.5170525E-13 2 0.9264292E-13 3 0.7828387E-13 4 0.1270389E-13 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 9 0 0.1070030E-34 1 0.1094635E-12 2 0.1253933E-12 3 0.3626252E-13 4 0.1342681E-13 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 10 0 0.1629232E-33 1 0.1426135E-12 2 0.1584672E-12 3 0.3257937E-12 4 0.1159040E-12 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 0 0 0 0.7580455E-03 1 0.6656758E-03 2 0.8969201E-03 3 0.1549837E-04 4 0.1988639E-04 5 0.1032818E-06 6 0.8811138E-10 7 0.1326400E-10 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 2 -2 0 0.1156986E-31 1 0.4735657E-04 2 0.3927371E-04 3 0.2267325E-04 4 0.5781399E-06 5 0.4536654E-08 6 0.3884298E-10 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 2 -1 0 0.6443760E-33 1 0.1007019E-06 2 0.6910326E-05 3 0.5902139E-06 4 0.6014397E-07 5 0.6076573E-09 6 0.1374392E-11 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 2 0 0 0.1487040E-04 1 0.1710701E-04 2 0.3348514E-04 3 0.9416406E-06 4 0.3525333E-06 5 0.7297684E-09 6 0.1504578E-10 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 2 1 0 0.1282826E-32 1 0.1007019E-06 2 0.6910326E-05 3 0.5902139E-06 4 0.6014397E-07 5 0.6076573E-09 6 0.1374392E-11 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 2 2 0 0.1722716E-32 1 0.4735657E-04 2 0.3927371E-04 3 0.2267325E-04 4 0.5781399E-06 5 0.4536654E-08 6 0.3884298E-10 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 -4 0 0.3770555E-33 1 0.1669781E-06 2 0.5155962E-07 3 0.5415212E-08 4 0.4637019E-10 5 0.1803416E-10 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 -3 0 0.6529304E-33 1 0.3066823E-08 2 0.9436912E-09 3 0.1417745E-09 4 0.3031800E-11 5 0.4683172E-11 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 -2 0 0.2446226E-33 1 0.3007671E-08 2 0.1721688E-08 3 0.3631838E-10 4 0.1320075E-10 5 0.3661975E-11 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 -1 0 0.2436951E-33 1 0.2850262E-10 2 0.1069058E-08 3 0.1560064E-09 4 0.1301346E-10 5 0.6865962E-12 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 0 0 0.1115678E-08 1 0.1068800E-07 2 0.6634826E-08 3 0.2460645E-09 4 0.6401493E-11 5 0.1109199E-11 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 1 0 0.6771701E-33 1 0.2850262E-10 2 0.1069058E-08 3 0.1560064E-09 4 0.1301346E-10 5 0.6865962E-12 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 2 0 0.1357785E-32 1 0.3007671E-08 2 0.1721688E-08 3 0.3631838E-10 4 0.1320075E-10 5 0.3661975E-11 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 3 0 0.9763486E-34 1 0.3066823E-08 2 0.9436912E-09 3 0.1417745E-09 4 0.3031800E-11 5 0.4683172E-11 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 4 0 0.2084469E-33 1 0.1669781E-06 2 0.5155962E-07 3 0.5415212E-08 4 0.4637019E-10 5 0.1803416E-10 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 6 -6 0 0.6545379E-10 1 0.8125363E-10 2 0.1888135E-09 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 6 -5 0 0.2194940E-34 1 0.6810197E-12 2 0.2753853E-11 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 6 -4 0 0.2921635E-34 1 0.9106720E-12 2 0.9259040E-12 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 6 -3 0 0.3897920E-34 1 0.3162779E-13 2 0.8429570E-12 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 6 -2 0 0.7719804E-34 1 0.4388977E-13 2 0.2049596E-12 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 6 -1 0 0.4948549E-34 1 0.3093472E-13 2 0.1076699E-12 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 6 0 0 0.4023307E-13 1 0.9961020E-14 2 0.1681193E-11 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 6 1 0 0.7393736E-35 1 0.3093472E-13 2 0.1076699E-12 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 6 2 0 0.1362505E-33 1 0.4388977E-13 2 0.2049596E-12 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 6 3 0 0.3594991E-34 1 0.3162779E-13 2 0.8429570E-12 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 6 4 0 0.2860888E-34 1 0.9106720E-12 2 0.9259040E-12 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 6 5 0 0.1779121E-34 1 0.6810197E-12 2 0.2753853E-11 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 6 6 0 0.6545379E-10 1 0.8125363E-10 2 0.1888135E-09 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 sum of the probabilities = 0.5316372 average vibrational energy (ev) = 0.002569 average rotational energy (ev) = 0.079125 average diffraction energy (ev) = 0.158163 the reaction probability = 0.4683628D+00 $$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$ total energy = -0.35056010D+01 trans energy = 0.97142857D+00 trans energy in z = 0.97142857D+00 total momentum = 0.16196732D+02 $$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$ ************************************ rotation-diffraction summed probabilities ************************************ v probability av edif av erot 0 0.3708126E+00 0.1971782E+00 0.1070165E+00 1 0.5960651E-02 0.6004484E-01 0.3488995E-01 2 0.0000000E+00 0.0000000E+00 0.0000000E+00 ************************************ diffraction summed probabilities ************************************ v irot j m probability 0 43 0 0 0.4355625E-01 0 31 2 -2 0.4989399E-01 0 37 2 -1 0.1501838E-01 0 44 2 0 0.3881505E-01 0 50 2 1 0.1501838E-01 0 56 2 2 0.4989399E-01 0 21 4 -4 0.1594426E-01 0 26 4 -3 0.1159537E-01 0 32 4 -2 0.1082708E-01 0 38 4 -1 0.8847406E-02 0 45 4 0 0.9084243E-02 0 51 4 1 0.8847406E-02 0 57 4 2 0.1082708E-01 0 62 4 3 0.1159537E-01 0 67 4 4 0.1594426E-01 0 13 6 -6 0.4007683E-02 0 17 6 -5 0.4568697E-02 0 22 6 -4 0.3203281E-02 0 27 6 -3 0.3633710E-02 0 33 6 -2 0.3765489E-02 0 39 6 -1 0.4413423E-02 0 46 6 0 0.5621180E-02 0 52 6 1 0.4413423E-02 0 58 6 2 0.3765489E-02 0 63 6 3 0.3633710E-02 0 68 6 4 0.3203281E-02 0 72 6 5 0.4568697E-02 0 76 6 6 0.4007683E-02 0 7 8 -8 0.6769147E-03 0 10 8 -7 0.9089858E-04 0 14 8 -6 0.8484725E-04 0 18 8 -5 0.2192039E-04 0 23 8 -4 0.2561336E-04 0 28 8 -3 0.4566866E-04 0 34 8 -2 0.6519377E-04 0 40 8 -1 0.8359438E-04 0 47 8 0 0.1090247E-03 0 53 8 1 0.8359438E-04 0 59 8 2 0.6519377E-04 0 64 8 3 0.4566866E-04 0 69 8 4 0.2561336E-04 0 73 8 5 0.2192039E-04 0 77 8 6 0.8484725E-04 0 80 8 7 0.9089858E-04 0 83 8 8 0.6769147E-03 0 3 10 -10 0.1517607E-07 0 5 10 -9 0.3521242E-09 0 8 10 -8 0.4934454E-09 0 11 10 -7 0.4999643E-10 0 15 10 -6 0.1896469E-09 0 19 10 -5 0.4971819E-10 0 24 10 -4 0.1421410E-09 0 29 10 -3 0.3847741E-09 0 35 10 -2 0.8012106E-09 0 41 10 -1 0.1311474E-08 0 48 10 0 0.1961754E-08 0 54 10 1 0.1311474E-08 0 60 10 2 0.8012106E-09 0 65 10 3 0.3847741E-09 0 70 10 4 0.1421410E-09 0 74 10 5 0.4971819E-10 0 78 10 6 0.1896469E-09 0 81 10 7 0.4999643E-10 0 84 10 8 0.4934454E-09 0 86 10 9 0.3521242E-09 0 88 10 10 0.1517607E-07 0 1 12 -12 0.0000000E+00 0 2 12 -11 0.0000000E+00 0 4 12 -10 0.0000000E+00 0 6 12 -9 0.0000000E+00 0 9 12 -8 0.0000000E+00 0 12 12 -7 0.0000000E+00 0 16 12 -6 0.0000000E+00 0 20 12 -5 0.0000000E+00 0 25 12 -4 0.0000000E+00 0 30 12 -3 0.0000000E+00 0 36 12 -2 0.0000000E+00 0 42 12 -1 0.0000000E+00 0 49 12 0 0.0000000E+00 0 55 12 1 0.0000000E+00 0 61 12 2 0.0000000E+00 0 66 12 3 0.0000000E+00 0 71 12 4 0.0000000E+00 0 75 12 5 0.0000000E+00 0 79 12 6 0.0000000E+00 0 82 12 7 0.0000000E+00 0 85 12 8 0.0000000E+00 0 87 12 9 0.0000000E+00 0 89 12 10 0.0000000E+00 0 90 12 11 0.0000000E+00 0 91 12 12 0.0000000E+00 1 43 0 0 0.2734063E-02 1 31 2 -2 0.9619482E-03 1 37 2 -1 0.1280692E-03 1 44 2 0 0.4085687E-03 1 50 2 1 0.1280692E-03 