Starting date and time: Mon Jul 22 03:05:47 CEST 2019 Calculation run on nodes/processors: *** SPO-DVR program version 5.16 (Compiled using IFORT for X86 on Jul 5 2019 at 10:16:08) run on 20190722 at 030547.671 *** * 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 32 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): 0.48638932E+01 * The surface lattice constant in Y (bohr): 0.48638932E+01 * The asymptotic value in Z (bohr): 0.15117808E+02 * The cutoff value in r (bohr): 0.10000000E+04 * The unit cell skewing angle (degrees): 0.60000000E+02 * The unit cell point group: C3v 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: v0j5mj1-0.15eV-0.55eV * SystemID: CRPlibrary * 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: 198 * 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: 252 * Number of points on the scattering grid in r: 56 * 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.: 25 * Maximum Mj value in grid representation.: 25 * 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): 0.20000000E+05 * Time step used in the propagation (aut): 0.20000000E+01 * Number of time steps taken: 10000 * 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: 0.15000000E+00 * Highest energy of the initial wave packet: 0.55000000E+00 * Average position of the initial wave packet: 0.17400000E+02 * Initial rotational quantum number J: 5 * Initial rotational quantum number Mj: 1 * 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: 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): 0.18700000E+02 * Optical potential in Z absorbs optimally for (eV): 0.10000000E+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): 0.90500000E+01 * Optical potential in r absorbs optimally for (eV): 0.10000000E+00 * Using a quadratic optical potential on the specular grid in Z: * Optical potential in Z start at (bohr): 0.19800000E+02 * Optical potential in Z ends at (bohr): 0.24100000E+02 * Optical potential in Z specular absorbs optimally for (eV 0.80000000E-01 * 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: 5 * Mj in: 1 * Maximum J value in grid rep.: 25 * 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 = 26 ... * Setting up the angular grid module with JMax = 25 ... * The nearest size allowed by FFT routines ( 56 ) for phi grid will be used ... * Setting up the angular grid and basis functions... *** THE GRID PARAMETERS *** * Number of phi's : 56 * Delta value in phi coordinate : 0.112199737628207 * Number of theta's : 13 * JMax in basis set : 25 * JMin in basis set : 1 * Delta J in basis set : 2 * Grid has been set up for JIn = 5 , MjIn = 1 ... *** 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) = 0.317333 grid interval size in kz dir. (spec. grid) = 0.249333 initial momentum in z direction = 9.275865 grid interval size in kr dir. = 0.747998 grid interval size in kx dir. = 1.491644 initial momentum in reciprocal x direction = 0.000000 grid interval size in ky dir. = 1.491644 initial momentum in reciprocal y direction = 0.000000 For backward compatibility: nmoder = 4 asymptotic analysis at z = 15.200000 No flux analysis performed. nzpot = 162 optical potential in z scat.grid: nzchsp = 163 z(nzchsp)= 15.200000 optical potential in z scat.grid: nzchmx = 198 z(nzchmx)= 18.700000 optical potential in z spec.grid: nschsp = 209 z(nschsp)= 19.800000 optical potential in z spec.grid: nschmx = 252 z(nschmx)= 24.100000 optical potential in r scat.grid: nrchsp = 26 r(nrchsp)= 4.550000 optical potential in r scat.grid: nrchmx = 56 r(nrchmx)= 9.050000 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) = 0.150000 ectmax (ev) = 0.550000 Total time for potential initialisation = 0.39100647E-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 Cu111_B86SRP68-DF2_Z8A_C3v PES... Number of points in Z for which the potential is calculated = 162 Number of points in r for which the potential is calculated = 56 Number of points in x for which the potential is calculated = 20 Number of points in y for which the potential is calculated = 20 Number of points in theta for which the potential is calculated = 13 Number of points in phi for which the potential is calculated = 56 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 = 108 iz = 107 iz = 109 iz = 110 iz = 112 iz = 111 iz = 113 iz = 114 iz = 116 iz = 115 iz = 117 iz = 118 iz = 120 iz = 119 iz = 121 iz = 122 iz = 124 iz = 123 iz = 125 iz = 126 iz = 128 iz = 127 iz = 129 iz = 130 iz = 132 iz = 131 iz = 133 iz = 134 iz = 136 iz = 135 iz = 137 iz = 138 iz = 140 iz = 139 iz = 141 iz = 142 iz = 144 iz = 148 iz = 152 iz = 156 iz = 160 iz = 146 iz = 150 iz = 145 iz = 154 iz = 149 iz = 158 iz = 153 iz = 162 iz = 157 iz = 161 iz = 143 iz = 147 iz = 151 iz = 155 iz = 159 Saving Cu111_B86SRP68-DF2_Z8A_C3v PES into file : ./Cu111_B86SRP68-DF2_Z8A_C3v_162_-1.000_0.100_56_0.800_0.150_20_20_4.864_25_25. pes WARNING in routine SetupThePES in module Potential: vdvr contains more indices than can be represented by a four byte integer. Therefore the result of the inquiry 'SIZE(vdvr)' will be wrong! Program continues with dirty trick fix. Beware! * Imposing a maximum on the potential; vmax (eV) = 0.10000000E+02 Total time setting up the potential = 0.17014908E+04 secs ******************************************************************************** INFO FROM SETTING UP THE ROVIBARIONAL ASYMPTOTIC POTENTIAL ******************************************************************************** The gas phase vibrational potential for Z = 15.1178079086314 r(Bohr) V(eV) --------------------------------------------- 0.800000000000000 -0.614313158203822 0.950000000000000 -3.19102266083849 1.10000000000000 -4.45136825777271 1.25000000000000 -4.99984753548742 1.40000000000000 -5.15222895836725 1.55000000000000 -5.07205461356338 1.70000000000000 -4.85412985260776 1.85000000000000 -4.55365640658986 2.00000000000000 -4.20965954065202 2.15000000000000 -3.84476515750003 2.30000000000000 -3.47295832873381 2.45000000000000 -3.10772368458484 2.60000000000000 -2.75591917705669 2.75000000000000 -2.41910500293411 2.90000000000000 -2.09869395800417 3.05000000000000 -1.79612193194245 3.20000000000000 -1.51285210467923 3.35000000000000 -1.25033926714185 3.50000000000000 -1.00917613430596 3.65000000000000 -0.788439939242043 3.80000000000000 -0.587054085255137 3.95000000000000 -0.403941975650272 4.10000000000000 -0.238027013732485 4.25000000000000 -8.823260280680591E-002 4.40000000000000 -8.846257060213248E-013 4.55000000000000 -8.846257060213248E-013 4.70000000000000 -8.846257060213248E-013 4.85000000000000 -8.846257060213248E-013 5.00000000000000 -8.846257060213248E-013 5.15000000000000 -8.846257060213248E-013 5.30000000000000 -8.846257060213248E-013 5.45000000000000 -8.846257060213248E-013 5.60000000000000 -8.846257060213248E-013 5.75000000000000 -8.846257060213248E-013 5.90000000000000 -8.846257060213248E-013 6.05000000000000 -8.846257060213248E-013 6.20000000000000 -8.846257060213248E-013 6.35000000000000 -8.846257060213248E-013 6.50000000000000 -8.846257060213248E-013 6.65000000000000 -8.846257060213248E-013 6.80000000000000 -8.846257060213248E-013 6.95000000000000 -8.846257060213248E-013 7.10000000000000 -8.846257060213248E-013 7.25000000000000 -8.846257060213248E-013 7.40000000000000 -8.846257060213248E-013 7.55000000000000 -8.846257060213248E-013 7.70000000000000 -8.846257060213248E-013 7.85000000000000 -8.846257060213248E-013 8.00000000000000 -8.846257060213248E-013 8.15000000000000 -8.846257060213248E-013 8.30000000000000 -8.846257060213248E-013 8.45000000000000 -8.846257060213248E-013 8.60000000000000 -8.846257060213248E-013 8.75000000000000 -8.846257060213248E-013 8.90000000000000 -8.846257060213248E-013 9.05000000000000 -8.846257060213248E-013 * 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 -4.886560 -0.212570 0.1108407D-01 0.6766701D-03 1.0000000 1.4592222 0 1 -4.872088 -0.198098 0.1074900D-01 0.6544072D-03 1.0000000 1.4614064 0 2 -4.843277 -0.169286 0.1010829D-01 0.6120063D-03 1.0000000 1.4657641 0 3 -4.800385 -0.126395 0.9216637D-02 0.5533927D-03 1.0000000 1.4722741 0 4 -4.743793 -0.069803 0.8146544D-02 0.4837088D-03 1.0000000 1.4809057 0 5 -4.673990 0.000000 0.6978806D-02 0.4085885D-03 1.0000000 1.4916191 0 6 -4.591560 0.082430 0.5792699D-02 0.3334277D-03 1.0000000 1.5043673 0 7 -4.497167 0.176823 0.4657444D-02 0.2627771D-03 1.0000000 1.5190968 0 8 -4.391538 0.282452 0.3626184D-02 0.1999469D-03 1.0000000 1.5357497 0 9 -4.275447 0.398543 0.2733089D-02 0.1468600D-03 1.0000000 1.5542650 0 10 -4.149699 0.524291 0.1993548D-02 0.1041307D-03 1.0000000 1.5745804 0 11 -4.015115 0.658875 0.1406814D-02 0.7131162D-04 1.0000000 1.5966338 0 12 -3.872520 0.801470 0.9601839D-03 0.4722808D-04 1.0000000 1.6203649 0 13 -3.722731 0.951259 0.6336524D-03 0.3032238D-04 1.0000000 1.6457168 0 14 -3.566546 1.107445 0.4042006D-03 0.1895074D-04 1.0000000 1.6726370 0 15 -3.404739 1.269251 0.2491495D-03 0.1159880D-04 1.0000000 1.7010784 0 16 -3.238056 1.435934 0.1483557D-03 0.7007247D-05 1.0000000 1.7310003 0 17 -3.067207 1.606783 0.8530722D-04 0.4216678D-05 1.0000000 1.7623681 0 18 -2.892866 1.781124 0.4735220D-04 0.2552000D-05 1.0000000 1.7951540 0 19 -2.715668 1.958322 0.2535977D-04 0.1570764D-05 1.0000000 1.8293366 0 20 -2.536212 2.137778 0.1309290D-04 0.9984743D-06 1.0000000 1.8649010 0 21 -2.355055 2.318935 0.6506324D-05 0.6687072D-06 1.0000000 1.9018391 0 22 -2.172720 2.501270 0.3103067D-05 0.4784094D-06 1.0000000 1.9401511 0 23 -1.989692 2.684298 0.1413474D-05 0.3609022D-06 1.0000000 1.9798469 0 24 -1.806422 2.867568 0.6108915D-06 0.2730916D-06 1.0000000 2.0209484 0 25 -1.623330 3.050660 0.2496658D-06 0.1905184D-06 1.0000000 2.0634922 1 0 -4.377131 0.296860 0.2956956D-01 0.2094185D-02 1.0000000 1.5567653 1 1 -4.363394 0.310597 0.2872491D-01 0.2028557D-02 1.0000000 1.5589873 1 2 -4.336044 0.337946 0.2710458D-01 0.1903183D-02 1.0000000 1.5634221 1 3 -4.295327 0.378664 0.2483768D-01 0.1728998D-02 1.0000000 1.5700508 1 4 -4.241599 0.432391 0.2209741D-01 0.1520482D-02 1.0000000 1.5788466 1 5 -4.175323 0.498667 0.1908004D-01 0.1293749D-02 1.0000000 1.5897747 1 6 -4.097050 0.576940 0.1598258D-01 0.1064561D-02 1.0000000 1.6027943 1 7 -4.007410 0.666581 0.1298220D-01 0.8466080D-03 1.0000000 1.6178591 1 8 -3.907091 0.766900 0.1022065D-01 0.6502907D-03 1.0000000 1.6349192 1 9 -3.796830 0.877161 0.7795213D-02 0.4821432D-03 1.0000000 1.6539220 1 10 -3.677394 0.996596 0.5756893D-02 0.3448852D-03 1.0000000 1.6748131 1 11 -3.549570 1.124421 0.4114855D-02 0.2379758D-03 1.0000000 1.6975372 1 12 -3.414146 1.259844 0.2845305D-02 0.1584757D-03 1.0000000 1.7220385 1 13 -3.271907 1.402084 0.1902477D-02 0.1020129D-03 1.0000000 1.7482614 1 14 -3.123619 1.550372 0.1229541D-02 0.6367986D-04 1.0000000 1.7761507 1 15 -2.970025 1.703965 0.7677620D-03 0.3874540D-04 1.0000000 1.8056544 1 16 -2.811840 1.862150 0.4630331D-03 0.2312868D-04 1.0000000 1.8367256 1 17 -2.649741 2.024249 0.2696261D-03 0.1363161D-04 1.0000000 1.8693275 1 18 -2.484372 2.189618 0.1515515D-03 0.7964809D-05 1.0000000 1.9034382 1 19 -2.316341 2.357650 0.8220347D-04 0.4625799D-05 1.0000000 1.9390543 1 20 -2.146220 2.527770 0.4300803D-04 0.2699686D-05 1.0000000 1.9761940 1 21 -1.974553 2.699437 0.2167862D-04 0.1649070D-05 1.0000000 2.0148935 1 22 -1.801852 2.872138 0.1049672D-04 0.1143608D-05 1.0000000 2.0552011 1 23 -1.628604 3.045387 0.4849161D-05 0.9535120D-06 1.0000000 2.0971646 1 24 -1.455263 3.218727 0.2106913D-05 0.9041519D-06 1.0000000 2.1408178 1 25 -1.282253 3.391738 0.8363547D-06 0.8699011D-06 1.0000000 2.1861690 energy initial v,j state = -4.673990 potential energy = -5.011139 rotational energy = 0.207875 vibrational energy = 0.129274 rovibrational energy = 0.337149 expectation value r = 1.491619 ******************************************************************************** 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 ******************************************************************************** 351 rotation channels in basis (nrotw) * number of rotational states analysed, nana = 55 * initial rotational state in basis, ichn = 185 ******************************************************************************** INFO FROM SETTING UP THE ROTATION-DIFFRACTION BASIS ******************************************************************************** ***** rotation-diffraction channels in basis (nstatw) * Number of rotation-diffraction analysed, nstata = 14905 * Index of initial rot-dif channel in basis, inchna = 8673 ******************************************************************************** INFO FROM SETTING UP THE OPTICAL POTENTIALS ******************************************************************************** * Optical potential in Z absorbs with coefficient: 0.83111374E-02 * Optical potential in r absorbs with coefficient: 0.93569763E-02 * Optical potential in Z specular absorbs with coefficient: 0.64071284E-02 ******************************************************************************** INFO FROM SETTING UP THE GRID ENERGIES ******************************************************************************** * Maximum diffraction order included on the momentum grid = 0 * Number of diffraction channels included = 0 * Number of diffraction channels excluded = 0 * 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 0.20426229E-04 - at the end/beginning of the grid 0.20158188E-14 - maximum value = 0.52335254E+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 = 208 * 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 = 10 * Maximum v in analysis: nviba = 2 * 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 17.40000000 1.49161912 0.10000000E+01 0.50000000E+02 0.99999997 17.27377086 1.49162604 0.99999996E+00 0.10000000E+03 0.99999993 17.14754172 1.49163281 0.99999991E+00 0.15000000E+03 0.99999990 17.02131258 1.49163382 0.99999973E+00 0.20000000E+03 0.99999986 16.89508344 1.49163345 0.99999844E+00 0.25000000E+03 0.99999983 16.76885430 1.49163175 0.99998972E+00 0.30000000E+03 0.99999979 16.64262516 1.49162542 0.99993915E+00 0.35000000E+03 0.99999976 16.51639602 1.49161944 0.99969706E+00 0.40000000E+03 0.99999972 16.39016687 1.49162630 0.99874770E+00 0.45000000E+03 0.99999969 16.26393773 1.49163397 0.99569651E+00 0.50000000E+03 0.99999965 16.13770858 1.49163404 0.98760698E+00 0.55000000E+03 0.99999962 16.01147941 1.49163297 0.96972233E+00 0.60000000E+03 0.99999959 15.88525016 1.49163077 0.93629591E+00 0.65000000E+03 0.99999955 15.75902072 1.49162486 0.88265966E+00 0.70000000E+03 0.99999952 15.63279086 1.49161994 0.80756244E+00 0.75000000E+03 0.99999948 15.50656013 1.49162651 0.71431835E+00 0.80000000E+03 0.99999945 15.38032789 1.49163529 0.61002982E+00 0.85000000E+03 0.99999941 15.25409318 1.49163398 0.50340967E+00 0.90000000E+03 0.99999938 15.12785481 1.49163241 0.40241919E+00 0.95000000E+03 0.99999934 15.00161134 1.49162985 0.31270916E+00 0.10000000E+04 0.99999931 14.87536121 1.49162435 0.23716166E+00 0.10500000E+04 0.99999927 14.74910281 1.49162049 0.17627124E+00 0.11000000E+04 0.99999924 14.62283452 1.49162698 0.12890996E+00 0.11500000E+04 0.99999920 14.49655481 1.49163621 0.93104718E-01 0.12000000E+04 0.99999917 14.37026219 1.49163425 0.66633341E-01 0.12500000E+04 0.99999914 14.24395527 1.49163180 0.47394688E-01 0.13000000E+04 0.99999910 14.11763267 1.49162940 0.33589128E-01 0.13500000E+04 0.99999907 13.99129299 1.49162496 0.23771115E-01 0.14000000E+04 0.99999903 13.86493477 1.49162296 0.16829997E-01 0.14500000E+04 0.99999900 13.73855640 1.49163103 0.11939064E-01 0.15000000E+04 0.99999896 13.61215611 1.49164258 0.84968574E-02 0.15500000E+04 0.99999893 13.48573185 1.49164396 0.60728862E-02 0.16000000E+04 0.99999889 13.35928128 1.49164484 0.43625335E-02 0.16500000E+04 0.99999886 13.23280170 1.49164980 0.31518903E-02 0.17000000E+04 0.99999882 13.10629007 1.49165400 0.22914434E-02 0.17500000E+04 0.99999879 12.97974293 1.49166370 0.16769315E-02 0.18000000E+04 0.99999875 12.85315643 1.49168467 0.12356802E-02 0.18500000E+04 0.99999872 12.72652635 1.49171066 0.91697976E-03 0.19000000E+04 0.99999869 12.59984813 1.49172872 0.68536654E-03 0.19500000E+04 0.99999865 12.47311687 1.49174663 0.51595992E-03 0.20000000E+04 0.99999862 12.34632744 1.49177222 0.39123464E-03 0.20500000E+04 0.99999858 12.21947447 1.49179778 0.29879137E-03 0.21000000E+04 0.99999855 12.09255243 1.49183029 0.22981271E-03 0.21500000E+04 0.99999851 11.96555563 1.49187311 0.17799588E-03 0.22000000E+04 0.99999848 11.83847827 1.49192061 0.13881035E-03 0.22500000E+04 0.99999844 11.71131446 1.49195984 0.10898052E-03 0.23000000E+04 0.99999841 11.58405822 1.49199708 0.86124781E-04 0.23500000E+04 0.99999837 11.45670352 1.49204248 0.68500116E-04 0.24000000E+04 0.99999834 11.32924425 1.49208752 0.54823685E-04 0.24500000E+04 0.99999830 11.20167422 1.49213755 0.44145498E-04 0.25000000E+04 0.99999827 11.07398725 1.49219678 0.35757850E-04 0.25500000E+04 0.99999824 10.94617708 1.49225850 0.29130438E-04 0.26000000E+04 0.99999820 10.81823749 1.49231133 0.23863609E-04 0.26500000E+04 0.99999817 10.69016231 1.49236100 0.19654231E-04 0.27000000E+04 0.99999813 10.56194548 1.49241876 0.16272004E-04 0.27500000E+04 0.99999810 10.43358112 1.49247742 0.13539794E-04 0.28000000E+04 0.99999806 10.30506365 1.49253935 0.11321336E-04 0.28500000E+04 0.99999803 10.17638793 1.49261140 0.95110648E-05 0.29000000E+04 0.99999799 10.04754936 1.49268467 0.80267573E-05 0.29500000E+04 0.99999796 9.91854409 1.49275110 0.68038266E-05 0.30000000E+04 0.99999792 9.78936925 1.49281475 0.57920875E-05 0.30500000E+04 0.99999789 9.66002315 1.49288888 0.49512612E-05 0.31000000E+04 0.99999785 9.53050557 1.49296816 0.42495148E-05 0.31500000E+04 0.99999782 9.40081807 1.49305191 0.36614289E-05 0.32000000E+04 0.99999778 9.27096433 1.49315007 0.31666280E-05 0.32500000E+04 0.99999775 9.14095056 1.49325368 0.27487093E-05 0.33000000E+04 0.99999771 9.01078588 1.49335709 0.23943956E-05 0.33500000E+04 0.99999768 8.88048282 1.49346531 0.20928777E-05 0.34000000E+04 0.99999764 8.75005779 1.49359399 0.18353256E-05 0.34500000E+04 0.99999761 8.61953162 1.49374084 0.16145261E-05 0.35000000E+04 0.99999757 8.48893015 1.49390531 0.14245924E-05 0.35500000E+04 0.99999753 8.35828476 1.49409989 0.12604689E-05 0.36000000E+04 0.99999750 8.22763306 1.49432013 0.11186420E-05 0.36500000E+04 0.99999746 8.09701947 1.49456241 0.99551773E-06 0.37000000E+04 0.99999742 7.96649586 1.49483693 0.88828546E-06 0.37500000E+04 0.99999739 7.83612222 1.49516077 0.79460550E-06 0.38000000E+04 0.99999735 7.70596722 1.49553859 0.71254800E-06 0.38500000E+04 0.99999731 7.57610882 1.49597013 0.64051301E-06 0.39000000E+04 