1 56 2 2 0.9619482E-03 1 21 4 -4 0.2070778E-03 1 26 4 -3 0.5030687E-04 1 32 4 -2 0.4339137E-04 1 38 4 -1 0.3159182E-05 1 45 4 0 0.2953268E-04 1 51 4 1 0.3159182E-05 1 57 4 2 0.4339137E-04 1 62 4 3 0.5030687E-04 1 67 4 4 0.2070778E-03 1 13 6 -6 0.2862026E-06 1 17 6 -5 0.1749553E-08 1 22 6 -4 0.1747128E-08 1 27 6 -3 0.3758180E-09 1 33 6 -2 0.9317530E-10 1 39 6 -1 0.1210095E-09 1 46 6 0 0.4831378E-09 1 52 6 1 0.1210095E-09 1 58 6 2 0.9317530E-10 1 63 6 3 0.3758180E-09 1 68 6 4 0.1747128E-08 1 72 6 5 0.1749553E-08 1 76 6 6 0.2862026E-06 1 7 8 -8 0.0000000E+00 1 10 8 -7 0.0000000E+00 1 14 8 -6 0.0000000E+00 1 18 8 -5 0.0000000E+00 1 23 8 -4 0.0000000E+00 1 28 8 -3 0.0000000E+00 1 34 8 -2 0.0000000E+00 1 40 8 -1 0.0000000E+00 1 47 8 0 0.0000000E+00 1 53 8 1 0.0000000E+00 1 59 8 2 0.0000000E+00 1 64 8 3 0.0000000E+00 1 69 8 4 0.0000000E+00 1 73 8 5 0.0000000E+00 1 77 8 6 0.0000000E+00 1 80 8 7 0.0000000E+00 1 83 8 8 0.0000000E+00 1 3 10 -10 0.0000000E+00 1 5 10 -9 0.0000000E+00 1 8 10 -8 0.0000000E+00 1 11 10 -7 0.0000000E+00 1 15 10 -6 0.0000000E+00 1 19 10 -5 0.0000000E+00 1 24 10 -4 0.0000000E+00 1 29 10 -3 0.0000000E+00 1 35 10 -2 0.0000000E+00 1 41 10 -1 0.0000000E+00 1 48 10 0 0.0000000E+00 1 54 10 1 0.0000000E+00 1 60 10 2 0.0000000E+00 1 65 10 3 0.0000000E+00 1 70 10 4 0.0000000E+00 1 74 10 5 0.0000000E+00 1 78 10 6 0.0000000E+00 1 81 10 7 0.0000000E+00 1 84 10 8 0.0000000E+00 1 86 10 9 0.0000000E+00 1 88 10 10 0.0000000E+00 1 1 12 -12 0.0000000E+00 1 2 12 -11 0.0000000E+00 1 4 12 -10 0.0000000E+00 1 6 12 -9 0.0000000E+00 1 9 12 -8 0.0000000E+00 1 12 12 -7 0.0000000E+00 1 16 12 -6 0.0000000E+00 1 20 12 -5 0.0000000E+00 1 25 12 -4 0.0000000E+00 1 30 12 -3 0.0000000E+00 1 36 12 -2 0.0000000E+00 1 42 12 -1 0.0000000E+00 1 49 12 0 0.0000000E+00 1 55 12 1 0.0000000E+00 1 61 12 2 0.0000000E+00 1 66 12 3 0.0000000E+00 1 71 12 4 0.0000000E+00 1 75 12 5 0.0000000E+00 1 79 12 6 0.0000000E+00 1 82 12 7 0.0000000E+00 1 85 12 8 0.0000000E+00 1 87 12 9 0.0000000E+00 1 89 12 10 0.0000000E+00 1 90 12 11 0.0000000E+00 1 91 12 12 0.0000000E+00 2 43 0 0 0.0000000E+00 2 31 2 -2 0.0000000E+00 2 37 2 -1 0.0000000E+00 2 44 2 0 0.0000000E+00 2 50 2 1 0.0000000E+00 2 56 2 2 0.0000000E+00 2 21 4 -4 0.0000000E+00 2 26 4 -3 0.0000000E+00 2 32 4 -2 0.0000000E+00 2 38 4 -1 0.0000000E+00 2 45 4 0 0.0000000E+00 2 51 4 1 0.0000000E+00 2 57 4 2 0.0000000E+00 2 62 4 3 0.0000000E+00 2 67 4 4 0.0000000E+00 2 13 6 -6 0.0000000E+00 2 17 6 -5 0.0000000E+00 2 22 6 -4 0.0000000E+00 2 27 6 -3 0.0000000E+00 2 33 6 -2 0.0000000E+00 2 39 6 -1 0.0000000E+00 2 46 6 0 0.0000000E+00 2 52 6 1 0.0000000E+00 2 58 6 2 0.0000000E+00 2 63 6 3 0.0000000E+00 2 68 6 4 0.0000000E+00 2 72 6 5 0.0000000E+00 2 76 6 6 0.0000000E+00 2 7 8 -8 0.0000000E+00 2 10 8 -7 0.0000000E+00 2 14 8 -6 0.0000000E+00 2 18 8 -5 0.0000000E+00 2 23 8 -4 0.0000000E+00 2 28 8 -3 0.0000000E+00 2 34 8 -2 0.0000000E+00 2 40 8 -1 0.0000000E+00 2 47 8 0 0.0000000E+00 2 53 8 1 0.0000000E+00 2 59 8 2 0.0000000E+00 2 64 8 3 0.0000000E+00 2 69 8 4 0.0000000E+00 2 73 8 5 0.0000000E+00 2 77 8 6 0.0000000E+00 2 80 8 7 0.0000000E+00 2 83 8 8 0.0000000E+00 2 3 10 -10 0.0000000E+00 2 5 10 -9 0.0000000E+00 2 8 10 -8 0.0000000E+00 2 11 10 -7 0.0000000E+00 2 15 10 -6 0.0000000E+00 2 19 10 -5 0.0000000E+00 2 24 10 -4 0.0000000E+00 2 29 10 -3 0.0000000E+00 2 35 10 -2 0.0000000E+00 2 41 10 -1 0.0000000E+00 2 48 10 0 0.0000000E+00 2 54 10 1 0.0000000E+00 2 60 10 2 0.0000000E+00 2 65 10 3 0.0000000E+00 2 70 10 4 0.0000000E+00 2 74 10 5 0.0000000E+00 2 78 10 6 0.0000000E+00 2 81 10 7 0.0000000E+00 2 84 10 8 0.0000000E+00 2 86 10 9 0.0000000E+00 2 88 10 10 0.0000000E+00 2 1 12 -12 0.0000000E+00 2 2 12 -11 0.0000000E+00 2 4 12 -10 0.0000000E+00 2 6 12 -9 0.0000000E+00 2 9 12 -8 0.0000000E+00 2 12 12 -7 0.0000000E+00 2 16 12 -6 0.0000000E+00 2 20 12 -5 0.0000000E+00 2 25 12 -4 0.0000000E+00 2 30 12 -3 0.0000000E+00 2 36 12 -2 0.0000000E+00 2 42 12 -1 0.0000000E+00 2 49 12 0 0.0000000E+00 2 55 12 1 0.0000000E+00 2 61 12 2 0.0000000E+00 2 66 12 3 0.0000000E+00 2 71 12 4 0.0000000E+00 2 75 12 5 0.0000000E+00 2 79 12 6 0.0000000E+00 2 82 12 7 0.0000000E+00 2 85 12 8 0.0000000E+00 2 87 12 9 0.0000000E+00 2 89 12 10 0.0000000E+00 2 90 12 11 0.0000000E+00 2 91 12 12 0.0000000E+00 ************************************ probabilities as function of diffraction order ************************************ v, j, mj = 0 0 0 0 0.1660469E-02 1 0.7606887E-03 2 0.3572062E-02 3 0.2817777E-02 4 0.8532053E-02 5 0.9652422E-02 6 0.6248612E-02 7 0.8217224E-02 8 0.2039780E-02 9 0.5515903E-04 v, j, mj = 0 2 -2 0 0.1944197E-31 1 0.7423362E-03 2 0.4042482E-03 3 0.1649477E-02 4 0.3304803E-02 5 0.6639205E-02 6 0.1374139E-01 7 0.2032952E-01 8 0.3032424E-02 9 0.5057467E-04 v, j, mj = 0 2 -1 0 0.1662955E-32 1 0.7216989E-03 2 0.1873272E-02 3 0.8346573E-03 4 0.1544083E-02 5 0.5050398E-02 6 0.3633155E-02 7 0.1082889E-02 8 0.2701546E-03 9 0.8072684E-05 v, j, mj = 0 2 0 0 0.2391990E-04 1 0.1871562E-02 2 0.1220164E-02 3 0.2340251E-02 4 0.4865009E-02 5 0.4781449E-02 6 0.9203866E-02 7 0.1290187E-01 8 0.1588066E-02 9 0.1889030E-04 v, j, mj = 0 2 1 0 0.1921060E-32 1 0.7216989E-03 2 0.1873272E-02 3 0.8346573E-03 4 0.1544083E-02 5 0.5050398E-02 6 0.3633155E-02 7 0.1082889E-02 8 0.2701546E-03 9 0.8072684E-05 v, j, mj = 0 2 2 0 0.3026538E-31 1 0.7423362E-03 2 0.4042482E-03 3 0.1649477E-02 4 0.3304803E-02 5 0.6639205E-02 6 0.1374139E-01 7 0.2032952E-01 8 0.3032424E-02 9 0.5057467E-04 v, j, mj = 0 4 -4 0 0.8326030E-32 1 0.6120084E-06 2 0.3483157E-03 3 0.1528057E-02 4 0.1097555E-02 5 0.2400446E-02 6 0.6612318E-02 7 0.3676356E-02 8 0.2787519E-03 9 0.1850138E-05 v, j, mj = 0 4 -3 0 0.1447818E-32 1 0.3772329E-03 2 0.7593623E-03 3 0.1233535E-02 4 0.3028955E-02 5 0.4578787E-02 6 0.1177162E-02 7 0.4240933E-03 8 0.1622265E-04 9 0.2035983E-07 v, j, mj = 0 4 -2 0 0.4822962E-31 1 0.2994930E-03 2 0.5341768E-03 3 0.1999402E-02 4 0.1564396E-02 5 0.2250748E-02 6 0.3466441E-02 7 0.6867922E-03 8 0.2514388E-04 9 0.4868960E-06 v, j, mj = 0 4 -1 0 0.3718817E-32 1 0.4872044E-05 2 0.1501321E-03 3 0.5448389E-03 4 0.9609834E-03 5 0.2381587E-02 6 0.3496902E-02 7 0.1220094E-02 8 0.8731137E-04 9 0.6848794E-06 v, j, mj = 0 4 0 0 0.2915108E-03 1 0.7165191E-03 2 0.2120291E-02 3 0.1477284E-02 4 0.2133139E-02 5 0.8218920E-03 6 0.1117826E-02 7 0.3827036E-03 8 0.2291989E-04 9 0.1588604E-06 v, j, mj = 0 4 1 0 0.2187180E-32 1 0.4872044E-05 2 0.1501321E-03 3 0.5448389E-03 4 0.9609834E-03 5 0.2381587E-02 6 0.3496902E-02 7 0.1220094E-02 8 0.8731137E-04 9 0.6848794E-06 v, j, mj = 0 4 2 0 0.3635556E-31 1 0.2994930E-03 2 0.5341768E-03 3 0.1999402E-02 4 0.1564396E-02 5 0.2250748E-02 6 0.3466441E-02 7 0.6867922E-03 8 0.2514388E-04 9 0.4868960E-06 v, j, mj = 0 4 3 0 0.1508422E-32 1 0.3772329E-03 2 0.7593623E-03 3 0.1233535E-02 4 0.3028955E-02 5 0.4578787E-02 6 0.1177162E-02 7 0.4240933E-03 8 0.1622265E-04 9 0.2035983E-07 v, j, mj = 0 4 4 0 0.2900804E-32 1 0.6120084E-06 2 0.3483157E-03 3 0.1528057E-02 4 0.1097555E-02 5 0.2400446E-02 6 0.6612318E-02 7 0.3676356E-02 8 0.2787519E-03 9 0.1850138E-05 v, j, mj = 0 6 -6 0 0.2577231E-03 1 0.1763638E-03 2 0.1181052E-02 3 0.4448419E-03 4 0.1109441E-02 5 0.6408612E-03 6 0.1827251E-03 7 0.1450673E-04 8 0.1677952E-06 9 0.2796849E-10 v, j, mj = 0 6 -5 0 0.1482669E-33 1 0.2075937E-03 2 0.1398165E-02 3 0.1190793E-02 4 0.1305326E-02 5 0.3593712E-03 6 0.9582781E-04 