0.99999727 7.44663479 1.49647009 0.57714596E-06 0.39500000E+04 0.99999723 7.31764316 1.49704030 0.52107209E-06 0.40000000E+04 0.99999719 7.18924264 1.49767610 0.47169367E-06 0.40500000E+04 0.99999714 7.06155287 1.49839043 0.42792587E-06 0.41000000E+04 0.99999709 6.93470459 1.49919749 0.38901689E-06 0.41500000E+04 0.99999704 6.80883968 1.50010238 0.35431839E-06 0.42000000E+04 0.99999698 6.68411104 1.50109864 0.32328243E-06 0.42500000E+04 0.99999690 6.56068230 1.50219282 0.29546809E-06 0.43000000E+04 0.99999681 6.43872744 1.50338140 0.27053342E-06 0.43500000E+04 0.99999669 6.31843019 1.50464928 0.24800667E-06 0.44000000E+04 0.99999653 6.19998332 1.50599550 0.22801051E-06 0.44500000E+04 0.99999632 6.08358776 1.50742017 0.21006247E-06 0.45000000E+04 0.99999604 5.96945162 1.50891380 0.19388096E-06 0.45500000E+04 0.99999568 5.85778905 1.51045573 0.17921918E-06 0.46000000E+04 0.99999520 5.74881904 1.51203231 0.16588598E-06 0.46500000E+04 0.99999457 5.64276406 1.51362799 0.15373831E-06 0.47000000E+04 0.99999377 5.53984874 1.51521542 0.14265955E-06 0.47500000E+04 0.99999275 5.44029839 1.51677801 0.13254548E-06 0.48000000E+04 0.99999147 5.34433753 1.51830614 0.12330590E-06 0.48500000E+04 0.99998989 5.25218831 1.51978228 0.11487029E-06 0.49000000E+04 0.99998796 5.16406899 1.52118403 0.10718209E-06 0.49500000E+04 0.99998563 5.08019230 1.52249270 0.99976316E-07 0.50000000E+04 0.99998287 5.00076387 1.52369496 0.93600048E-07 0.50500000E+04 0.99997963 4.92598067 1.52477091 0.87765046E-07 0.51000000E+04 0.99997589 4.85602940 1.52570987 0.82391433E-07 0.51500000E+04 0.99997163 4.79108497 1.52651189 0.77415282E-07 0.52000000E+04 0.99996683 4.73130902 1.52717463 0.72792726E-07 0.52500000E+04 0.99996150 4.67684856 1.52769393 0.68494957E-07 0.53000000E+04 0.99995566 4.62783469 1.52806752 0.64494086E-07 0.53500000E+04 0.99994935 4.58438157 1.52829699 0.60768002E-07 0.54000000E+04 0.99994262 4.54658559 1.52837930 0.57298948E-07 0.54500000E+04 0.99993552 4.51452470 1.52831424 0.54068281E-07 0.55000000E+04 0.99992814 4.48825793 1.52811010 0.51080140E-07 0.55500000E+04 0.99992057 4.46782522 1.52777567 0.48128018E-07 0.56000000E+04 0.99991290 4.45324726 1.52731947 0.45572974E-07 0.56500000E+04 0.99990522 4.44452574 1.52675220 0.43232755E-07 0.57000000E+04 0.99989762 4.44164363 1.52608557 0.41060045E-07 0.57500000E+04 0.99989020 4.44456587 1.52532760 0.39005612E-07 0.58000000E+04 0.99988302 4.45324011 1.52448397 0.37124462E-07 0.58500000E+04 0.99987615 4.46759769 1.52356414 0.35355714E-07 0.59000000E+04 0.99986965 4.48755467 1.52257792 0.33630190E-07 0.59500000E+04 0.99986354 4.51301299 1.52153531 0.32074476E-07 0.60000000E+04 0.99985785 4.54386153 1.52044865 0.30647597E-07 0.60500000E+04 0.99985260 4.57997730 1.51933100 0.29134800E-07 0.61000000E+04 0.99984779 4.62122662 1.51819293 0.27640662E-07 0.61500000E+04 0.99984342 4.66746631 1.51704111 0.26503742E-07 0.62000000E+04 0.99983949 4.71854502 1.51588192 0.25365832E-07 0.62500000E+04 0.99983597 4.77430457 1.51472078 0.23926347E-07 0.63000000E+04 0.99983284 4.83458122 1.51356297 0.22583057E-07 0.63500000E+04 0.99983007 4.89920697 1.51241621 0.22516396E-07 0.64000000E+04 0.99982764 4.96801067 1.51128947 0.22107693E-07 0.64500000E+04 0.99982551 5.04081908 1.51019010 0.19956136E-07 0.65000000E+04 0.99982364 5.11745782 1.50912203 0.19628217E-07 0.65500000E+04 0.99982200 5.19775224 1.50808690 0.22373281E-07 0.66000000E+04 0.99982055 5.28152834 1.50708475 0.22654141E-07 0.66500000E+04 0.99981928 5.36861352 1.50611514 0.20330200E-07 ==> ZAnalysis on specular channel fixed at Z = 0.16800000E+02 0.67000000E+04 0.99981814 5.45883741 1.50517982 0.23579613E-07 0.67500000E+04 0.99981711 5.55203252 1.50428205 0.31949849E-07 0.68000000E+04 0.99981617 5.64803486 1.50342448 0.35810137E-07 0.68500000E+04 0.99981528 5.74668444 1.50260767 0.35305237E-07 0.69000000E+04 0.99981443 5.84782570 1.50183018 0.40842874E-07 0.69500000E+04 0.99981358 5.95130784 1.50108958 0.55589416E-07 0.70000000E+04 0.99981270 6.05698510 1.50038362 0.71842496E-07 0.70500000E+04 0.99981174 6.16471697 1.49971205 0.82982845E-07 0.71000000E+04 0.99981066 6.27436835 1.49907593 0.95314788E-07 0.71500000E+04 0.99980940 6.38580962 1.49847559 0.12883498E-06 0.72000000E+04 0.99980787 6.49891672 1.49790964 0.19836929E-06 0.72500000E+04 0.99980598 6.61357103 1.49737510 0.29539162E-06 0.73000000E+04 0.99980361 6.72965937 1.49686875 0.40918564E-06 0.73500000E+04 0.99980058 6.84707381 1.49638862 0.56584466E-06 0.74000000E+04 0.99979669 6.96571151 1.49593488 0.81665814E-06 0.74500000E+04 0.99979163 7.08547442 1.49550867 0.11822653E-05 0.75000000E+04 0.99978499 7.20626895 1.49510991 0.16379837E-05 0.75500000E+04 0.99977622 7.32800557 1.49473633 0.21716744E-05 0.76000000E+04 0.99976459 7.45059822 1.49438412 0.28386640E-05 0.76500000E+04 0.99974907 7.57396371 1.49404994 0.37370114E-05 0.77000000E+04 0.99972835 7.69802101 1.49373280 0.49281860E-05 0.77500000E+04 0.99970067 7.82269039 1.49343404 0.64067852E-05 0.78000000E+04 0.99966376 7.94789261 1.49315548 0.81750580E-05 0.78500000E+04 0.99961472 8.07354796 1.49289705 0.10345222E-04 0.79000000E+04 0.99954991 8.19957539 1.49265589 0.13132629E-04 0.79500000E+04 0.99946480 8.32589161 1.49242784 0.16714327E-04 0.80000000E+04 0.99935390 8.45241026 1.49220994 0.21124701E-04 0.80500000E+04 0.99921060 8.57904131 1.49200240 0.26373953E-04 0.81000000E+04 0.99902711 8.70569057 1.49180782 0.32713267E-04 0.81500000E+04 0.99879440 8.83225957 1.49162887 0.40764352E-04 0.82000000E+04 0.99850220 8.95864566 1.49146566 0.51426472E-04 0.82500000E+04 0.99813898 9.08474260 1.49131507 0.65852391E-04 0.83000000E+04 0.99769211 9.21044144 1.49117264 0.85796774E-04 0.83500000E+04 0.99714794 9.33563171 1.49103569 0.11419389E-03 0.84000000E+04 0.99649201 9.46020297 1.49090515 0.15548502E-03 0.84500000E+04 0.99570928 9.58404636 1.49078442 0.21547032E-03 0.85000000E+04 0.99478432 9.70705619 1.49067642 0.30103894E-03 0.85500000E+04 0.99370158 9.82913144 1.49058124 0.42027762E-03 0.86000000E+04 0.99244557 9.95017687 1.49049581 0.58296067E-03 0.86500000E+04 0.99100104 10.07010399 1.49041619 0.80084603E-03 0.87000000E+04 0.98935313 10.18883159 1.49034079 0.10872914E-02 0.87500000E+04 0.98748751 10.30628612 1.49027167 0.14563879E-02 0.88000000E+04 0.98539049 10.42240189 1.49021258 0.19222767E-02 0.88500000E+04 0.98304913 10.53712133 1.49016541 0.24991175E-02 0.89000000E+04 0.98045146 10.65039522 1.49012799 0.32014234E-02 0.89500000E+04 0.97758660 10.76218321 1.49009483 0.40440450E-02 0.90000000E+04 0.97444504 10.87245443 1.49006063 0.50413892E-02 0.90500000E+04 0.97101888 10.98118837 1.49002471 0.62061627E-02 0.91000000E+04 0.96730215 11.08837581 1.48999235 0.75482386E-02 0.91500000E+04 0.96329110 11.19401978 1.48997153 0.90741077E-02 0.92000000E+04 0.95898445 11.29813648 1.48996758 0.10787023E-01 0.92500000E+04 0.95438363 11.40075593 1.48997940 0.12687398E-01 0.93000000E+04 0.94949296 11.50192225 1.48999946 0.14773062E-01 0.93500000E+04 0.94431965 11.60169361 1.49001794 0.17039243E-01 0.94000000E+04 0.93887373 11.70014140 1.49002876 0.19478270E-01 0.94500000E+04 0.93316780 11.79734891 1.49003300 0.22079435E-01 0.95000000E+04 0.92721667 11.89340935 1.49003725 0.24829338E-01 0.95500000E+04 0.92103679 11.98842320 1.49004891 0.27712431E-01 0.96000000E+04 0.91464570 12.08249540 1.49007190 0.30711600E-01 0.96500000E+04 0.90806138 12.17573225 1.49010521 0.33808652E-01 0.97000000E+04 0.90130173 12.26823864 1.49014478 0.36984478E-01 0.97500000E+04 0.89438406 12.36011578 1.49018719 0.40219207E-01 0.98000000E+04 0.88732486 12.45145950 1.49023142 0.43492317E-01 0.98500000E+04 0.88013960 12.54235944 1.49027728 0.46782618E-01 0.99000000E+04 0.87284279 12.63289884 1.49032291 0.50068573E-01 0.99500000E+04 0.86544803 12.72315482 1.49036454 0.53328935E-01 0.10000000E+05 0.85796816 12.81319897 1.49039886 0.56543301E-01 0.10050000E+05 0.85041540 12.90309771 1.49042665 0.59692680E-01 0.10100000E+05 0.84280135 12.99291256 1.49045450 0.62759791E-01 0.10150000E+05 0.83513699 13.08269986 1.49049194 0.65729212E-01 0.10200000E+05 0.82743255 13.17251023 1.49054469 0.68587466E-01 0.10250000E+05 0.81969736 13.26238760 1.49060973 0.71322806E-01 0.10300000E+05 0.81193969 13.35236826 1.49067621 0.73924746E-01 0.10350000E+05 0.80416656 13.44247985 1.49073169 0.76383716E-01 0.10400000E+05 0.79638371 13.53274054 1.49076990 0.78690744E-01 0.10450000E+05 0.78859553 13.62315858 1.49079469 0.80837562E-01 0.10500000E+05 0.78080510 13.71373213 1.49081733 0.82817193E-01 0.10550000E+05 0.77301427 13.80444934 1.49084855 0.84624591E-01 0.10600000E+05 0.76522376 13.89528875 1.49089207 0.86256957E-01 0.10650000E+05 0.75743328 13.98621986 1.49094385 0.87713470E-01 0.10700000E+05 0.74964166 14.07720372 1.49099602 0.88994587E-01 0.10750000E+05 0.74184694 14.16819375 1.49104228 0.90101502E-01 0.10800000E+05 0.73404648 14.25913641 1.49108102 0.91035946E-01 0.10850000E+05 0.72623704 14.34997210 1.49111417 0.91800260E-01 0.10900000E+05 0.71841492 14.44063598 1.49114354 0.92397647E-01 0.10950000E+05 0.71057603 14.53105893 1.49116937 0.92832177E-01 0.11000000E+05 0.70271599 14.62116850 1.49119191 0.93108520E-01 0.11050000E+05 0.69483026 14.71088982 1.49121335 0.93231768E-01 0.11100000E+05 0.68691426 14.80014654 1.49123792 0.93207593E-01 0.11150000E+05 0.67896341 14.88886175 1.49126956 0.93042511E-01 0.11200000E+05 0.67097330 14.97695878 1.49130828 0.92743900E-01 0.11250000E+05 0.66293974 15.06436207 1.49134816 0.92319598E-01 0.11300000E+05 0.65485888 15.15099788 1.49138011 0.91777490E-01 0.11350000E+05 0.64672729 15.23679501 1.49139802 0.91125273E-01 0.11400000E+05 0.63854203 15.32168552 1.49140300 0.90370448E-01 0.11450000E+05 0.63030076 15.40560523 1.49140340 0.89520325E-01 0.11500000E+05 0.62200175 15.48849432 1.49141036 0.88581990E-01 0.11550000E+05 0.61364395 15.57029772 1.49143078 0.87562140E-01 0.11600000E+05 0.60522700 15.65096535 1.49146229 0.86467043E-01 0.11650000E+05 0.59675123 15.73045234 1.49149469 0.85302695E-01 0.11700000E+05 0.58821764 15.80871903 1.49151703 0.84075246E-01 0.11750000E+05 0.57962787 15.88573087 1.49152446 0.82791260E-01 0.11800000E+05 0.57098417 15.96145828 1.49152137 0.81457505E-01 0.11850000E+05 0.56228936 16.03587637 1.49151882 0.80080404E-01 0.11900000E+05 0.55354677 16.10896475 1.49152671 0.78665687E-01 0.11950000E+05 0.54476020 16.18070724 1.49154622 0.77218451E-01 0.12000000E+05 0.53593394 16.25109162 1.49156906 0.75743457E-01 0.12050000E+05 0.52707265 16.32010945 1.49158421 0.74245347E-01 0.12100000E+05 0.51818140 16.38775582 1.49158600 0.72728657E-01 0.12150000E+05 0.50926561 16.45402919 1.49157823 0.71197640E-01 0.12200000E+05 0.50033097 16.51893118 1.49157201 0.69656112E-01 0.12250000E+05 0.49138346 16.58246635 1.49157745 0.68107458E-01 0.12300000E+05 0.48242927 16.64464201 1.49159547 0.66554839E-01 0.12350000E+05 0.47347475 16.70546797 1.49161719 0.65001395E-01 0.12400000E+05 0.46452637 16.76495627 1.49163111 0.63450221E-01 0.12450000E+05 0.45559066 16.82312098 1.49163108 0.61904225E-01 0.12500000E+05 0.44667421 16.87997793 1.49161978 0.60366007E-01 0.12550000E+05 0.43778359 16.93554451 1.49160710 0.58837889E-01 0.12600000E+05 0.42892531 16.98983949 1.49160322 0.57321986E-01 0.12650000E+05 0.42010583 17.04288282 1.49161130 0.55820241E-01 0.12700000E+05 0.41133151 17.09469555 1.49162632 0.54334428E-01 0.12750000E+05 0.40260855 17.14529965 1.49164036 0.52866169E-01 0.12800000E+05 0.39394304 17.19471793 1.49164780 0.51416923E-01 0.12850000E+05 0.38534087 17.24297388 1.49164714 0.49987956E-01 0.12900000E+05 0.37680773 17.29009162 1.49164141 0.48580344E-01 0.12950000E+05 0.36834913 17.33609573 1.49163562 0.47195016E-01 0.13000000E+05 0.35997031 17.38101111 1.49163237 0.45832797E-01 0.13050000E+05 0.35167628 17.42486290 1.49163129 0.44494428E-01 0.13100000E+05 0.34347179 17.46767628 1.49163235 0.43180573E-01 0.13150000E+05 0.33536133 17.50947644 1.49163664 0.41891833E-01 0.13200000E+05 0.32734908 17.55028843 1.49164378 0.40628715E-01 0.13250000E+05 0.31943896 17.59013713 1.49165170 0.39391613E-01 0.13300000E+05 0.31163461 17.62904712 1.49165755 0.38180814E-01 0.13350000E+05 0.30393935 17.66704272 1.49165742 0.36996522E-01 0.13400000E+05 0.29635625 17.70414786 1.49164926 0.35838881E-01 0.13450000E+05 0.28888806 17.74038610 1.49163738 0.34707986E-01 0.13500000E+05 0.28153728 17.77578054 1.49163015 0.33603882E-01 0.13550000E+05 0.27430611 17.81035385 1.49163242 0.32526557E-01 0.13600000E+05 0.26719648 17.84412818 1.49164280 0.31475920E-01 0.13650000E+05 0.26021006 17.87712519 1.49165590 0.30451826E-01 0.13700000E+05 0.25334828 17.90936596 1.49166378 0.29454122E-01 0.13750000E+05 0.24661229 17.94087105 1.49166064 0.28482653E-01 0.13800000E+05 0.24000301 17.97166042 1.49164921 0.27537240E-01 0.13850000E+05 0.23352114 18.00175345 1.49163830 0.26617643E-01 0.13900000E+05 0.22716714 18.03116893 1.49163413 0.25723550E-01 0.13950000E+05 0.22094127 18.05992504 1.49163755 0.24854604E-01 0.14000000E+05 0.21484359 18.08803941 1.49164646 0.24010435E-01 0.14050000E+05 0.20887397 18.11552908 1.49165516 0.23190663E-01 0.14100000E+05 0.20303211 18.14241055 1.49165709 0.22394877E-01 0.14150000E+05 0.19731752 18.16869976 1.49165218 0.21622630E-01 0.14200000E+05 0.19172957 18.19441217 1.49164596 0.20873458E-01 0.14250000E+05 0.18626750 18.21956274 1.49164209 0.20146911E-01 0.14300000E+05 0.18093039 18.24416592 1.49164139 0.19442557E-01 0.14350000E+05 0.17571720 18.26823574 1.49164436 0.18759950E-01 0.14400000E+05 0.17062678 18.29178573 1.49164832 0.18098611E-01 0.14450000E+05 0.16565786 18.31482899 1.49164840 0.17458040E-01 0.14500000E+05 0.16080909 18.33737817 1.49164546 0.16837740E-01 0.14550000E+05 0.15607902 18.35944547 1.49164459 0.16237227E-01 0.14600000E+05 0.15146610 18.38104269 1.49164642 0.15656013E-01 0.14650000E+05 0.14696875 18.40218117 1.49164809 0.15093622E-01 0.14700000E+05 0.14258529 18.42287187 1.49164869 0.14549612E-01 0.14750000E+05 0.13831399 18.44312537 1.49164694 0.14023587E-01 0.14800000E+05 0.13415309 18.46295187 1.49164119 0.13515150E-01 0.14850000E+05 0.13010074 18.48236124 1.49163638 0.13023865E-01 0.14900000E+05 0.12615512 18.50136302 1.49163937 0.12549258E-01 0.14950000E+05 0.12231432 18.51996645 1.49164757 0.12090858E-01 0.15000000E+05 0.11857643 18.53818048 1.49165320 0.11648216E-01 0.15050000E+05 0.11493953 18.55601381 1.49165304 0.11220879E-01 0.15100000E+05 0.11140166 18.57347487 1.49164691 0.10808376E-01 0.15150000E+05 0.10796088 18.59057184 1.49163624 0.10410243E-01 0.15200000E+05 0.10461521 18.60731267 1.49162948 0.10026050E-01 0.15250000E+05 0.10136268 18.62370507 1.49163485 0.96554015E-02 0.15300000E+05 0.09820133 18.63975654 1.49164731 0.92978937E-02 0.15350000E+05 0.09512919 18.65547435 1.49165578 0.89531014E-02 0.15400000E+05 0.09214431 18.67086556 1.49165582 0.86206057E-02 0.15450000E+05 0.08924474 18.68593704 1.49164749 0.83000145E-02 0.15500000E+05 0.08642853 18.70069549 1.49163363 0.79909485E-02 0.15550000E+05 0.08369378 18.71514742 1.49162490 0.76930125E-02 0.15600000E+05 0.08103856 18.72929917 1.49163082 0.74058039E-02 0.15650000E+05 0.07846101 18.74315693 1.49164548 0.71289467E-02 0.15700000E+05 0.07595924 18.75672676 1.49165631 0.68621044E-02 0.15750000E+05 0.07353142 18.77001455 1.49165792 0.66049619E-02 0.15800000E+05 0.07117572 18.78302606 1.49164915 0.63572003E-02 0.15850000E+05 0.06889034 18.79576694 1.49163295 0.61185002E-02 0.15900000E+05 0.06667351 18.80824266 1.49162213 0.58885592E-02 0.15950000E+05 0.06452348 18.82045861 1.49162776 0.56670924E-02 0.16000000E+05 0.06243853 18.83242002 1.49164328 0.54538230E-02 0.16050000E+05 0.06041696 18.84413201 1.49165517 0.52484760E-02 0.16100000E+05 0.05845710 18.85559957 1.49165789 0.50507826E-02 0.16150000E+05 0.05655733 18.86682760 1.49164971 0.48604815E-02 0.16200000E+05 0.05471604 18.87782088 1.49163346 0.46773120E-02 0.16250000E+05 0.05293163 18.88858408 1.49162277 0.45010171E-02 0.16300000E+05 0.05120257 18.89912179 1.49162828 0.43313529E-02 0.16350000E+05 0.04952734 18.90943848 1.49164228 0.41680919E-02 0.16400000E+05 0.04790445 18.91953855 1.49165189 0.40110114E-02 0.16450000E+05 0.04633243 18.92942629 1.49165394 0.38598810E-02 0.16500000E+05 0.04480987 18.93910588 1.49164754 0.37144700E-02 0.16550000E+05 0.04333536 18.94858142 1.49163439 0.35745636E-02 0.16600000E+05 0.04190753 18.95785691 1.49162652 0.34399653E-02 0.16650000E+05 0.04052504 18.96693625 1.49163260 0.33104833E-02 0.16700000E+05 0.03918660 18.97582324 1.49164384 0.31859183E-02 0.16750000E+05 0.03789091 18.98452161 1.49164902 0.30660703E-02 0.16800000E+05 0.03663673 18.99303498 1.49164808 0.29507527E-02 0.16850000E+05 0.03542284 19.00136689 1.49164201 0.28397961E-02 0.16900000E+05 0.03424804 19.00952081 1.49163236 0.27330406E-02 0.16950000E+05 0.03311119 19.01750013 1.49162964 0.26303293E-02 0.17000000E+05 0.03201113 19.02530817 1.49163920 0.25315125E-02 0.17050000E+05 0.03094678 19.03294819 1.49164961 0.24364515E-02 0.17100000E+05 0.02991704 19.04042342 1.49165023 0.23450144E-02 0.17150000E+05 0.02892087 19.04773699 1.49164385 0.22570675E-02 0.17200000E+05 0.02795725 19.05489201 1.49163462 0.21724719E-02 0.17250000E+05 0.02702518 19.06189154 1.49162610 0.20910885E-02 0.17300000E+05 0.02612368 19.06873856 1.49162861 0.20127881E-02 0.17350000E+05 0.02525182 19.07543602 1.49164410 0.19374575E-02 0.17400000E+05 0.02440868 19.08198683 1.49165729 0.18649988E-02 0.17450000E+05 0.02359335 19.08839382 1.49165647 0.17953213E-02 0.17500000E+05 0.02280497 19.09465977 1.49164536 0.17283301E-02 0.17550000E+05 0.02204269 19.10078740 1.49163028 0.16639192E-02 0.17600000E+05 0.02130568 19.10677935 1.49161821 0.16019769E-02 0.17650000E+05 0.02059316 19.11263821 1.49162211 0.15423971E-02 0.17700000E+05 0.01990433 19.11836647 1.49164300 0.14850881E-02 0.17750000E+05 0.01923844 19.12396657 1.49166202 0.14299726E-02 0.17800000E+05 0.01859476 19.12944086 1.49166485 0.13769818E-02 0.17850000E+05 0.01797257 19.13479165 1.49165320 0.13260485E-02 0.17900000E+05 0.01737118 19.14002115 1.49163302 0.12770986E-02 0.17950000E+05 0.01678992 19.14513155 1.49161413 0.12300451E-02 0.18000000E+05 0.01622814 19.15012493 1.49161383 0.11847909E-02 0.18050000E+05 0.01568520 19.15500333 1.49163550 0.11412446E-02 0.18100000E+05 0.01516049 19.15976874 1.49165956 0.10993370E-02 0.18150000E+05 0.01465341 19.16442306 1.49166955 0.10590228E-02 0.18200000E+05 0.01416338 19.16896818 1.49166340 0.10202641E-02 0.18250000E+05 0.01368985 19.17340594 1.49164317 0.98301173E-03 0.18300000E+05 0.01323227 19.17773814 1.49161842 0.94720183E-03 0.18350000E+05 0.01279012 19.18196656 1.49160987 0.91276481E-03 0.18400000E+05 