7 0.1147409E-04 8 0.1462662E-06 9 0.5120582E-10 v, j, mj = 0 6 -4 0 0.9549913E-32 1 0.3752434E-03 2 0.3622625E-03 3 0.1018918E-02 4 0.5326884E-03 5 0.5839102E-03 6 0.2790163E-03 7 0.5038587E-04 8 0.8563401E-06 9 0.2713288E-09 v, j, mj = 0 6 -3 0 0.6484499E-33 1 0.1760719E-03 2 0.1582935E-03 3 0.4672847E-03 4 0.7410365E-03 5 0.9269177E-03 6 0.1013008E-02 7 0.1493300E-03 8 0.1767583E-05 9 0.4352193E-09 v, j, mj = 0 6 -2 0 0.1354720E-32 1 0.4790685E-04 2 0.8419385E-04 3 0.8274024E-03 4 0.5680177E-03 5 0.9276803E-03 6 0.1147476E-02 7 0.1609303E-03 8 0.1881574E-05 9 0.5231618E-09 v, j, mj = 0 6 -1 0 0.8631268E-33 1 0.7023563E-05 2 0.4563571E-03 3 0.4695248E-03 4 0.1371061E-02 5 0.6661044E-03 6 0.1258401E-02 7 0.1828696E-03 8 0.2081075E-05 9 0.5632629E-09 v, j, mj = 0 6 0 0 0.4908838E-04 1 0.1719222E-03 2 0.1522554E-02 3 0.7676990E-03 4 0.1847135E-02 5 0.5393422E-03 6 0.5997214E-03 7 0.1221580E-03 8 0.1559609E-05 9 0.4270083E-09 v, j, mj = 0 6 1 0 0.2442702E-32 1 0.7023563E-05 2 0.4563571E-03 3 0.4695248E-03 4 0.1371061E-02 5 0.6661044E-03 6 0.1258401E-02 7 0.1828696E-03 8 0.2081075E-05 9 0.5632629E-09 v, j, mj = 0 6 2 0 0.1467438E-32 1 0.4790685E-04 2 0.8419385E-04 3 0.8274024E-03 4 0.5680177E-03 5 0.9276803E-03 6 0.1147476E-02 7 0.1609303E-03 8 0.1881574E-05 9 0.5231618E-09 v, j, mj = 0 6 3 0 0.2492853E-33 1 0.1760719E-03 2 0.1582935E-03 3 0.4672847E-03 4 0.7410365E-03 5 0.9269177E-03 6 0.1013008E-02 7 0.1493300E-03 8 0.1767583E-05 9 0.4352193E-09 v, j, mj = 0 6 4 0 0.1261906E-31 1 0.3752434E-03 2 0.3622625E-03 3 0.1018918E-02 4 0.5326884E-03 5 0.5839102E-03 6 0.2790163E-03 7 0.5038587E-04 8 0.8563401E-06 9 0.2713288E-09 v, j, mj = 0 6 5 0 0.8337424E-35 1 0.2075937E-03 2 0.1398165E-02 3 0.1190793E-02 4 0.1305326E-02 5 0.3593712E-03 6 0.9582781E-04 7 0.1147409E-04 8 0.1462662E-06 9 0.5120582E-10 v, j, mj = 0 6 6 0 0.2577231E-03 1 0.1763638E-03 2 0.1181052E-02 3 0.4448419E-03 4 0.1109441E-02 5 0.6408612E-03 6 0.1827251E-03 7 0.1450673E-04 8 0.1677952E-06 9 0.2796849E-10 v, j, mj = 0 8 -8 0 0.5064140E-32 1 0.2974131E-03 2 0.2139456E-03 3 0.1553748E-03 4 0.9297334E-05 5 0.8717127E-06 6 0.1214619E-07 7 0.8766573E-11 8 0.3486248E-12 9 0.0000000E+00 v, j, mj = 0 8 -7 0 0.2131198E-33 1 0.1400325E-04 2 0.5609572E-04 3 0.1639388E-04 4 0.4136091E-05 5 0.2620201E-06 6 0.7604147E-08 7 0.1847542E-10 8 0.3845264E-12 9 0.0000000E+00 v, j, mj = 0 8 -6 0 0.2066348E-04 1 0.2033651E-04 2 0.3452526E-04 3 0.5173482E-05 4 0.3614453E-05 5 0.5123990E-06 6 0.2158385E-07 7 0.8661689E-10 8 0.4088639E-12 9 0.0000000E+00 v, j, mj = 0 8 -5 0 0.5831940E-34 1 0.8536387E-06 2 0.8850743E-05 3 0.6833840E-05 4 0.3819951E-05 5 0.1414625E-05 6 0.1471106E-06 7 0.4776842E-09 8 0.1030243E-11 9 0.0000000E+00 v, j, mj = 0 8 -4 0 0.6530762E-33 1 0.6955770E-05 2 0.6414498E-05 3 0.3826776E-05 4 0.2390121E-05 5 0.5471423E-05 6 0.5532721E-06 7 0.1498578E-08 8 0.9033746E-12 9 0.0000000E+00 v, j, mj = 0 8 -3 0 0.3227587E-34 1 0.1333653E-04 2 0.5588335E-05 3 0.7457900E-05 4 0.5307754E-05 5 0.1288479E-04 6 0.1090786E-05 7 0.2568264E-08 8 0.6577082E-12 9 0.0000000E+00 v, j, mj = 0 8 -2 0 0.5462482E-33 1 0.1399873E-04 2 0.7636587E-05 3 0.1893597E-04 4 0.1035292E-04 5 0.1328530E-04 6 0.9821569E-06 7 0.2115716E-08 8 0.1296935E-11 9 0.0000000E+00 v, j, mj = 0 8 -1 0 0.1060114E-33 1 0.4305685E-06 2 0.3379888E-04 3 0.3024694E-04 4 0.1447027E-04 5 0.4231473E-05 6 0.4152007E-06 7 0.1048239E-08 8 0.1570166E-11 9 0.0000000E+00 v, j, mj = 0 8 0 0 0.1635141E-06 1 0.1706568E-04 2 0.5528751E-04 3 0.1955266E-04 4 0.1317207E-04 5 0.3409083E-05 6 0.3732147E-06 7 0.9398531E-09 8 0.9549795E-12 9 0.0000000E+00 v, j, mj = 0 8 1 0 0.7270683E-34 1 0.4305685E-06 2 0.3379888E-04 3 0.3024694E-04 4 0.1447027E-04 5 0.4231473E-05 6 0.4152007E-06 7 0.1048239E-08 8 0.1570166E-11 9 0.0000000E+00 v, j, mj = 0 8 2 0 0.9520866E-34 1 0.1399873E-04 2 0.7636587E-05 3 0.1893597E-04 4 0.1035292E-04 5 0.1328530E-04 6 0.9821569E-06 7 0.2115716E-08 8 0.1296935E-11 9 0.0000000E+00 v, j, mj = 0 8 3 0 0.1453471E-33 1 0.1333653E-04 2 0.5588335E-05 3 0.7457900E-05 4 0.5307754E-05 5 0.1288479E-04 6 0.1090786E-05 7 0.2568264E-08 8 0.6577082E-12 9 0.0000000E+00 v, j, mj = 0 8 4 0 0.2989304E-33 1 0.6955770E-05 2 0.6414498E-05 3 0.3826776E-05 4 0.2390121E-05 5 0.5471423E-05 6 0.5532721E-06 7 0.1498578E-08 8 0.9033746E-12 9 0.0000000E+00 v, j, mj = 0 8 5 0 0.1956880E-34 1 0.8536387E-06 2 0.8850743E-05 3 0.6833840E-05 4 0.3819951E-05 5 0.1414625E-05 6 0.1471106E-06 7 0.4776842E-09 8 0.1030243E-11 9 0.0000000E+00 v, j, mj = 0 8 6 0 0.2066348E-04 1 0.2033651E-04 2 0.3452526E-04 3 0.5173482E-05 4 0.3614453E-05 5 0.5123990E-06 6 0.2158385E-07 7 0.8661689E-10 8 0.4088639E-12 9 0.0000000E+00 v, j, mj = 0 8 7 0 0.3220865E-33 1 0.1400325E-04 2 0.5609572E-04 3 0.1639388E-04 4 0.4136091E-05 5 0.2620201E-06 6 0.7604147E-08 7 0.1847542E-10 8 0.3845264E-12 9 0.0000000E+00 v, j, mj = 0 8 8 0 0.5444808E-33 1 0.2974131E-03 2 0.2139456E-03 3 0.1553748E-03 4 0.9297334E-05 5 0.8717127E-06 6 0.1214619E-07 7 0.8766573E-11 8 0.3486248E-12 9 0.0000000E+00 v, j, mj = 0 10 -10 0 0.1805386E-33 1 0.1135503E-07 2 0.3664953E-08 3 0.1550906E-09 4 0.6206776E-12 5 0.3773442E-12 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 -9 0 0.1177948E-33 1 0.3133163E-09 2 0.3127948E-10 3 0.7228274E-11 4 0.1228523E-12 5 0.1772143E-12 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 -8 0 0.2784796E-34 1 0.3290125E-09 2 0.1531843E-09 3 0.1090106E-10 4 0.2591705E-12 5 0.8844624E-13 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 -7 0 0.4419033E-34 1 0.9447564E-11 2 0.3061888E-10 3 0.9546045E-11 4 0.3438738E-12 5 0.4007117E-13 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 -6 0 0.8644016E-10 1 0.6761886E-10 2 0.3216158E-10 3 0.3087957E-11 4 0.2895139E-12 5 0.4883075E-13 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 -5 0 0.6207999E-35 1 0.7044665E-11 2 0.2971810E-10 3 0.1230016E-10 4 0.5543839E-12 5 0.1008867E-12 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 -4 0 0.4448260E-34 1 0.2660766E-10 2 0.7305257E-10 3 0.4060884E-10 4 0.1757093E-11 5 0.1148227E-12 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 -3 0 0.1050423E-33 1 0.2892566E-10 2 0.2617825E-09 3 0.9036367E-10 4 0.3487695E-11 5 0.2145731E-12 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 -2 0 0.3262916E-34 1 0.9995571E-10 2 0.5862474E-09 3 0.1115142E-09 4 0.3201984E-11 5 0.2912924E-12 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 -1 0 0.8154619E-35 1 0.9038354E-09 2 0.3541465E-09 3 0.5229499E-10 4 0.9485707E-12 5 0.2480813E-12 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 0 0 0.1724300E-08 1 0.1365500E-09 2 0.8432118E-10 3 0.1532034E-10 4 0.1044764E-11 5 0.2171509E-12 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 1 0 0.2751395E-34 1 0.9038354E-09 2 0.3541465E-09 3 0.5229499E-10 4 0.9485707E-12 5 0.2480813E-12 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 2 0 0.1165800E-33 1 0.9995571E-10 2 0.5862474E-09 3 0.1115142E-09 4 0.3201984E-11 5 0.2912924E-12 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 3 0 0.9130360E-34 1 0.2892566E-10 2 0.2617825E-09 3 0.9036367E-10 4 0.3487695E-11 5 0.2145731E-12 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 4 0 0.9327492E-34 1 0.2660766E-10 2 0.7305257E-10 3 0.4060884E-10 4 0.1757093E-11 5 0.1148227E-12 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 5 0 