0.01236288 19.18609291 1.49162574 0.87963496E-03 0.18450000E+05 0.01195007 19.19011889 1.49164980 0.84775193E-03 0.18500000E+05 0.01155120 19.19404616 1.49166626 0.81705867E-03 0.18550000E+05 0.01116580 19.19787634 1.49166975 0.78750286E-03 0.18600000E+05 0.01079344 19.20161105 1.49165624 0.75904173E-03 0.18650000E+05 0.01043368 19.20525188 1.49163114 0.73164477E-03 0.18700000E+05 0.01008608 19.20880039 1.49161500 0.70528974E-03 0.18750000E+05 0.00975026 19.21225807 1.49162018 0.67995333E-03 0.18800000E+05 0.00942581 19.21562640 1.49163700 0.65560136E-03 0.18850000E+05 0.00911234 19.21890677 1.49165457 0.63218445E-03 0.18900000E+05 0.00880950 19.22210056 1.49166748 0.60964257E-03 0.18950000E+05 0.00851692 19.22520910 1.49166594 0.58791688E-03 0.19000000E+05 0.00823425 19.22823366 1.49164817 0.56696230E-03 0.19050000E+05 0.00796116 19.23117546 1.49162975 0.54675349E-03 0.19100000E+05 0.00769733 19.23403566 1.49162378 0.52728119E-03 0.19150000E+05 0.00744245 19.23681537 1.49162749 0.50854225E-03 0.19200000E+05 0.00719620 19.23951566 1.49163857 0.49052840E-03 0.19250000E+05 0.00695829 19.24213756 1.49165601 0.47321900E-03 0.19300000E+05 0.00672845 19.24468209 1.49166733 0.45657992E-03 0.19350000E+05 0.00650640 19.24715025 1.49166319 0.44056844E-03 0.19400000E+05 0.00629188 19.24954305 1.49165053 0.42514110E-03 0.19450000E+05 0.00608462 19.25186151 1.49163797 0.41026121E-03 0.19500000E+05 0.00588438 19.25410668 1.49162681 0.39590329E-03 0.19550000E+05 0.00569093 19.25627962 1.49162443 0.38205380E-03 0.19600000E+05 0.00550403 19.25838142 1.49163853 0.36870757E-03 0.19650000E+05 0.00532345 19.26041317 1.49165872 0.35586143E-03 0.19700000E+05 0.00514899 19.26237599 1.49167059 0.34350733E-03 0.19750000E+05 0.00498044 19.26427097 1.49167120 0.33162881E-03 0.19800000E+05 0.00481758 19.26609922 1.49166001 0.32020217E-03 0.19850000E+05 0.00466023 19.26786182 1.49163729 0.30920078E-03 0.19900000E+05 0.00450821 19.26955987 1.49161797 0.29859922E-03 0.19950000E+05 0.00436132 19.27119444 1.49162072 0.28837612E-03 0.20000000E+05 0.00421939 19.27276658 1.49164226 0.27851559E-03 warning: ndused not equal to ndatus ************************************************************************ info from reading or writing asymptotic info ************************************************************************ # timesteps for which bk coefs available is: 400 # data used, ndused = 396 effective prop.time, spectral resolution (mev) = 19800.0000 0.4317532E+01 meaningful results in kin energy range (ev) 0.004318 1.709743 results will be obtained for nen95 energies,nen95 = 93 ************************************************************************ info from gtaife ************************************************************************ ************************************************************************ info from probaf ************************************************************************ # of data skipped in between data in next printout = 0 idat ekin(ev) preact phase 1 0.1511136 -0.005206 2.03792 2 0.1554312 -0.022500 1.48766 3 0.1597487 -0.025130 0.95877 4 0.1640662 -0.013846 0.44161 5 0.1683837 0.003340 -0.07189 6 0.1727013 0.015807 -0.58403 7 0.1770188 0.016582 -1.08942 8 0.1813363 0.006472 -1.57855 9 0.1856539 -0.006669 -2.04562 10 0.1899714 -0.013377 -2.49306 11 0.1942889 -0.009278 -2.92956 12 0.1986065 0.001694 2.91940 13 0.2029240 0.010337 2.48519 14 0.2072415 0.009616 2.05739 15 0.2115591 0.000677 1.64502 16 0.2158766 -0.007991 1.25059 17 0.2201941 -0.008232 0.86779 18 0.2245117 -0.000119 0.48742 19 0.2288292 0.007843 0.10600 20 0.2331467 0.007253 -0.27053 21 0.2374643 -0.001141 -0.63339 22 0.2417818 -0.007915 -0.98118 23 0.2460993 -0.005380 -1.32141 24 0.2504169 0.003341 -1.66226 25 0.2547344 0.007692 -2.00341 26 0.2590519 0.002418 -2.33630 27 0.2633695 -0.005669 -2.65509 28 0.2676870 -0.006108 -2.96416 29 0.2720045 0.001591 3.01053 30 0.2763221 0.007046 2.70011 31 0.2806396 0.002884 2.39530 32 0.2849571 -0.005011 2.10334 33 0.2892746 -0.005531 1.82095 34 0.2935922 0.001892 1.53880 35 0.2979097 0.006325 1.25425 36 0.3022272 0.001257 0.97524 37 0.3065448 -0.005668 0.70860 38 0.3108623 -0.004036 0.44968 39 0.3151798 0.003483 0.18910 40 0.3194974 0.005190 -0.07340 41 0.3238149 -0.001431 -0.32833 42 0.3281324 -0.005736 -0.57141 43 0.3324500 -0.000890 -0.81053 44 0.3367675 0.005135 -1.05358 45 0.3410850 0.002546 -1.29580 46 0.3454026 -0.004184 -1.52729 47 0.3497201 -0.003788 -1.74962 48 0.3540376 0.002912 -1.97349 49 0.3583552 0.004436 -2.20110 50 0.3626727 -0.001755 -2.42200 51 0.3669902 -0.004924 -2.63103 52 0.3713078 0.000300 -2.83760 53 0.3756253 0.004580 -3.04979 54 0.3799428 0.000360 3.02330 55 0.3842604 -0.004755 2.82550 56 0.3885779 -0.001650 2.63404 57 0.3928954 0.003886 2.43705 58 0.3972129 0.001739 2.23830 59 0.4015305 -0.004014 2.05108 60 0.4058480 -0.002648 1.87329 61 0.4101655 0.003280 1.69072 62 0.4144831 0.002703 1.50337 63 0.4188006 -0.003154 1.32655 64 0.4231181 -0.003107 1.16164 65 0.4274357 0.002660 0.99276 66 0.4317532 0.002972 0.81677 67 0.4360707 -0.002729 0.65074 68 0.4403883 -0.003290 0.49866 69 0.4447058 0.002326 0.34264 70 0.4490233 0.002985 0.17747 71 0.4533409 -0.002600 0.02268 72 0.4576584 -0.003317 -0.11620 73 0.4619759 0.002126 -0.25987 74 0.4662935 0.002666 -0.41451 75 0.4706110 -0.002732 -0.55701 76 0.4749285 -0.003024 -0.68195 77 0.4792461 0.002365 -0.81427 78 0.4835636 0.002419 -0.95918 79 0.4878811 -0.002825 -1.08833 80 0.4921987 -0.002460 -1.19877 81 0.4965162 0.002700 -1.32109 82 0.5008337 0.001945 -1.45650 83 0.5051512 -0.002998 -1.57024 84 0.5094688 -0.001682 -1.66580 85 0.5137863 0.003174 -1.78035 86 0.5181038 0.001485 -1.90648 87 0.5224214 -0.003017 -2.00295 88 0.5267389 -0.000729 -2.08504 89 0.5310564 0.003529 -2.19531 90 0.5353740 0.000736 -2.31109 91 0.5396915 -0.003104 -2.38828 92 0.5440090 0.000359 -2.46057 93 0.5483266 0.003859 -2.57084 ******************************************************************************** PRINTING SCATTERING AND REACTION PROBABILITIES ******************************************************************************** etrans(icomin)= 0.151114 etrans(icomax)= 0.548327 etrans= 0.150000 $$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$ total energy = -0.44668474D+01 trans energy = 0.20714286D+00 trans energy in z = 0.20714286D+00 total momentum = 0.74792309D+01 $$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$ ************************************ rotation-diffraction summed probabilities ************************************ v probability av edif av erot 0 0.9903679E+00 0.4146915E-02 0.2058808E+00 1 0.0000000E+00 0.0000000E+00 0.0000000E+00 ************************************ diffraction summed probabilities ************************************ v irot j m probability 0 21 1 -1 0.3540686E-03 0 26 1 0 0.6198287E-02 0 31 1 1 0.1596385E-02 0 13 3 -3 0.1017545E-04 0 17 3 -2 0.1166122E-03 0 22 3 -1 0.1080967E-02 0 27 3 0 0.5396647E-02 0 32 3 1 0.2880659E-01 0 36 3 2 0.3678347E-02 0 40 3 3 0.5671073E-03 0 7 5 -5 0.1090951E-06 0 10 5 -4 0.2406600E-06 0 14 5 -3 0.1485326E-04 0 18 5 -2 0.2248695E-04 0 23 5 -1 0.5276642E-02 0 28 5 0 0.2240056E-02 0 33 5 1 0.9108382E+00 0 37 5 2 0.1929834E-01 0 41 5 3 0.4720612E-02 0 44 5 4 0.1346294E-03 0 47 5 5 0.5803514E-05 0 3 7 -7 0.7993193E-12 0 5 7 -6 0.4888645E-11 0 8 7 -5 0.5821834E-07 0 11 7 -4 0.1973037E-09 0 15 7 -3 0.4950896E-07 0 19 7 -2 0.8401008E-07 0 24 7 -1 0.9761514E-07 0 29 7 0 0.2464505E-06 0 34 7 1 0.9367324E-05 0 38 7 2 0.6728228E-06 0 42 7 3 0.2710787E-07 0 45 7 4 0.3580233E-08 0 48 7 5 0.1229679E-06 0 50 7 6 0.4550388E-09 0 52 7 7 0.1223893E-07 0 1 9 -9 0.0000000E+00 0 2 9 -8 0.0000000E+00 0 4 9 -7 0.0000000E+00 0 6 9 -6 0.0000000E+00 0 9 9 -5 0.0000000E+00 0 12 9 -4 0.0000000E+00 0 16 9 -3 0.0000000E+00 0 20 9 -2 0.0000000E+00 0 25 9 -1 0.0000000E+00 0 30 9 0 0.0000000E+00 0 35 9 1 0.0000000E+00 0 39 9 2 0.0000000E+00 0 43 9 3 0.0000000E+00 0 46 9 4 0.0000000E+00 0 49 9 5 0.0000000E+00 0 51 9 6 0.0000000E+00 0 53 9 7 0.0000000E+00 0 54 9 8 0.0000000E+00 0 55 9 9 0.0000000E+00 1 21 1 -1 0.0000000E+00 1 26 1 0 0.0000000E+00 1 31 1 1 0.0000000E+00 1 13 3 -3 0.0000000E+00 1 17 3 -2 0.0000000E+00 1 22 3 -1 0.0000000E+00 1 27 3 0 0.0000000E+00 1 32 3 1 0.0000000E+00 1 36 3 2 0.0000000E+00 1 40 3 3 0.0000000E+00 1 7 5 -5 0.0000000E+00 1 10 5 -4 0.0000000E+00 1 14 5 -3 0.0000000E+00 1 18 5 -2 0.0000000E+00 1 23 5 -1 0.0000000E+00 1 28 5 0 0.0000000E+00 1 33 5 1 0.0000000E+00 1 37 5 2 0.0000000E+00 1 41 5 3 0.0000000E+00 1 44 5 4 0.0000000E+00 1 47 5 5 0.0000000E+00 1 3 7 -7 0.0000000E+00 1 5 7 -6 0.0000000E+00 1 8 7 -5 0.0000000E+00 1 11 7 -4 0.0000000E+00 1 15 7 -3 0.0000000E+00 1 19 7 -2 0.0000000E+00 1 24 7 -1 0.0000000E+00 1 29 7 0 0.0000000E+00 1 34 7 1 0.0000000E+00 1 38 7 2 0.0000000E+00 1 42 7 3 0.0000000E+00 1 45 7 4 0.0000000E+00 1 48 7 5 0.0000000E+00 1 50 7 6 0.0000000E+00 1 52 7 7 0.0000000E+00 1 1 9 -9 0.0000000E+00 1 2 9 -8 0.0000000E+00 1 4 9 -7 0.0000000E+00 1 6 9 -6 0.0000000E+00 1 9 9 -5 0.0000000E+00 1 12 9 -4 0.0000000E+00 1 16 9 -3 0.0000000E+00 1 20 9 -2 0.0000000E+00 1 25 9 -1 0.0000000E+00 1 30 9 0 0.0000000E+00 1 35 9 1 0.0000000E+00 1 39 9 2 0.0000000E+00 1 43 9 3 0.0000000E+00 1 46 9 4 0.0000000E+00 1 49 9 5 0.0000000E+00 1 51 9 6 0.0000000E+00 1 53 