0.5904043E-34 1 0.7044665E-11 2 0.2971810E-10 3 0.1230016E-10 4 0.5543839E-12 5 0.1008867E-12 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 6 0 0.8644016E-10 1 0.6761886E-10 2 0.3216158E-10 3 0.3087957E-11 4 0.2895139E-12 5 0.4883075E-13 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 7 0 0.3416526E-34 1 0.9447564E-11 2 0.3061888E-10 3 0.9546045E-11 4 0.3438738E-12 5 0.4007117E-13 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 8 0 0.2940989E-34 1 0.3290125E-09 2 0.1531843E-09 3 0.1090106E-10 4 0.2591705E-12 5 0.8844624E-13 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 9 0 0.2061441E-34 1 0.3133163E-09 2 0.3127948E-10 3 0.7228274E-11 4 0.1228523E-12 5 0.1772143E-12 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 10 0 0.8272361E-34 1 0.1135503E-07 2 0.3664953E-08 3 0.1550906E-09 4 0.6206776E-12 5 0.3773442E-12 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 0 0 0 0.2270943E-03 1 0.1893895E-03 2 0.1032575E-02 3 0.9161961E-03 4 0.1759496E-03 5 0.1892895E-03 6 0.3567440E-05 7 0.2002720E-08 8 0.6852261E-11 9 0.0000000E+00 v, j, mj = 1 2 -2 0 0.1686931E-31 1 0.9557090E-04 2 0.7309322E-04 3 0.3496131E-03 4 0.4070118E-03 5 0.3628143E-04 6 0.3776714E-06 7 0.5588064E-10 8 0.6913865E-11 9 0.0000000E+00 v, j, mj = 1 2 -1 0 0.5924255E-32 1 0.8370795E-05 2 0.1681522E-04 3 0.2745997E-04 4 0.7251979E-04 5 0.2889909E-05 6 0.1347758E-07 7 0.5219054E-11 8 0.5424330E-12 9 0.0000000E+00 v, j, mj = 1 2 0 0 0.8503314E-04 1 0.5967865E-04 2 0.1624394E-03 3 0.7420304E-04 4 0.1744833E-04 5 0.9625944E-05 6 0.1402075E-06 7 0.2632943E-10 8 0.7980671E-11 9 0.0000000E+00 v, j, mj = 1 2 1 0 0.1898210E-32 1 0.8370795E-05 2 0.1681522E-04 3 0.2745997E-04 4 0.7251979E-04 5 0.2889909E-05 6 0.1347758E-07 7 0.5219054E-11 8 0.5424330E-12 9 0.0000000E+00 v, j, mj = 1 2 2 0 0.1439151E-31 1 0.9557090E-04 2 0.7309322E-04 3 0.3496131E-03 4 0.4070118E-03 5 0.3628143E-04 6 0.3776714E-06 7 0.5588064E-10 8 0.6913865E-11 9 0.0000000E+00 v, j, mj = 1 4 -4 0 0.2316371E-32 1 0.3224748E-04 2 0.1185607E-03 3 0.5356058E-04 4 0.2685308E-05 5 0.2369369E-07 6 0.1105344E-10 7 0.5449903E-11 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 -3 0 0.1768630E-34 1 0.3094590E-04 2 0.8369601E-05 3 0.1041618E-04 4 0.5735158E-06 5 0.1664621E-08 6 0.1852321E-11 7 0.7191892E-12 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 -2 0 0.9671566E-33 1 0.2820324E-04 2 0.1297885E-04 3 0.2111593E-05 4 0.9389135E-07 5 0.3773854E-08 6 0.1523129E-10 7 0.1604775E-11 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 -1 0 0.2293322E-33 1 0.6500436E-07 2 0.2318871E-05 3 0.6525625E-06 4 0.1218825E-06 5 0.8595609E-09 6 0.2071122E-11 7 0.2737333E-12 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 0 0 0.1086503E-04 1 0.1278764E-04 2 0.3992971E-05 3 0.1582438E-05 4 0.3010981E-06 5 0.3497703E-08 6 0.7402091E-11 7 0.5230607E-12 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 1 0 0.1615802E-32 1 0.6500436E-07 2 0.2318871E-05 3 0.6525625E-06 4 0.1218825E-06 5 0.8595609E-09 6 0.2071122E-11 7 0.2737333E-12 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 2 0 0.1032385E-32 1 0.2820324E-04 2 0.1297885E-04 3 0.2111593E-05 4 0.9389135E-07 5 0.3773854E-08 6 0.1523129E-10 7 0.1604775E-11 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 3 0 0.1138419E-32 1 0.3094590E-04 2 0.8369601E-05 3 0.1041618E-04 4 0.5735158E-06 5 0.1664621E-08 6 0.1852321E-11 7 0.7191892E-12 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 4 0 0.1381248E-31 1 0.3224748E-04 2 0.1185607E-03 3 0.5356058E-04 4 0.2685308E-05 5 0.2369369E-07 6 0.1105344E-10 7 0.5449903E-11 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 6 -6 0 0.1146060E-06 1 0.1167424E-06 2 0.5466001E-07 3 0.1782331E-09 4 0.1278145E-10 5 0.3145259E-11 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 6 -5 0 0.1237935E-33 1 0.5620960E-09 2 0.1134899E-08 3 0.4798323E-10 4 0.3491689E-11 5 0.1083882E-11 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 6 -4 0 0.5046440E-34 1 0.1390779E-08 2 0.3421350E-09 3 0.1254946E-10 4 0.9765410E-12 5 0.6881101E-12 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 6 -3 0 0.6954806E-34 1 0.3157374E-09 2 0.5347542E-10 3 0.4283283E-11 4 0.1155768E-11 5 0.1166051E-11 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 6 -2 0 0.1819180E-34 1 0.2222831E-10 2 0.6245528E-10 3 0.7174130E-11 4 0.7857154E-12 5 0.5318658E-12 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 6 -1 0 0.2079922E-33 1 0.6041467E-10 2 0.5442960E-10 3 0.5018628E-11 4 0.4498057E-12 5 0.6967597E-12 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 6 0 0 0.2040518E-09 1 0.1012116E-09 2 0.1711959E-09 3 0.4087548E-11 4 0.2553285E-11 5 0.3764044E-13 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 6 1 0 0.8564891E-34 1 0.6041467E-10 2 0.5442960E-10 3 0.5018628E-11 4 0.4498057E-12 5 0.6967597E-12 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 6 2 0 0.3540118E-33 1 0.2222831E-10 2 0.6245528E-10 3 0.7174130E-11 4 0.7857154E-12 5 0.5318658E-12 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 6 3 0 0.5648669E-34 1 0.3157374E-09 2 0.5347542E-10 3 0.4283283E-11 4 0.1155768E-11 5 0.1166051E-11 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 6 4 0 0.2636080E-34 1 0.1390779E-08 2 0.3421350E-09 3 0.1254946E-10 4 0.9765410E-12 5 0.6881101E-12 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 6 5 0 0.1297615E-34 1 0.5620960E-09 2 0.1134899E-08 3 0.4798323E-10 4 0.3491689E-11 5 0.1083882E-11 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 6 6 0 0.1146060E-06 1 0.1167424E-06 2 0.5466001E-07 3 0.1782331E-09 4 0.1278145E-10 5 0.3145259E-11 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 sum of the probabilities = 0.3767733 average vibrational energy (ev) = 0.008128 average rotational energy (ev) = 0.105875 average diffraction energy (ev) = 0.195009 the reaction probability = 0.6232267D+00 $$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$ total energy = -0.33913153D+01 trans energy = 0.10857143D+01 trans energy in z = 0.10857143D+01 total momentum = 0.17122995D+02 $$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$ ************************************ rotation-diffraction summed probabilities ************************************ v probability av edif av erot 0 0.2243279E+00 0.2237280E+00 0.1507970E+00 1 0.1290623E-01 0.1081599E+00 0.6539760E-01 2 0.4711239E-06 0.7475600E-02 0.1092282E-02 ************************************ diffraction summed probabilities ************************************ v irot j m probability 0 43 0 0 0.1616335E-01 0 31 2 -2 0.1684483E-01 0 37 2 -1 0.9819564E-02 0 44 2 0 0.2538960E-01 0 50 2 1 0.9819564E-02 0 56 2 2 0.1684483E-01 0 21 4 -4 0.1035342E-01 0 26 4 -3 0.6932932E-02 0 32 4 -2 0.7736551E-02 0 38 4 -1 0.4714540E-02 0 45 4 0 0.5870992E-02 0 51 4 1 0.4714540E-02 0 57 4 2 0.7736551E-02 0 62 4 3 0.6932932E-02 0 67 4 4 0.1035342E-01 0 13 6 -6 0.2596237E-02 0 17 6 -5 0.3601574E-02 0 22 6 -4 0.4695028E-02 0 27 6 -3 0.4926273E-02 0 33 6 -2 0.4320996E-02 0 39 6 -1 0.5059922E-02 0 46 6 0 0.6676421E-02 0 52 6 1 0.5059922E-02 0 58 6 2 0.4320996E-02 0 63 6 3 0.4926273E-02 0 68 6 4 0.4695028E-02 0 72 6 5 0.3601574E-02 0 76 6 6 0.2596237E-02 0 7 8 -8 0.4653848E-03 0 10 8 -7 0.5346022E-03 0 14 8 -6 0.4736251E-03 0 18 8 -5 0.2687473E-03 0 23 8 -4 0.1637376E-03 0 28 8 -3 0.2823398E-03 0 34 8 -2 0.3186376E-03 0 40 8 -1 