9 7 0.0000000E+00 1 54 9 8 0.0000000E+00 1 55 9 9 0.0000000E+00 ************************************ probabilities as function of diffraction order ************************************ v, j, mj = 0 1 -1 0 0.2392983E-14 1 0.2746007E-04 2 0.1771200E-03 3 0.1190479E-03 4 0.2896094E-04 5 0.1380772E-05 6 0.7971553E-07 7 0.1869666E-07 8 0.3700085E-09 9 0.0000000E+00 v, j, mj = 0 1 0 0 0.1431748E-15 1 0.3321132E-02 2 0.2437408E-02 3 0.4024203E-03 4 0.3584996E-04 5 0.1284477E-05 6 0.1752761E-06 7 0.1668265E-07 8 0.4223709E-09 9 0.0000000E+00 v, j, mj = 0 1 1 0 0.4573533E-03 1 0.8558366E-03 2 0.2002401E-03 3 0.5388543E-04 4 0.2694275E-04 5 0.2064491E-05 6 0.5278159E-07 7 0.9365802E-08 8 0.1979803E-09 9 0.0000000E+00 v, j, mj = 0 3 -3 0 0.1514368E-15 1 0.1008852E-06 2 0.3969089E-05 3 0.4806201E-05 4 0.1132254E-05 5 0.7919152E-07 6 0.8018505E-07 7 0.7639821E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 3 -2 0 0.2517081E-07 1 0.1129178E-04 2 0.6052158E-04 3 0.4059156E-04 4 0.3943546E-05 5 0.1671061E-06 6 0.6114055E-07 7 0.1035620E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 3 -1 0 0.1802942E-14 1 0.3065740E-03 2 0.6815035E-03 3 0.8804925E-04 4 0.4585068E-05 5 0.2344794E-06 6 0.1261263E-07 7 0.7911742E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 3 0 0 0.1381255E-15 1 0.4863843E-02 2 0.4532544E-03 3 0.4977331E-04 4 0.2849147E-04 5 0.1206291E-05 6 0.7257489E-07 7 0.5105276E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 3 1 0 0.1083578E-01 1 0.1428806E-01 2 0.3426535E-02 3 0.2431210E-03 4 0.1250277E-04 5 0.5691368E-06 6 0.1807399E-07 7 0.1979981E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 3 2 0 0.3181468E-16 1 0.9301811E-03 2 0.2096625E-02 3 0.6114466E-03 4 0.3921974E-04 5 0.7778649E-06 6 0.8266022E-07 7 0.1493573E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 3 3 0 0.5876473E-15 1 0.1213260E-04 2 0.2374050E-03 3 0.2759843E-03 4 0.4085821E-04 5 0.7092357E-06 6 0.1613284E-07 7 0.1838079E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 -5 0 0.2163059E-08 1 0.1684448E-07 2 0.1478873E-07 3 0.3098163E-08 4 0.4219967E-07 5 0.3000104E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 -4 0 0.8521257E-17 1 0.3023090E-07 2 0.9577064E-07 3 0.6316004E-07 4 0.2168763E-07 5 0.2981077E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 -3 0 0.7446256E-16 1 0.4289666E-05 2 0.7773930E-05 3 0.8571844E-06 4 0.1740907E-05 5 0.1915778E-06 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 -2 0 0.3908436E-07 1 0.1307018E-04 2 0.8224000E-05 3 0.1094717E-05 4 0.4912905E-07 5 0.9842129E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 -1 0 0.1076793E-15 1 0.4332167E-02 2 0.9168961E-03 3 0.2305272E-04 4 0.4312976E-05 5 0.2132594E-06 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 0 0 0.5562567E-17 1 0.1925152E-02 2 0.3017157E-03 3 0.1273091E-04 4 0.4526957E-06 5 0.4686779E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 1 0 0.5958482E+00 1 0.2884103E+00 2 0.2574127E-01 3 0.8252313E-03 4 0.1249493E-04 5 0.8201081E-06 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 2 0 0.2011539E-16 1 0.1556100E-01 2 0.3628006E-02 3 0.1066856E-03 4 0.2619457E-05 5 0.3235749E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 3 0 0.1450288E-15 1 0.2883609E-02 2 0.1715642E-02 3 0.1157230E-03 4 0.5442110E-05 5 0.1960022E-06 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 4 0 0.2283251E-06 1 0.1774631E-04 2 0.9817941E-04 3 0.1740072E-04 4 0.8684144E-06 5 0.2061741E-06 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 5 0 0.2279702E-17 1 0.1162178E-05 2 0.2533553E-05 3 0.1027523E-05 4 0.8301812E-06 5 0.2500803E-06 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -7 0 0.7949132E-16 1 0.7338786E-12 2 0.6536122E-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 7 -6 0 0.1342835E-17 1 0.1876374E-11 2 0.3012269E-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 = 0 7 -5 0 0.2305036E-07 1 0.3472258E-07 2 0.4454007E-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 = 0 7 -4 0 0.3296304E-18 1 0.1900863E-09 2 0.7217463E-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 = 0 7 -3 0 0.3696979E-16 1 0.4680366E-07 2 0.2705305E-08 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 7 -2 0 0.9112312E-08 1 0.7324364E-07 2 0.1654127E-08 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 7 -1 0 0.8601653E-17 1 0.9614612E-07 2 0.1469021E-08 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 7 0 0 0.1174617E-17 1 0.2357548E-06 2 0.1069572E-07 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 7 1 0 0.6237898E-05 1 0.3104998E-05 2 0.2442802E-07 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 7 2 0 0.2006513E-17 1 0.6671783E-06 2 0.5644408E-08 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 7 3 0 0.1735140E-16 1 0.1363088E-07 2 0.1347699E-07 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 7 4 0 0.5602619E-09 1 0.1583623E-08 2 0.1436349E-08 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 7 5 0 0.6318323E-16 1 0.1196634E-06 2 0.3304492E-08 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 7 6 0 0.4595624E-16 1 0.4433127E-09 2 0.1172607E-10 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 7 7 0 0.4088725E-08 1 0.8015082E-08 2 0.1351275E-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 = 0.9903679 average vibrational energy (ev) = 0.000000 average rotational energy (ev) = 0.205881 average diffraction energy (ev) = 0.004147 the reaction probability = 0.9632061D-02 $$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$ total energy = -0.44097046D+01 trans energy = 0.26428571D+00 trans energy in z = 0.26428571D+00 total momentum = 0.84480953D+01 $$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$ ************************************ rotation-diffraction summed probabilities ************************************ v probability av edif av erot 0 0.1005762E+01 0.5353202E-02 0.1986230E+00 1 0.0000000E+00 0.0000000E+00 0.0000000E+00 ************************************ diffraction summed probabilities ************************************ v irot j m probability 0 21 1 -1 0.7713607E-03 0 26 1 0 0.1496795E-01 0 31 1 1 0.4162703E-02 0 13 3 -3 0.8800566E-04 0 17 3 -2 0.7119002E-03 0 22 3 -1 0.5361488E-02 0 27 3 0 0.1710904E-01 0 32 3 1 0.4531773E-01 0 36 3 2 0.9701490E-02 0 40 3 3 0.1958398E-02 0 7 5 -5 0.1280560E-06 0 10 5 -4 0.1260393E-05 0 14 5 -3 0.4245594E-04 0 18 5 -2 0.9264971E-04 0 23 5 -1 0.1023352E-01 0 28 5 0 0.4628065E-02 0 33 5 1 0.8352092E+00 0 37 5 2 0.4333631E-01 0 41 5 3 0.1099376E-01 0 44 5 4 0.7227682E-03 0 47 5 5 0.2311799E-04 0 3 7 -7 0.1952710E-09 0 5 7 -6 0.1614088E-08 0 8 7 -5 0.3666670E-07 0 11 7 -4 0.6243456E-08 0 15 7 -3 0.1700150E-05 0 19 7 -2 0.2837699E-06 0 24 7 -1 0.8756519E-06 0 29 7 0 0.4517147E-05 0 34 7 1 0.3031854E-03 0 38 7 2 0.1263503E-04 0 42 7 3 0.3010286E-05 0 45 7 4 0.7206694E-07 0 48 7 5 0.2349092E-05 0 50 7 6 0.4392498E-07 0 52 7 7 0.2161866E-07 0 1 9 -9 0.0000000E+00 0 2 9 -8 0.0000000E+00 0 4 9 -7 0.0000000E+00 0 6 9 -6 0.0000000E+00 0 9 9 -5 0.0000000E+00 0 12 9 -4 0.0000000E+00 0 16 9 -3 0.0000000E+00 0 20 9 -2 0.0000000E+00 0 25 9 -1 0.0000000E+00 0 30 9 0 0.0000000E+00 0 35 9 1 0.0000000E+00 0 39 9 2 0.0000000E+00 0 43 9 3 0.0000000E+00 0 46 9 4 0.0000000E+00 0 49 9 5 0.0000000E+00 0 51 9 6 0.0000000E+00 0 53 9 7 0.0000000E+00 0 54 9 8 0.0000000E+00 0 55 9 9 0.0000000E+00 1 21 1 -1 0.0000000E+00 1 26 1 0 0.0000000E+00 1 31 1 1 0.0000000E+00 1 13 3 -3 0.0000000E+00 1 17 3 -2 0.0000000E+00 1 22 3 -1 0.0000000E+00 1 27 3 0 0.0000000E+00 1 32 3 1 0.0000000E+00 1 36 3 2 0.0000000E+00 1 40 3 3 0.0000000E+00 1 7 5 -5 0.0000000E+00 1 10 5 -4 0.0000000E+00 1 14 5 -3 0.0000000E+00 1 18 5 -2 0.0000000E+00 1 23 5 -1 0.0000000E+00 1 28 5 0 0.0000000E+00 1 33 5 1 0.0000000E+00 1 37 5 2 0.0000000E+00 1 41 5 3 0.0000000E+00 1 44 5 4 0.0000000E+00 1 47 5 5 0.0000000E+00 1 3 7 -7 0.0000000E+00 1 5 7 -6 0.0000000E+00 1 8 7 -5 0.0000000E+00 1 11 7 -4 0.0000000E+00 1 15 7 -3 0.0000000E+00 1 19 7 -2 0.0000000E+00 1 24 7 -1 0.0000000E+00 1 29 7 0 0.0000000E+00 1 34 7 1 0.0000000E+00 1 38 7 2 0.0000000E+00 1 42 7 3 0.0000000E+00 1 45 7 4 0.0000000E+00 1 48 7 5 0.0000000E+00 1 50 7 6 0.0000000E+00 1 52 7 7 0.0000000E+00 1 1 9 -9 0.0000000E+00 1 2 9 -8 0.0000000E+00 1 4 9 -7 0.0000000E+00 1 6 9 -6 0.0000000E+00 1 9 9 -5 0.0000000E+00 1 12 9 -4 0.0000000E+00 1 16 9 -3 0.0000000E+00 1 20 9 -2 0.0000000E+00 1 25 9 -1 0.0000000E+00 1 30 9 0 0.0000000E+00 1 35 9 1 0.0000000E+00 1 39 9 2 0.0000000E+00 1 43 9 3 0.0000000E+00 1 46 9 4 0.0000000E+00 1 49 9 5 0.0000000E+00 1 51 9 6 0.0000000E+00 1 53 9 7 0.0000000E+00 1 54 9 8 0.0000000E+00 1 55 9 9 0.0000000E+00 ************************************ probabilities as function of diffraction order ************************************ v, j, mj = 0 1 -1 0 0.2035444E-13 1 0.1451411E-03 2 0.3985812E-03 3 0.1366424E-03 4 0.8044375E-04 5 0.1020449E-04 6 0.3219245E-06 7 0.1916005E-07 8 0.6649519E-08 9 0.0000000E+00 v, j, mj = 0 1 0 0 0.9265372E-15 1 0.9646783E-02 2 0.4566417E-02 3 0.6664543E-03 4 0.8300278E-04 5 0.5135524E-05 6 0.8471568E-07 7 0.6484166E-07 8 0.5042048E-08 9 0.0000000E+00 v, j, mj = 0 1 1 0 0.1237030E-02 1 0.2014340E-02 2 0.7317021E-03 3 0.1227961E-03 4 0.4459988E-04 5 0.1166706E-04 6 0.5442399E-06 7 0.1903565E-07 8 0.4485625E-08 9 0.0000000E+00 