0.5710881E-03 0 47 8 0 0.7661028E-03 0 53 8 1 0.5710881E-03 0 59 8 2 0.3186376E-03 0 64 8 3 0.2823398E-03 0 69 8 4 0.1637376E-03 0 73 8 5 0.2687473E-03 0 77 8 6 0.4736251E-03 0 80 8 7 0.5346022E-03 0 83 8 8 0.4653848E-03 0 3 10 -10 0.4204265E-04 0 5 10 -9 0.2642388E-05 0 8 10 -8 0.4033842E-05 0 11 10 -7 0.3151918E-06 0 15 10 -6 0.3333372E-06 0 19 10 -5 0.8115720E-07 0 24 10 -4 0.7362522E-07 0 29 10 -3 0.2570193E-06 0 35 10 -2 0.2167009E-06 0 41 10 -1 0.3893173E-06 0 48 10 0 0.5964634E-06 0 54 10 1 0.3893173E-06 0 60 10 2 0.2167009E-06 0 65 10 3 0.2570193E-06 0 70 10 4 0.7362522E-07 0 74 10 5 0.8115720E-07 0 78 10 6 0.3333372E-06 0 81 10 7 0.3151918E-06 0 84 10 8 0.4033842E-05 0 86 10 9 0.2642388E-05 0 88 10 10 0.4204265E-04 0 1 12 -12 0.9126834E-12 0 2 12 -11 0.2197975E-12 0 4 12 -10 0.8769865E-13 0 6 12 -9 0.7773922E-13 0 9 12 -8 0.2094184E-13 0 12 12 -7 0.1546157E-13 0 16 12 -6 0.5217241E-13 0 20 12 -5 0.5073676E-13 0 25 12 -4 0.2220551E-13 0 30 12 -3 0.3038650E-13 0 36 12 -2 0.1828413E-13 0 42 12 -1 0.1148212E-13 0 49 12 0 0.6079746E-13 0 55 12 1 0.1148212E-13 0 61 12 2 0.1828413E-13 0 66 12 3 0.3038650E-13 0 71 12 4 0.2220551E-13 0 75 12 5 0.5073676E-13 0 79 12 6 0.5217241E-13 0 82 12 7 0.1546157E-13 0 85 12 8 0.2094184E-13 0 87 12 9 0.7773922E-13 0 89 12 10 0.8769865E-13 0 90 12 11 0.2197975E-12 0 91 12 12 0.9126834E-12 1 43 0 0 0.2892481E-02 1 31 2 -2 0.1904016E-02 1 37 2 -1 0.9561915E-03 1 44 2 0 0.1057632E-02 1 50 2 1 0.9561915E-03 1 56 2 2 0.1904016E-02 1 21 4 -4 0.5029067E-03 1 26 4 -3 0.3592378E-03 1 32 4 -2 0.3663361E-03 1 38 4 -1 0.3304113E-04 1 45 4 0 0.2556481E-03 1 51 4 1 0.3304113E-04 1 57 4 2 0.3663361E-03 1 62 4 3 0.3592378E-03 1 67 4 4 0.5029067E-03 1 13 6 -6 0.1493722E-03 1 17 6 -5 0.5328190E-04 1 22 6 -4 0.1901598E-04 1 27 6 -3 0.4353724E-05 1 33 6 -2 0.1713057E-06 1 39 6 -1 0.4724331E-06 1 46 6 0 0.3667994E-05 1 52 6 1 0.4724331E-06 1 58 6 2 0.1713057E-06 1 63 6 3 0.4353724E-05 1 68 6 4 0.1901598E-04 1 72 6 5 0.5328190E-04 1 76 6 6 0.1493722E-03 1 7 8 -8 0.1489994E-08 1 10 8 -7 0.2792006E-09 1 14 8 -6 0.9426669E-10 1 18 8 -5 0.5365075E-11 1 23 8 -4 0.5361999E-11 1 28 8 -3 0.2403305E-11 1 34 8 -2 0.3702018E-12 1 40 8 -1 0.3337689E-12 1 47 8 0 0.1353308E-11 1 53 8 1 0.3337689E-12 1 59 8 2 0.3702018E-12 1 64 8 3 0.2403305E-11 1 69 8 4 0.5361999E-11 1 73 8 5 0.5365075E-11 1 77 8 6 0.9426669E-10 1 80 8 7 0.2792006E-09 1 83 8 8 0.1489994E-08 1 3 10 -10 0.0000000E+00 1 5 10 -9 0.0000000E+00 1 8 10 -8 0.0000000E+00 1 11 10 -7 0.0000000E+00 1 15 10 -6 0.0000000E+00 1 19 10 -5 0.0000000E+00 1 24 10 -4 0.0000000E+00 1 29 10 -3 0.0000000E+00 1 35 10 -2 0.0000000E+00 1 41 10 -1 0.0000000E+00 1 48 10 0 0.0000000E+00 1 54 10 1 0.0000000E+00 1 60 10 2 0.0000000E+00 1 65 10 3 0.0000000E+00 1 70 10 4 0.0000000E+00 1 74 10 5 0.0000000E+00 1 78 10 6 0.0000000E+00 1 81 10 7 0.0000000E+00 1 84 10 8 0.0000000E+00 1 86 10 9 0.0000000E+00 1 88 10 10 0.0000000E+00 1 1 12 -12 0.0000000E+00 1 2 12 -11 0.0000000E+00 1 4 12 -10 0.0000000E+00 1 6 12 -9 0.0000000E+00 1 9 12 -8 0.0000000E+00 1 12 12 -7 0.0000000E+00 1 16 12 -6 0.0000000E+00 1 20 12 -5 0.0000000E+00 1 25 12 -4 0.0000000E+00 1 30 12 -3 0.0000000E+00 1 36 12 -2 0.0000000E+00 1 42 12 -1 0.0000000E+00 1 49 12 0 0.0000000E+00 1 55 12 1 0.0000000E+00 1 61 12 2 0.0000000E+00 1 66 12 3 0.0000000E+00 1 71 12 4 0.0000000E+00 1 75 12 5 0.0000000E+00 1 79 12 6 0.0000000E+00 1 82 12 7 0.0000000E+00 1 85 12 8 0.0000000E+00 1 87 12 9 0.0000000E+00 1 89 12 10 0.0000000E+00 1 90 12 11 0.0000000E+00 1 91 12 12 0.0000000E+00 2 43 0 0 0.4595088E-06 2 31 2 -2 0.4482218E-08 2 37 2 -1 0.1990878E-09 2 44 2 0 0.2252501E-08 2 50 2 1 0.1990878E-09 2 56 2 2 0.4482218E-08 2 21 4 -4 0.0000000E+00 2 26 4 -3 0.0000000E+00 2 32 4 -2 0.0000000E+00 2 38 4 -1 0.0000000E+00 2 45 4 0 0.0000000E+00 2 51 4 1 0.0000000E+00 2 57 4 2 0.0000000E+00 2 62 4 3 0.0000000E+00 2 67 4 4 0.0000000E+00 2 13 6 -6 0.0000000E+00 2 17 6 -5 0.0000000E+00 2 22 6 -4 0.0000000E+00 2 27 6 -3 0.0000000E+00 2 33 6 -2 0.0000000E+00 2 39 6 -1 0.0000000E+00 2 46 6 0 0.0000000E+00 2 52 6 1 0.0000000E+00 2 58 6 2 0.0000000E+00 2 63 6 3 0.0000000E+00 2 68 6 4 0.0000000E+00 2 72 6 5 0.0000000E+00 2 76 6 6 0.0000000E+00 2 7 8 -8 0.0000000E+00 2 10 8 -7 0.0000000E+00 2 14 8 -6 0.0000000E+00 2 18 8 -5 0.0000000E+00 2 23 8 -4 0.0000000E+00 2 28 8 -3 0.0000000E+00 2 34 8 -2 0.0000000E+00 2 40 8 -1 0.0000000E+00 2 47 8 0 0.0000000E+00 2 53 8 1 0.0000000E+00 2 59 8 2 0.0000000E+00 2 64 8 3 0.0000000E+00 2 69 8 4 0.0000000E+00 2 73 8 5 0.0000000E+00 2 77 8 6 0.0000000E+00 2 80 8 7 0.0000000E+00 2 83 8 8 0.0000000E+00 2 3 10 -10 0.0000000E+00 2 5 10 -9 0.0000000E+00 2 8 10 -8 0.0000000E+00 2 11 10 -7 0.0000000E+00 2 15 10 -6 0.0000000E+00 2 19 10 -5 0.0000000E+00 2 24 10 -4 0.0000000E+00 2 29 10 -3 0.0000000E+00 2 35 10 -2 0.0000000E+00 2 41 10 -1 0.0000000E+00 2 48 10 0 0.0000000E+00 2 54 10 1 0.0000000E+00 2 60 10 2 0.0000000E+00 2 65 10 3 0.0000000E+00 2 70 10 4 0.0000000E+00 2 74 10 5 0.0000000E+00 2 78 10 6 0.0000000E+00 2 81 10 7 0.0000000E+00 2 84 10 8 0.0000000E+00 2 86 10 9 0.0000000E+00 2 88 10 10 0.0000000E+00 2 1 12 -12 0.0000000E+00 2 2 12 -11 0.0000000E+00 2 4 12 -10 0.0000000E+00 2 6 12 -9 0.0000000E+00 2 9 12 -8 0.0000000E+00 2 12 12 -7 0.0000000E+00 2 16 12 -6 0.0000000E+00 2 20 12 -5 0.0000000E+00 2 25 12 -4 0.0000000E+00 2 30 12 -3 0.0000000E+00 2 36 12 -2 0.0000000E+00 2 42 12 -1 0.0000000E+00 2 49 12 0 0.0000000E+00 2 55 12 1 0.0000000E+00 2 61 12 2 0.0000000E+00 2 66 12 3 0.0000000E+00 2 71 12 4 0.0000000E+00 2 75 12 5 0.0000000E+00 2 79 12 6 0.0000000E+00 2 82 12 7 0.0000000E+00 2 85 12 8 0.0000000E+00 2 87 12 9 0.0000000E+00 2 89 12 10 0.0000000E+00 2 90 12 11 0.0000000E+00 2 91 12 12 0.0000000E+00 ************************************ probabilities as function of diffraction order ************************************ v, j, mj = 0 0 0 0 0.1875937E-03 1 0.3631785E-03 2 0.1654649E-02 3 0.7011124E-03 4 0.3248597E-02 5 0.2454828E-02 6 0.2650214E-02 7 0.3299261E-02 8 0.1528138E-02 9 0.7577783E-04 v, j, mj = 0 2 -2 0 0.2844773E-31 1 0.1490007E-04 2 0.4581412E-03 3 0.4563398E-03 4 0.1024899E-02 5 0.2130703E-02 6 0.2399109E-02 7 0.6617948E-02 8 0.3545491E-02 9 0.1973029E-03 v, j, mj = 0 2 -1 0 0.9154777E-34 1 0.5568444E-03 2 0.2473519E-03 3 0.1266862E-02 4 0.8547486E-03 5 0.1207044E-02 6 0.3203000E-02 7 0.1602562E-02 8 0.8112999E-03 9 0.6985223E-04 v, j, mj = 0 2 0 0 0.7973539E-06 1 0.9184050E-04 2 0.1177629E-02 3 0.7362897E-03 4 0.2281499E-02 5 0.4864252E-02 6 0.2129494E-02 7 0.1060698E-01 8 0.3392484E-02 9 0.1083316E-03 v, j, mj = 0 2 1 0 0.7967995E-32 1 0.5568444E-03 2 0.2473519E-03 3 0.1266862E-02 4 0.8547486E-03 5 0.1207044E-02 6 0.3203000E-02 7 0.1602562E-02 8 0.8112999E-03 9 0.6985223E-04 v, j, mj = 0 2 2 0 0.2693495E-31 1 0.1490007E-04 2 0.4581412E-03 3 0.4563398E-03 4 0.1024899E-02 5 0.2130703E-02 6 0.2399109E-02 7 0.6617948E-02 8 0.3545491E-02 9 0.1973029E-03 v, j, mj = 0 4 -4 0 0.2087939E-31 1 0.1448100E-03 2 0.1150916E-03 3 0.4784541E-03 4 0.7209420E-03 5 0.1093049E-02 6 0.1363878E-02 7 0.4853863E-02 8 0.1536867E-02 9 0.4646645E-04 v, j, mj = 0 4 -3 0 0.2259322E-33 1 0.4061164E-04 2 0.3947055E-03 3 0.4020537E-03 4 0.8912336E-03 5 0.2216585E-02 6 0.2379265E-02 7 0.4000614E-03 8 0.2026059E-03 9 0.5810742E-05 v, j, mj = 0 4 -2 0 0.4102965E-32 1 0.3805273E-04 2 0.3199264E-03 3 0.5457005E-03 4 0.1021998E-02 5 0.1427079E-02 6 0.2096524E-02 7 0.1958540E-02 8 0.3182230E-03 9 0.1050729E-04 v, j, mj = 0 4 -1 0 0.1065645E-32 1 0.3988404E-04 2 0.9626314E-04 3 0.1766825E-03 4 0.5451005E-03 5 0.6553303E-03 6 0.1967557E-02 7 0.1120794E-02 8 0.1103127E-03 9 0.2616178E-05 v, j, mj = 0 4 0 0 0.7014138E-05 1 0.2094317E-03 2 0.8126063E-03 3 0.9977474E-03 4 0.1100773E-02 5 0.8076685E-03 6 0.6186534E-03 7 0.9306916E-03 8 0.3739580E-03 9 0.1244758E-04 v, j, mj = 0 4 1 0 0.4237090E-32 1 0.3988404E-04 2 0.9626314E-04 3 0.1766825E-03 4 0.5451005E-03 5 0.6553303E-03 6 0.1967557E-02 7 0.1120794E-02 8 0.1103127E-03 9 0.2616178E-05 v, j, mj = 0 4 2 0 0.7875049E-33 1 0.3805273E-04 2 0.3199264E-03 3 0.5457005E-03 4 0.1021998E-02 5 0.1427079E-02 6 0.2096524E-02 7 0.1958540E-02 8 0.3182230E-03 9 0.1050729E-04 v, j, mj = 0 4 3 0 0.3165244E-33 1 0.4061164E-04 2 0.3947055E-03 3 0.4020537E-03 4 0.8912336E-03 5 0.2216585E-02 6 0.2379265E-02 7 0.4000614E-03 8 0.2026059E-03 9 0.5810742E-05 v, j, mj = 0 4 4 0 0.2770168E-32 1 0.1448100E-03 2 0.1150916E-03 3 0.4784541E-03 4 0.7209420E-03 5 0.1093049E-02 6 0.1363878E-02 7 0.4853863E-02 8 0.1536867E-02 9 0.4646645E-04 v, j, mj = 0 6 -6 0 0.2621195E-04 1 0.4640590E-04 2 0.4792177E-03 3 0.1630291E-03 4 0.3817737E-03 5 0.6054165E-03 6 0.6531522E-03 7 0.2262619E-03 8 0.1471744E-04 9 0.5001612E-07 v, j, mj = 0 6 -5 0 0.8571175E-33 1 0.5804783E-04 2 0.4817354E-03 3 0.5727242E-03 4 0.1412994E-02 5 0.6786194E-03 6 0.3164185E-03 7 0.7647007E-04 8 0.4526026E-05 9 0.3846316E-07 v, j, mj = 0 6 -4 0 0.1477061E-31 1 0.1312390E-03 2 0.1364353E-03 3 0.1186047E-02 4 0.8289970E-03 5 0.1413007E-02 6 0.7028838E-03 7 0.2692266E-03 8 0.2698998E-04 9 0.2023419E-06 v, j, mj = 0 6 -3 0 0.1425282E-32 1 0.1551016E-03 2 0.8147010E-04 3 0.4946913E-03 4 0.7202897E-03 5 0.1054408E-02 6 0.1542488E-02 7 0.8178694E-03 8 0.5964125E-04 9 0.3138393E-06 v, j, mj = 0 6 -2 0 0.1398692E-31 1 0.3213116E-04 2 0.3081825E-04 3 0.3860441E-03 4 0.4822524E-03 5 0.9621103E-03 6 0.1447403E-02 7 0.9076629E-03 8 0.7215629E-04 9 0.4175753E-06 v, j, mj = 0 6 -1 0 0.3391871E-32 1 0.1793045E-04 2 0.1859232E-03 3 0.3281706E-03 4 0.1251274E-02 5 0.9104044E-03 6 0.1229104E-02 7 0.1053795E-02 8 0.8285785E-04 9 0.4624328E-06 v, j, mj = 0 6 0 0 0.1975168E-03 1 0.1905963E-03 2 0.1045294E-02 3 0.1157591E-02 4 0.1257844E-02 5 0.1439123E-02 6 0.6367539E-03 7 0.6870457E-03 8 0.6424314E-04 9 0.4128227E-06 v, j, mj = 0 6 1 0 0.1270250E-32 1 0.1793045E-04 2 0.1859232E-03 3 0.3281706E-03 4 0.1251274E-02 5 0.9104044E-03 6 0.1229104E-02 7 0.1053795E-02 8 0.8285785E-04 9 0.4624328E-06 v, j, mj = 0 6 2 0 0.6004483E-32 1 0.3213116E-04 2 0.3081825E-04 3 0.3860441E-03 4 0.4822524E-03 5 0.9621103E-03 6 0.1447403E-02 7 0.9076629E-03 8 0.7215629E-04 9 0.4175753E-06 v, j, mj = 0 6 3 0 0.7785325E-33 1 0.1551016E-03 2 0.8147010E-04 3 0.4946913E-03 4 0.7202897E-03 5 0.1054408E-02 6 0.1542488E-02 7 0.8178694E-03 8 0.5964125E-04 9 0.3138393E-06 v, j, mj = 0 6 4 0 0.1496530E-31 1 0.1312390E-03 2 0.1364353E-03 3 0.1186047E-02 4 0.8289970E-03 5 0.1413007E-02 6 0.7028838E-03 7 0.2692266E-03 8 0.2698998E-04 9 0.2023419E-06 v, j, mj = 0 6 5 0 0.3440419E-33 1 0.5804783E-04 2 0.4817354E-03 3 0.5727242E-03 4 0.1412994E-02 5 0.6786194E-03 6 0.3164185E-03 7 0.7647007E-04 8 0.4526026E-05 9 0.3846316E-07 v, j, mj = 0 6 6 0 0.2621195E-04 1 0.4640590E-04 2 0.4792177E-03 3 0.1630291E-03 4 0.3817737E-03 5 0.6054165E-03 6 0.6531522E-03 7 0.2262619E-03 8 0.1471744E-04 9 0.5001612E-07 v, j, mj = 0 8 -8 0 0.2012474E-32 1 0.1190306E-03 2 0.1215297E-03 3 0.1490520E-03 4 0.3712434E-04 5 0.3467151E-04 6 0.3939834E-05 7 0.3675232E-07 8 0.1939288E-10 9 0.8253335E-12 v, j, mj = 0 8 -7 0 0.3910245E-33 1 0.8856907E-04 2 0.1165150E-03 3 0.2489966E-03 4 0.6410498E-04 5 0.1557535E-04 6 0.8093254E-06 7 0.3181392E-07 8 0.4317015E-10 9 0.9296210E-13 v, j, mj = 0 8 -6 0 0.4495073E-04 1 0.2855908E-04 2 0.2805731E-03 3 0.4124252E-04 4 0.6383196E-04 5 0.1165398E-04 6 0.2642527E-05 7 0.1709207E-06 8 0.3115370E-09 9 0.2007496E-12 v, j, mj = 0 8 -5 0 0.3342747E-34 1 0.3668635E-05 2 0.1219779E-03 3 0.8352060E-04 4 0.2949699E-04 5 0.2136231E-04 6 0.8089236E-05 7 0.6303981E-06 8 0.1226006E-08 9 0.4713173E-12 v, j, mj = 0 8 -4 0 0.4725072E-33 1 0.2389718E-05 2 0.3228277E-04 3 0.5935730E-04 4 0.1473590E-04 5 0.2300515E-04 6 0.2999096E-04 7 0.1972518E-05 8 0.3333531E-08 9 0.4930304E-12 v, j, mj = 0 8 -3 0 0.5793064E-33 1 0.3586775E-04 2 0.2376608E-04 3 0.8558572E-04 4 0.3211569E-04 5 0.4222887E-04 6 0.5960695E-04 7 0.3164129E-05 8 0.4613152E-08 9 0.8859446E-12 v, j, mj = 0 8 -2 0 0.1767368E-33 1 0.2958250E-04 2 0.4547889E-04 3 0.4730377E-04 4 0.8912718E-04 5 0.5114377E-04 6 0.5351178E-04 7 0.2486221E-05 8 0.3511977E-08 9 0.1126128E-11 v, j, mj = 0 8 -1 0 0.4306731E-33 1 0.8361418E-05 2 0.1983862E-03 3 0.9062462E-04 4 0.2288419E-03 5 0.2606169E-04 6 0.1766512E-04 7 0.1145166E-05 8 0.2002307E-08 9 0.1667209E-11 v, j, mj = 0 8 0 0 0.4591028E-04 1 0.2209829E-04 2 0.4019812E-03 3 0.8960351E-04 4 0.1468006E-03 5 0.3380239E-04 6 0.2449096E-04 7 0.1413087E-05 8 0.2476797E-08 9 0.1478298E-11 v, j, mj = 0 8 1 0 0.4587575E-33 1 0.8361418E-05 2 0.1983862E-03 3 0.9062462E-04 4 0.2288419E-03 5 0.2606169E-04 6 0.1766512E-04 7 0.1145166E-05 8 0.2002307E-08 9 0.1667209E-11 v, j, mj = 0 8 2 0 0.2229754E-33 1 0.2958250E-04 2 0.4547889E-04 3 0.4730377E-04 4 0.8912718E-04 5 0.5114377E-04 6 0.5351178E-04 7 0.2486221E-05 8 0.3511977E-08 9 0.1126128E-11 v, j, mj = 0 8 3 0 0.3869175E-33 1 0.3586775E-04 2 0.2376608E-04 3 0.8558572E-04 4 0.3211569E-04 5 0.4222887E-04 6 0.5960695E-04 7 0.3164129E-05 8 0.4613152E-08 9 0.8859446E-12 v, j, mj = 0 8 4 0 0.4594260E-32 1 0.2389718E-05 2 0.3228277E-04 3 0.5935730E-04 4 0.1473590E-04 5 0.2300515E-04 6 0.2999096E-04 7 0.1972518E-05 8 0.3333531E-08 9 0.4930304E-12 v, j, mj = 0 8 5 0 0.2358175E-33 1 0.3668635E-05 2 0.1219779E-03 3 0.8352060E-04 4 0.2949699E-04 5 0.2136231E-04 6 0.8089236E-05 7 0.6303981E-06 8 0.1226006E-08 9 0.4713173E-12 v, j, mj = 0 8 6 0 0.4495073E-04 1 0.2855908E-04 2 0.2805731E-03 3 0.4124252E-04 4 0.6383196E-04 5 0.1165398E-04 6 0.2642527E-05 7 0.1709207E-06 8 0.3115370E-09 9 0.2007496E-12 v, j, mj = 0 8 7 0 0.3258142E-33 1 0.8856907E-04 2 0.1165150E-03 3 0.2489966E-03 4 0.6410498E-04 5 0.1557535E-04 6 0.8093254E-06 7 0.3181392E-07 8 0.4317015E-10 9 0.9296210E-13 v, j, mj = 0 8 8 0 0.9147803E-33 1 0.1190306E-03 2 0.1215297E-03 3 0.1490520E-03 4 0.3712434E-04 5 0.3467151E-04 6 0.3939834E-05 7 0.3675232E-07 8 0.1939288E-10 9 0.8253335E-12 v, j, mj = 0 10 -10 0 0.4079236E-33 1 0.2528797E-04 2 0.1319744E-04 3 0.3494497E-05 4 0.6266202E-07 5 0.8755431E-10 6 0.2558929E-12 7 0.3852490E-13 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 -9 0 0.3283757E-33 1 0.1748871E-05 2 0.6426730E-06 3 0.2404021E-06 4 0.1041566E-07 5 0.2654729E-10 6 0.2083793E-12 7 0.3362634E-13 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 -8 0 0.1182280E-33 1 0.2439015E-05 2 0.1198027E-05 3 0.3926573E-06 4 0.4093778E-08 5 0.4892685E-10 6 0.1816905E-12 7 0.3757654E-13 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 -7 0 0.3202456E-35 1 0.1297574E-08 2 0.2741515E-06 3 0.3518782E-07 4 0.4506088E-08 5 0.4866755E-10 6 0.9177399E-13 7 0.3641435E-13 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 -6 0 0.5497830E-07 1 0.4892873E-07 2 0.2036336E-06 3 0.2261697E-07 4 0.3116925E-08 5 0.6219046E-10 6 