v, j, mj = 0 3 -3 0 0.5582451E-14 1 0.8015474E-06 2 0.2622850E-04 3 0.4605710E-04 4 0.1415284E-04 5 0.7175422E-06 6 0.4156599E-07 7 0.6559565E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 3 -2 0 0.4995465E-07 1 0.5252114E-04 2 0.3475216E-03 3 0.2824502E-03 4 0.2861663E-04 5 0.6076339E-06 6 0.1140191E-06 7 0.1906387E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 3 -1 0 0.5921973E-13 1 0.1658156E-02 2 0.3145665E-02 3 0.5203730E-03 4 0.3553834E-04 5 0.1720998E-05 6 0.2701840E-07 7 0.7338598E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 3 0 0 0.2883339E-14 1 0.1494552E-01 2 0.1612873E-02 3 0.4481921E-03 4 0.9723934E-04 5 0.5154000E-05 6 0.2931402E-07 7 0.3685622E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 3 1 0 0.2037105E-01 1 0.1904625E-01 2 0.5277550E-02 3 0.5718949E-03 4 0.4826766E-04 5 0.2702582E-05 6 0.1153995E-07 7 0.4882041E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 3 2 0 0.6627175E-15 1 0.2395431E-02 2 0.5165683E-02 3 0.1950815E-02 4 0.1840571E-03 5 0.5423771E-05 6 0.5330815E-07 7 0.2698113E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 3 3 0 0.9466078E-14 1 0.9095873E-05 2 0.5292742E-03 3 0.1070348E-02 4 0.3335174E-03 5 0.1606586E-04 6 0.8020449E-07 7 0.1657499E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 -5 0 0.3998380E-08 1 0.8034877E-08 2 0.1897154E-07 3 0.1557245E-07 4 0.3415485E-07 5 0.2011833E-07 6 0.2720559E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 -4 0 0.4861167E-16 1 0.1700595E-06 2 0.4626058E-06 3 0.4252877E-06 4 0.6113455E-07 5 0.1312257E-06 6 0.1008026E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 -3 0 0.5000358E-15 1 0.1082833E-04 2 0.2485188E-04 3 0.4542100E-05 4 0.2164333E-05 5 0.6560086E-07 6 0.3704557E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 -2 0 0.6168007E-07 1 0.3176977E-04 2 0.5254172E-04 3 0.8130398E-05 4 0.1069767E-06 5 0.3745484E-07 6 0.1701157E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 -1 0 0.2605612E-14 1 0.8718377E-02 2 0.1443641E-02 3 0.6053417E-04 4 0.1068599E-04 5 0.7679606E-07 6 0.2066928E-06 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 0 0 0.3002376E-15 1 0.4220707E-02 2 0.3413345E-03 3 0.6212853E-04 4 0.3876022E-05 5 0.1419336E-07 6 0.4071920E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 1 0 0.5551654E+00 1 0.2483227E+00 2 0.2965948E-01 3 0.2026216E-02 4 0.3514435E-04 5 0.2539701E-06 6 0.3024605E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 2 0 0.1183164E-15 1 0.3463265E-01 2 0.8496734E-02 3 0.1967543E-03 4 0.9934771E-05 5 0.2072716E-06 6 0.2144795E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 3 0 0.2208922E-14 1 0.4384705E-02 2 0.5796324E-02 3 0.7927332E-03 4 0.1994837E-04 5 0.4248031E-07 6 0.8124825E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 4 0 0.3090891E-06 1 0.6240911E-04 2 0.4664781E-03 3 0.1840511E-03 4 0.8738152E-05 5 0.7551912E-06 6 0.2744254E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 5 0 0.4153109E-15 1 0.1271389E-05 2 0.9842254E-05 3 0.1075509E-04 4 0.1041560E-05 5 0.9635482E-07 6 0.1113484E-06 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -7 0 0.9408724E-16 1 0.4235807E-10 2 0.9205612E-10 3 0.6085672E-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 = 0 7 -6 0 0.1089803E-16 1 0.8092857E-09 2 0.6263995E-09 3 0.1784027E-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 = 0 7 -5 0 0.2223923E-07 1 0.9146225E-08 2 0.3957523E-08 3 0.1323724E-08 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 7 -4 0 0.5011989E-17 1 0.4212428E-09 2 0.5392835E-08 3 0.4293776E-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 = 0 7 -3 0 0.1704367E-16 1 0.1598594E-05 2 0.9056471E-07 3 0.1099176E-07 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 7 -2 0 0.2461526E-07 1 0.1699662E-06 2 0.5070803E-07 3 0.3848045E-07 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 7 -1 0 0.2587133E-16 1 0.4623357E-06 2 0.1709348E-06 3 0.2423814E-06 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 7 0 0 0.2503307E-16 1 0.3003368E-05 2 0.1042941E-05 3 0.4708375E-06 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 7 1 0 0.1753890E-03 1 0.1210500E-03 2 0.6311903E-05 3 0.4344913E-06 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 7 2 0 0.2641416E-16 1 0.1124107E-04 2 0.1083415E-05 3 0.3105389E-06 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 7 3 0 0.1803206E-16 1 0.2477138E-05 2 0.4919582E-06 3 0.4118989E-07 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 7 4 0 0.3676828E-08 1 0.1091622E-07 2 0.1438234E-07 3 0.4309155E-07 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 7 5 0 0.1109196E-16 1 0.2184179E-05 2 0.1560713E-06 3 0.8841615E-08 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 7 6 0 0.6135689E-17 1 0.3239095E-07 2 0.9796780E-08 3 0.1737249E-08 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 7 7 0 0.9416915E-08 1 0.6231519E-08 2 0.3997254E-08 3 0.1972969E-08 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 = 1.0057621 average vibrational energy (ev) = 0.000000 average rotational energy (ev) = 0.198623 average diffraction energy (ev) = 0.005353 the reaction probability = -0.5762052D-02 $$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$ total energy = -0.43525617D+01 trans energy = 0.32142857D+00 trans energy in z = 0.32142857D+00 total momentum = 0.93167448D+01 $$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$ ************************************ rotation-diffraction summed probabilities ************************************ v probability av edif av erot 0 0.9977715E+00 0.6955050E-02 0.1900062E+00 1 0.1932853E-07 0.2842965E-02 0.1447186E-01 ************************************ diffraction summed probabilities ************************************ v irot j m probability 0 21 1 -1 0.1525677E-02 0 26 1 0 0.2364853E-01 0 31 1 1 0.6396064E-02 0 13 3 -3 0.4629226E-03 0 17 3 -2 0.2888885E-02 0 22 3 -1 0.1617815E-01 0 27 3 0 0.3908354E-01 0 32 3 1 0.5400948E-01 0 36 3 2 0.1571728E-01 0 40 3 3 0.3661541E-02 0 7 5 -5 0.3620304E-06 0 10 5 -4 0.7840098E-05 0 14 5 -3 0.1776182E-03 0 18 5 -2 0.4632386E-03 0 23 5 -1 0.1738958E-01 0 28 5 0 0.8551420E-02 0 33 5 1 0.6974404E+00 0 37 5 2 0.7850836E-01 0 41 5 3 0.2552561E-01 0 44 5 4 0.3530815E-02 0 47 5 5 0.2013901E-03 0 3 7 -7 0.2457524E-08 0 5 7 -6 0.1066529E-07 0 8 7 -5 0.1417336E-06 0 11 7 -4 0.2203352E-07 0 15 7 -3 0.7797963E-06 0 19 7 -2 0.2792253E-05 0 24 7 -1 0.1470321E-04 0 29 7 0 0.4832381E-04 0 34 7 1 0.2080912E-02 0 38 7 2 0.2489403E-03 0 42 7 3 0.4020004E-05 0 45 7 4 0.2742502E-06 0 48 7 5 0.1811228E-05 0 50 7 6 0.6320453E-07 0 52 7 7 0.6767128E-07 0 1 9 -9 0.0000000E+00 0 2 9 -8 0.0000000E+00 0 4 9 -7 0.0000000E+00 0 6 9 -6 0.0000000E+00 0 9 9 -5 0.0000000E+00 0 12 9 -4 0.0000000E+00 0 16 9 -3 0.0000000E+00 0 20 9 -2 0.0000000E+00 0 25 9 -1 0.0000000E+00 0 30 9 0 0.0000000E+00 0 35 9 1 0.0000000E+00 0 39 9 2 0.0000000E+00 0 43 9 3 0.0000000E+00 0 46 9 4 0.0000000E+00 0 49 9 5 0.0000000E+00 0 51 9 6 0.0000000E+00 0 53 9 7 0.0000000E+00 0 54 9 8 0.0000000E+00 0 55 9 9 0.0000000E+00 1 21 1 -1 0.2809002E-09 1 26 1 0 0.1958795E-09 1 31 1 1 0.1885175E-07 1 13 3 -3 0.0000000E+00 1 17 3 -2 0.0000000E+00 1 22 3 -1 0.0000000E+00 1 27 3 0 0.0000000E+00 1 32 3 1 0.0000000E+00 1 36 3 2 0.0000000E+00 1 40 3 3 0.0000000E+00 1 7 5 -5 0.0000000E+00 1 10 5 -4 0.0000000E+00 1 14 5 -3 0.0000000E+00 1 18 5 -2 0.0000000E+00 1 23 5 -1 0.0000000E+00 1 28 5 0 0.0000000E+00 1 33 5 1 0.0000000E+00 1 37 5 2 0.0000000E+00 1 41 5 3 0.0000000E+00 1 44 5 4 0.0000000E+00 1 47 5 5 0.0000000E+00 1 3 7 -7 0.0000000E+00 1 5 7 -6 0.0000000E+00 1 8 7 -5 0.0000000E+00 1 11 7 -4 0.0000000E+00 1 15 7 -3 0.0000000E+00 1 19 7 -2 0.0000000E+00 1 24 7 -1 0.0000000E+00 1 29 7 0 0.0000000E+00 1 34 7 1 0.0000000E+00 1 38 7 2 0.0000000E+00 1 42 7 3 0.0000000E+00 1 45 7 4 0.0000000E+00 1 48 7 5 0.0000000E+00 1 50 7 6 0.0000000E+00 1 52 7 7 0.0000000E+00 1 1 9 -9 0.0000000E+00 1 2 9 -8 0.0000000E+00 1 4 9 -7 0.0000000E+00 1 6 9 -6 0.0000000E+00 1 9 9 -5 0.0000000E+00 1 12 9 -4 0.0000000E+00 1 16 9 -3 0.0000000E+00 1 20 9 -2 0.0000000E+00 1 25 9 -1 0.0000000E+00 1 30 9 0 0.0000000E+00 1 35 9 1 0.0000000E+00 1 39 9 2 0.0000000E+00 1 43 9 3 0.0000000E+00 1 46 9 4 0.0000000E+00 1 49 9 5 0.0000000E+00 1 51 9 6 0.0000000E+00 1 53 9 7 0.0000000E+00 1 54 9 8 0.0000000E+00 1 55 9 9 0.0000000E+00 ************************************ probabilities as function of diffraction order ************************************ v, j, mj = 0 1 -1 0 0.5456367E-13 1 0.6855954E-03 2 0.6904872E-03 3 0.3616304E-04 4 0.8313216E-04 5 0.2842233E-04 6 0.1796775E-05 7 0.7306209E-07 8 0.6000239E-08 9 0.8777208E-09 v, j, mj = 0 1 0 0 0.3183011E-14 1 0.1954157E-01 2 0.3416396E-02 3 0.5594288E-03 4 0.1183503E-03 5 0.1223751E-04 6 0.4360038E-06 7 0.8650941E-07 8 0.1682031E-07 9 0.3944714E-09 v, j, mj = 0 1 1 0 0.2122953E-02 1 0.2335242E-02 2 0.1493760E-02 3 0.3331328E-03 4 0.6625037E-04 5 0.4083927E-04 6 0.3776550E-05 7 0.1040882E-06 8 0.5472648E-08 9 0.4095512E-09 v, j, mj = 0 3 -3 0 0.6981564E-13 1 0.3761095E-05 2 0.1186372E-03 3 0.2352770E-03 4 0.9739330E-04 5 0.7694201E-05 6 0.1396423E-06 7 0.1514949E-07 8 0.4978075E-08 9 0.0000000E+00 v, j, mj = 0 3 -2 0 0.1054754E-06 1 0.2330426E-03 2 0.1476448E-02 3 0.1060563E-02 4 0.1142063E-03 5 0.4439284E-05 6 0.6855430E-07 7 