0.2968205E-12 7 0.1944772E-12 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 -5 0 0.1571075E-34 1 0.1836802E-08 2 0.5567814E-07 3 0.1684175E-07 4 0.6468698E-08 5 0.3301161E-09 6 0.1253931E-11 7 0.4502932E-12 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 -4 0 0.1469458E-33 1 0.4311035E-08 2 0.1621192E-07 3 0.3658590E-07 4 0.1554198E-07 5 0.9720024E-09 6 0.1932709E-11 7 0.4528725E-12 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 -3 0 0.6474065E-35 1 0.1514684E-06 2 0.1807930E-07 3 0.6220902E-07 4 0.2394236E-07 5 0.1317790E-08 6 0.2053693E-11 7 0.4223888E-12 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 -2 0 0.6885748E-34 1 0.8649338E-07 2 0.2555294E-07 3 0.7980378E-07 4 0.2408123E-07 5 0.7685298E-09 6 0.8522951E-12 7 0.2317891E-12 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 -1 0 0.1748736E-33 1 0.1561793E-07 2 0.2727513E-06 3 0.8759550E-07 4 0.1325146E-07 5 0.1006430E-09 6 0.3356335E-12 7 0.1625037E-12 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 0 0 0.4143351E-08 1 0.1173558E-06 2 0.4458033E-06 3 0.2543299E-07 4 0.3508616E-08 5 0.2188552E-09 6 0.3950792E-12 7 0.1479524E-12 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 1 0 0.4014936E-34 1 0.1561793E-07 2 0.2727513E-06 3 0.8759550E-07 4 0.1325146E-07 5 0.1006430E-09 6 0.3356335E-12 7 0.1625037E-12 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 2 0 0.2002453E-33 1 0.8649338E-07 2 0.2555294E-07 3 0.7980378E-07 4 0.2408123E-07 5 0.7685298E-09 6 0.8522951E-12 7 0.2317891E-12 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 3 0 0.1427736E-34 1 0.1514684E-06 2 0.1807930E-07 3 0.6220902E-07 4 0.2394236E-07 5 0.1317790E-08 6 0.2053693E-11 7 0.4223888E-12 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 4 0 0.1323629E-33 1 0.4311035E-08 2 0.1621192E-07 3 0.3658590E-07 4 0.1554198E-07 5 0.9720024E-09 6 0.1932709E-11 7 0.4528725E-12 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 5 0 0.3089386E-34 1 0.1836802E-08 2 0.5567814E-07 3 0.1684175E-07 4 0.6468698E-08 5 0.3301161E-09 6 0.1253931E-11 7 0.4502932E-12 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 6 0 0.5497830E-07 1 0.4892873E-07 2 0.2036336E-06 3 0.2261697E-07 4 0.3116925E-08 5 0.6219046E-10 6 0.2968205E-12 7 0.1944772E-12 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 7 0 0.2782013E-33 1 0.1297574E-08 2 0.2741515E-06 3 0.3518782E-07 4 0.4506088E-08 5 0.4866755E-10 6 0.9177399E-13 7 0.3641435E-13 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 8 0 0.4906779E-34 1 0.2439015E-05 2 0.1198027E-05 3 0.3926573E-06 4 0.4093778E-08 5 0.4892685E-10 6 0.1816905E-12 7 0.3757654E-13 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 9 0 0.2730610E-34 1 0.1748871E-05 2 0.6426730E-06 3 0.2404021E-06 4 0.1041566E-07 5 0.2654729E-10 6 0.2083793E-12 7 0.3362634E-13 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 10 0 0.4822255E-33 1 0.2528797E-04 2 0.1319744E-04 3 0.3494497E-05 4 0.6266202E-07 5 0.8755431E-10 6 0.2558929E-12 7 0.3852490E-13 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 12 -12 0 0.8588000E-13 1 0.2805216E-12 2 0.5462819E-12 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 12 -11 0 0.4805412E-34 1 0.7128200E-13 2 0.1485155E-12 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 12 -10 0 0.8586957E-35 1 0.6986430E-13 2 0.1783435E-13 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 12 -9 0 0.9206439E-35 1 0.5759296E-13 2 0.2014626E-13 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 12 -8 0 0.4792977E-35 1 0.2922585E-14 2 0.1801925E-13 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 12 -7 0 0.2202812E-34 1 0.2220871E-14 2 0.1324070E-13 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 12 -6 0 0.5714271E-14 1 0.7934818E-14 2 0.3852333E-13 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 12 -5 0 0.4822285E-34 1 0.1030479E-13 2 0.4043197E-13 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 12 -4 0 0.4185926E-33 1 0.1906475E-13 2 0.3140766E-14 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 12 -3 0 0.2057696E-34 1 0.1189645E-13 2 0.1849005E-13 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 12 -2 0 0.5330881E-33 1 0.1255479E-13 2 0.5729345E-14 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 12 -1 0 0.6612769E-35 1 0.3603450E-14 2 0.7878674E-14 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 12 0 0 0.3413738E-14 1 0.8981874E-14 2 0.4840185E-13 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 12 1 0 0.1660958E-33 1 0.3603450E-14 2 0.7878674E-14 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 12 2 0 0.3930454E-33 1 0.1255479E-13 2 0.5729345E-14 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 12 3 0 0.1047763E-33 1 0.1189645E-13 2 0.1849005E-13 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 12 4 0 0.9081052E-34 1 0.1906475E-13 2 0.3140766E-14 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 12 5 0 0.1331397E-33 1 0.1030479E-13 2 0.4043197E-13 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 12 6 0 0.5714271E-14 1 0.7934818E-14 2 0.3852333E-13 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 12 7 0 0.5216654E-34 1 0.2220871E-14 2 0.1324070E-13 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 12 8 0 0.3648314E-34 1 0.2922585E-14 2 0.1801925E-13 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 12 9 0 0.2477678E-34 1 0.5759296E-13 2 0.2014626E-13 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 12 10 0 0.8676404E-35 1 0.6986430E-13 2 0.1783435E-13 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 12 11 0 0.1267719E-34 1 0.7128200E-13 2 0.1485155E-12 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 12 12 0 0.8588000E-13 1 0.2805216E-12 2 0.5462819E-12 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 0 0 0 0.6951999E-04 1 0.2851386E-04 2 0.4357508E-03 3 0.5626050E-03 4 0.8570409E-03 5 0.3706758E-03 6 0.5618739E-03 7 0.6497550E-05 8 0.2861542E-08 9 0.1377027E-10 v, j, mj = 1 2 -2 0 0.8166188E-32 1 0.2618171E-04 2 0.4503470E-04 3 0.2669336E-03 4 0.4401555E-03 5 0.8661574E-03 6 0.2571418E-03 7 0.2411322E-05 8 0.1315631E-09 9 0.1330225E-11 v, j, mj = 1 2 -1 0 0.3382219E-32 1 0.3200119E-04 2 0.9825998E-04 3 0.1237399E-03 4 0.2844317E-03 5 0.3883367E-03 6 0.2937173E-04 7 0.5039453E-07 8 0.5229513E-11 9 0.7307183E-12 v, j, mj = 1 2 0 0 0.2312504E-03 1 0.1598686E-03 2 0.3160384E-03 3 0.7732584E-04 4 0.1906062E-03 5 0.4945054E-04 6 0.3262821E-04 7 0.4637152E-06 8 0.4644891E-10 9 0.4219464E-12 v, j, mj = 1 2 1 0 0.3815598E-33 1 0.3200119E-04 2 0.9825998E-04 3 0.1237399E-03 4 0.2844317E-03 5 0.3883367E-03 6 0.2937173E-04 7 0.5039453E-07 8 0.5229513E-11 9 0.7307183E-12 v, j, mj = 1 2 2 0 0.2053916E-31 1 0.2618171E-04 2 0.4503470E-04 3 0.2669336E-03 4 0.4401555E-03 5 0.8661574E-03 6 0.2571418E-03 7 0.2411322E-05 8 0.1315631E-09 9 0.1330225E-11 v, j, mj = 1 4 -4 0 0.8449261E-32 1 0.5507321E-04 2 0.1610649E-03 3 0.9761417E-04 4 0.1176807E-03 5 0.6974849E-04 6 0.1724877E-05 7 0.3815525E-09 8 0.1467948E-11 9 0.0000000E+00 v, j, mj = 1 4 -3 0 0.1923199E-32 1 0.4095253E-04 2 0.7350114E-04 3 0.7125234E-04 4 0.1564724E-03 5 0.1695201E-04 6 0.1073383E-06 7 0.1587222E-10 8 0.1167887E-11 9 0.0000000E+00 v, j, mj = 1 4 -2 0 0.5570043E-32 1 0.1507577E-03 2 0.5769853E-04 3 0.1043856E-03 4 0.4838882E-04 5 0.4998458E-05 6 0.1069550E-06 7 0.6342089E-10 8 0.1247141E-11 9 0.0000000E+00 v, j, mj = 1 4 -1 0 0.5928787E-33 1 0.3982155E-05 2 0.1020809E-04 3 0.6167744E-05 4 0.9576409E-05 5 0.3060417E-05 6 0.4629758E-07 7 0.1969366E-10 8 0.1556751E-12 9 0.0000000E+00 v, j, mj = 1 4 0 0 0.3539590E-04 1 0.4299452E-04 2 0.1518969E-03 3 0.1352800E-04 4 0.7367791E-05 5 0.4378441E-05 6 0.8652525E-07 7 0.4483381E-10 8 0.3564336E-12 9 0.0000000E+00 v, j, mj = 1 4 1 0 0.1667423E-32 1 0.3982155E-05 2 0.1020809E-04 3 0.6167744E-05 4 0.9576409E-05 5 0.3060417E-05 6 0.4629758E-07 7 0.1969366E-10 8 0.1556751E-12 9 0.0000000E+00 v, j, mj = 1 4 2 0 0.2207254E-31 1 0.1507577E-03 2 0.5769853E-04 3 0.1043856E-03 4 0.4838882E-04 5 0.4998458E-05 6 0.1069550E-06 7 0.6342089E-10 8 0.1247141E-11 9 0.0000000E+00 v, j, mj = 1 4 3 0 0.2934319E-33 1 0.4095253E-04 2 0.7350114E-04 3 0.7125234E-04 4 0.1564724E-03 5 0.1695201E-04 6 0.1073383E-06 7 0.1587222E-10 8 0.1167887E-11 9 0.0000000E+00 v, j, mj = 1 4 4 0 0.1253826E-31 1 0.5507321E-04 2 0.1610649E-03 3 0.9761417E-04 4 0.1176807E-03 5 0.6974849E-04 6 0.1724877E-05 7 0.3815525E-09 8 0.1467948E-11 9 0.0000000E+00 v, j, mj = 1 6 -6 0 0.6030579E-05 1 0.1602334E-05 2 0.1306774E-03 3 0.9463718E-05 4 0.1597881E-05 5 0.2554156E-09 6 0.6078949E-11 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 6 -5 0 0.8895842E-34 1 0.1860630E-04 2 0.2413468E-04 3 0.1047767E-04 4 0.6318861E-07 5 0.6366234E-10 6 0.1676275E-11 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 6 -4 0 0.7565528E-33 1 0.1074271E-04 2 0.6391092E-05 3 0.1864184E-05 4 0.1791540E-07 5 0.7177546E-10 6 0.5766674E-12 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 6 -3 0 0.6367046E-33 1 0.3715938E-05 2 0.4510455E-06 3 0.1826156E-06 4 0.4065909E-08 5 0.5748067E-10 6 0.1184958E-11 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 6 -2 0 0.3667197E-33 1 0.6996667E-07 2 0.5883522E-07 3 0.3640104E-07 4 0.6031749E-08 5 0.6975536E-10 6 0.1322600E-11 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 6 -1 0 0.7931539E-33 1 0.9757975E-08 2 0.3801997E-06 3 0.6864875E-07 4 0.1374514E-07 5 0.8026628E-10 6 0.1216747E-11 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 6 0 0 0.1425668E-06 1 0.3378638E-06 2 0.3107029E-05 3 0.7353305E-07 4 0.6964483E-08 5 0.3666064E-10 6 0.7206378E-12 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 6 1 0 0.1413400E-33 1 0.9757975E-08 2 0.3801997E-06 3 0.6864875E-07 4 0.1374514E-07 5 0.8026628E-10 6 0.1216747E-11 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 6 2 0 0.2183922E-32 1 0.6996667E-07 2 0.5883522E-07 3 0.3640104E-07 4 0.6031749E-08 5 0.6975536E-10 6 0.1322600E-11 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 6 3 0 0.8209879E-34 1 0.3715938E-05 2 0.4510455E-06 3 0.1826156E-06 4 0.4065909E-08 5 0.5748067E-10 6 0.1184958E-11 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 6 4 0 0.1304358E-32 1 0.1074271E-04 2 0.6391092E-05 3 0.1864184E-05 4 0.1791540E-07 5 0.7177546E-10 6 0.5766674E-12 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 6 5 0 0.1850921E-33 1 0.1860630E-04 2 0.2413468E-04 3 0.1047767E-04 4 0.6318861E-07 5 0.6366234E-10 6 0.1676275E-11 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 6 6 0 0.6030579E-05 1 0.1602334E-05 2 0.1306774E-03 3 0.9463718E-05 4 0.1597881E-05 5 0.2554156E-09 6 0.6078949E-11 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 8 -8 0 0.7215919E-35 1 0.9711013E-09 2 0.4811355E-09 3 0.3775768E-10 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 8 -7 0 0.3571746E-34 1 0.6259614E-10 2 0.1858915E-09 3 0.3071295E-10 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 8 -6 0 0.4090293E-10 1 0.2733322E-10 2 0.2361984E-10 3 0.2410710E-11 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 8 -5 0 0.5607450E-34 1 0.8246470E-12 2 0.3286810E-11 3 0.1253618E-11 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 8 -4 0 0.3398524E-34 1 0.2551901E-11 2 0.1993996E-11 3 0.8161019E-12 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 8 -3 0 0.1470220E-34 1 0.1721712E-11 2 0.4344272E-12 3 0.2471656E-12 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 8 -2 0 0.6086715E-34 1 0.6648261E-13 2 0.1450222E-12 3 0.1586971E-12 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 8 -1 0 0.1561016E-33 1 0.2198349E-14 2 0.2440362E-12 3 0.8753433E-13 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 8 0 0 0.2286407E-12 1 0.5415685E-13 2 0.8762516E-12 3 0.1942584E-12 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 8 1 0 0.4820680E-34 1 0.2198349E-14 2 0.2440362E-12 3 0.8753433E-13 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 8 2 0 0.3581782E-33 1 0.6648261E-13 2 0.1450222E-12 3 0.1586971E-12 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 8 3 0 0.2345064E-34 1 0.1721712E-11 2 0.4344272E-12 3 0.2471656E-12 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 8 4 0 0.2040629E-34 1 0.2551901E-11 2 0.1993996E-11 3 0.8161019E-12 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 8 5 0 0.1144904E-34 1 0.8246470E-12 2 0.3286810E-11 3 0.1253618E-11 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 8 6 0 0.4090293E-10 1 0.2733322E-10 2 0.2361984E-10 3 0.2410710E-11 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 8 7 0 0.3207972E-34 1 0.6259614E-10 2 0.1858915E-09 3 0.3071295E-10 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 8 8 0 0.1506547E-33 1 0.9711013E-09 2 0.4811355E-09 3 0.3775768E-10 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 2 0 0 0 0.2411834E-06 1 0.1319824E-06 2 0.8571419E-07 3 0.6288316E-09 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 2 2 -2 0 0.4883758E-32 1 0.3550996E-08 2 0.9312219E-09 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 2 2 -1 0 0.3108112E-34 1 0.3877271E-10 2 0.1603151E-09 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 2 2 0 0 0.5616914E-09 1 0.1367638E-08 2 0.3231710E-09 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 2 2 1 0 0.2142849E-32 1 0.3877271E-10 2 0.1603151E-09 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 2 2 2 0 0.3613916E-33 1 0.3550996E-08 2 0.9312219E-09 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 sum of the probabilities = 0.2372346 average vibrational energy (ev) = 0.027954 average rotational energy (ev) = 0.146151 average diffraction energy (ev) = 0.217440 the reaction probability = 0.7627654D+00 etrans(icomin)= 0.400721 etrans(icomax)= 1.196820 etrans= 1.200000 CPU TIMES Total computation 434350.1649 (a) ... Propagating the wavefunction 433252.6516 (b) Setup time 87.1190 Saving the wave function for rerun 224.9577 Calculating averages 44.0630 Calculating and saving BK-coeffs 23.0588 Asymptotic analysis 53.2167 Saving the flux coefficients 0.0000 Flux analysis 0.0000 ----------------------------------------------------- Sum 433685.0667 (a) ... FFTs along X and Y 37225.7019 Kinetic energy operation along Z 98437.9143 Kinetic energy operation along r 89939.1873 Potential energy multiplication 65859.2361 Legengre transforms 116622.0749 Shifting the wavefunction 7511.8602 Kinetic energy multiplications (xy) 4030.0430 Absorbing the wavefunction 4709.9506 Projection formalism 52.5274 Operations on specular grid 0.2421 ----------------------------------------------------- Sum 424388.7380 (b) ... Potential initialisation time 0.0000 Potential setup time 44.8273 FFTs along X 20099.6675 FFTs along Y 17126.0344 Time spent on FGH for asympwf 0.5639 Ending date and time: Tue Nov 5 12:28:35 CET 2019