0.9019371E-08 8 0.3148335E-08 9 0.0000000E+00 v, j, mj = 0 3 -1 0 0.8572963E-12 1 0.6078342E-02 2 0.8833199E-02 3 0.1171318E-02 4 0.8827319E-04 5 0.6845369E-05 6 0.1439319E-06 7 0.1640043E-07 8 0.8030388E-08 9 0.0000000E+00 v, j, mj = 0 3 0 0 0.1838694E-13 1 0.3363092E-01 2 0.3926073E-02 3 0.1308095E-02 4 0.2062335E-03 5 0.1206461E-04 6 0.1311995E-06 7 0.1328941E-07 8 0.1104607E-07 9 0.0000000E+00 v, j, mj = 0 3 1 0 0.3207612E-01 1 0.1482316E-01 2 0.5888922E-02 3 0.1082695E-02 4 0.1277825E-03 5 0.1039828E-04 6 0.3845827E-06 7 0.1380178E-07 8 0.2024888E-08 9 0.0000000E+00 v, j, mj = 0 3 2 0 0.5717556E-14 1 0.3944662E-02 2 0.7881972E-02 3 0.3478927E-02 4 0.3925219E-03 5 0.1888178E-04 6 0.2908158E-06 7 0.1801079E-07 8 0.1798272E-08 9 0.0000000E+00 v, j, mj = 0 3 3 0 0.7911123E-13 1 0.8065364E-04 2 0.5462801E-03 3 0.1879127E-02 4 0.1036622E-02 5 0.1166262E-03 6 0.2202950E-05 7 0.1675892E-07 8 0.1306673E-07 9 0.0000000E+00 v, j, mj = 0 5 -5 0 0.1311860E-07 1 0.2745697E-07 2 0.6088206E-07 3 0.8563013E-07 4 0.7741548E-07 5 0.2335069E-07 6 0.6848674E-07 7 0.5689742E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 -4 0 0.1658466E-14 1 0.4301189E-06 2 0.3343987E-05 3 0.3388319E-05 4 0.5600018E-06 5 0.8580188E-07 6 0.3016728E-07 7 0.1702631E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 -3 0 0.1354890E-13 1 0.2724885E-04 2 0.1056285E-03 3 0.3832941E-04 4 0.6299401E-05 5 0.9598045E-07 6 0.1469306E-07 7 0.1396201E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 -2 0 0.1297862E-06 1 0.8760532E-04 2 0.3111011E-03 3 0.6185577E-04 4 0.2437145E-05 5 0.1022475E-06 6 0.4317983E-08 7 0.2954071E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 -1 0 0.1072519E-12 1 0.1592685E-01 2 0.1233408E-02 3 0.1968282E-03 4 0.3216769E-04 5 0.2041155E-06 6 0.1206852E-06 7 0.2739401E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 0 0 0.5499046E-14 1 0.8080656E-02 2 0.1183237E-03 3 0.3333794E-03 4 0.1890578E-04 5 0.1388824E-06 6 0.1421742E-07 7 0.1879814E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 1 0 0.5044579E+00 1 0.1601357E+00 2 0.2952019E-01 3 0.3275426E-02 4 0.5081643E-04 5 0.2463165E-06 6 0.3280780E-07 7 0.1005712E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 2 0 0.2282059E-14 1 0.6512046E-01 2 0.1314239E-01 3 0.1975996E-03 4 0.4658294E-04 5 0.1294214E-05 6 0.3163813E-07 7 0.9339108E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 3 0 0.6813479E-13 1 0.6622478E-02 2 0.1575674E-01 3 0.3028388E-02 4 0.1174246E-03 5 0.5648909E-06 6 0.1652622E-07 7 0.2935204E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 4 0 0.3422141E-06 1 0.2418934E-03 2 0.1904459E-02 3 0.1272450E-02 4 0.1096090E-03 5 0.1974691E-05 6 0.8543749E-07 7 0.1052375E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 5 0 0.1546955E-13 1 0.3267179E-06 2 0.6181634E-04 3 0.1194621E-03 4 0.1919801E-04 5 0.4018232E-06 6 0.1828133E-06 7 0.2344198E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -7 0 0.4539824E-16 1 0.3026692E-09 2 0.7728027E-09 3 0.5768833E-09 4 0.8051691E-09 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -6 0 0.7279788E-18 1 0.3834121E-09 2 0.6397761E-08 3 0.2965123E-08 4 0.9189930E-09 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -5 0 0.3016986E-07 1 0.6184653E-07 2 0.4647834E-07 3 0.2741592E-08 4 0.4972635E-09 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -4 0 0.3117241E-17 1 0.1410967E-07 2 0.2515165E-08 3 0.3021614E-08 4 0.2387071E-08 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -3 0 0.1428477E-16 1 0.2836122E-06 2 0.4726113E-06 3 0.1882746E-07 4 0.4745371E-08 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -2 0 0.4584797E-07 1 0.2248262E-05 2 0.4027093E-06 3 0.5275458E-07 4 0.4267880E-07 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -1 0 0.4096644E-16 1 0.9179147E-05 2 0.5257508E-05 3 0.1987076E-06 4 0.6784750E-07 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 0 0 0.3506289E-17 1 0.4056018E-04 2 0.7181350E-05 3 0.5011300E-06 4 0.8114549E-07 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 1 0 0.1148129E-02 1 0.8967437E-03 2 0.3581817E-04 3 0.1345303E-06 4 0.8692089E-07 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 2 0 0.2890574E-17 1 0.2045287E-03 2 0.4310688E-04 3 0.1190993E-05 4 0.1136757E-06 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 3 0 0.1130773E-15 1 0.2668133E-05 2 0.1150843E-05 3 0.1744066E-06 4 0.2662145E-07 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 4 0 0.5236289E-08 1 0.1285078E-06 2 0.7637689E-07 3 0.2676290E-07 4 0.3736635E-07 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 5 0 0.1789670E-17 1 0.7805467E-06 2 0.9510854E-06 3 0.7227639E-07 4 0.7319075E-08 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 6 0 0.2009176E-16 1 0.1592913E-07 2 0.2382275E-07 3 0.1407796E-07 4 0.9374686E-08 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 7 0 0.1968287E-08 1 0.1725640E-07 2 0.3886387E-07 3 0.1734422E-08 4 0.7848298E-08 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 1 -1 0 0.2380376E-17 1 0.2809002E-09 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 1 0 0 0.3587472E-18 1 0.1958795E-09 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 1 1 0 0.1265917E-07 1 0.6192576E-08 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 = 0.9977715 average vibrational energy (ev) = 0.000000 average rotational energy (ev) = 0.190006 average diffraction energy (ev) = 0.006955 the reaction probability = 0.2228467D-02 $$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$ total energy = -0.42954189D+01 trans energy = 0.37857143D+00 trans energy in z = 0.37857143D+00 total momentum = 0.10111041D+02 $$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$ ************************************ rotation-diffraction summed probabilities ************************************ v probability av edif av erot 0 0.9982995E+00 0.9283914E-02 0.1829487E+00 1 0.2681899E-06 0.1650729E-01 0.1525686E-01 ************************************ diffraction summed probabilities ************************************ v irot j m probability 0 21 1 -1 0.3778233E-02 0 26 1 0 0.3144656E-01 0 31 1 1 0.6773586E-02 0 13 3 -3 0.1430382E-02 0 17 3 -2 0.8037646E-02 0 22 3 -1 0.3285870E-01 0 27 3 0 0.6061675E-01 0 32 3 1 0.5718380E-01 0 36 3 2 0.1717880E-01 0 40 3 3 0.4524500E-02 0 7 5 -5 0.1842119E-05 0 10 5 -4 0.5560387E-04 0 14 5 -3 0.7926160E-03 0 18 5 -2 0.2016037E-02 0 23 5 -1 0.2705991E-01 0 28 5 0 0.1546044E-01 0 33 5 1 0.5454520E+00 0 37 5 2 0.1099342E+00 0 41 5 3 0.4988326E-01 0 44 5 4 0.1240488E-01 0 47 5 5 0.1618272E-02 0 3 7 -7 0.5249421E-08 0 5 7 -6 0.1032535E-07 0 8 7 -5 0.9904835E-07 0 11 7 -4 0.8522052E-07 0 15 7 -3 0.1073561E-05 0 19 7 -2 0.1035185E-04 0 24 7 -1 0.1256950E-03 0 29 7 0 0.3231397E-03 0 34 7 1 0.7525925E-02 0 38 7 2 0.1737016E-02 0 42 7 3 0.6112674E-04 0 45 7 4 0.5077239E-05 0 48 7 5 0.1529669E-05 0 50 7 6 0.2257371E-06 0 52 7 7 0.8307166E-07 0 1 9 -9 0.0000000E+00 0 2 9 -8 0.0000000E+00 0 4 9 -7 0.0000000E+00 0 6 9 -6 0.0000000E+00 0 9 9 -5 0.0000000E+00 0 12 9 -4 0.0000000E+00 0 16 9 -3 0.0000000E+00 0 20 9 -2 0.0000000E+00 0 25 9 -1 0.0000000E+00 0 30 9 0 0.0000000E+00 0 35 9 1 0.0000000E+00 0 39 9 2 0.0000000E+00 0 43 9 3 0.0000000E+00 0 46 9 4 0.0000000E+00 0 49 9 5 0.0000000E+00 0 51 9 6 0.0000000E+00 0 53 9 7 0.0000000E+00 0 54 9 8 0.0000000E+00 0 55 9 9 0.0000000E+00 1 21 1 -1 0.1580879E-07 1 26 1 0 0.4699447E-07 1 31 1 1 0.2024505E-06 1 13 3 -3 0.1544079E-18 1 17 3 -2 0.1094636E-11 1 22 3 -1 0.1569832E-17 1 27 3 0 0.1606725E-18 1 32 3 1 0.2935001E-08 1 36 3 2 0.2644472E-18 1 40 3 3 0.7678629E-18 1 7 5 -5 0.0000000E+00 1 10 5 -4 0.0000000E+00 1 14 5 -3 0.0000000E+00 1 18 5 -2 0.0000000E+00 1 23 5 -1 0.0000000E+00 1 28 5 0 0.0000000E+00 1 33 5 1 0.0000000E+00 1 37 5 2 0.0000000E+00 1 41 5 3 0.0000000E+00 1 44 5 4 0.0000000E+00 1 47 5 5 0.0000000E+00 1 3 7 -7 0.0000000E+00 1 5 7 -6 0.0000000E+00 1 8 7 -5 0.0000000E+00 1 11 7 -4 0.0000000E+00 1 15 7 -3 0.0000000E+00 1 19 7 -2 0.0000000E+00 1 24 7 -1 0.0000000E+00 1 29 7 0 0.0000000E+00 1 34 7 1 0.0000000E+00 1 38 7 2 0.0000000E+00 1 42 7 3 0.0000000E+00 1 45 7 4 0.0000000E+00 1 48 7 5 0.0000000E+00 1 50 7 6 0.0000000E+00 1 52 7 7 0.0000000E+00 1 1 9 -9 0.0000000E+00 1 2 9 -8 0.0000000E+00 1 4 9 -7 0.0000000E+00 1 6 9 -6 0.0000000E+00 1 9 9 -5 0.0000000E+00 1 12 9 -4 0.0000000E+00 1 16 9 -3 0.0000000E+00 1 20 9 -2 0.0000000E+00 1 25 9 -1 0.0000000E+00 1 30 9 0 0.0000000E+00 1 35 9 1 0.0000000E+00 1 39 9 2 0.0000000E+00 1 43 9 3 0.0000000E+00 1 46 9 4 0.0000000E+00 1 49 9 5 0.0000000E+00 1 51 9 6 0.0000000E+00 1 53 9 7 0.0000000E+00 1 54 9 8 0.0000000E+00 1 55 9 9 0.0000000E+00 ************************************ probabilities as function of diffraction order ************************************ v, j, mj = 0 1 -1 0 0.1176409E-12 1 0.2200843E-02 2 0.1313222E-02 3 0.1741164E-03 4 0.4852792E-04 5 0.3536774E-04 6 0.5914015E-05 7 0.2340863E-06 8 0.5322467E-08 9 0.2229661E-08 v, j, mj = 0 1 0 0 0.1114198E-13 1 0.2983794E-01 2 0.7945308E-03 3 0.7072751E-03 4 0.8795207E-04 5 0.1745361E-04 6 0.1325449E-05 7 0.5473467E-07 8 0.2160250E-07 9 0.1268687E-08 v, j, mj = 0 1 1 0 0.2380977E-02 1 0.1398366E-02 2 0.2359814E-02 3 0.3757629E-03 4 0.1256397E-03 5 0.1108651E-03 6 0.2147647E-04 7 0.6745065E-06 8 0.9544921E-08 9 0.8257067E-09 v, j, mj = 0 3 -3 0 0.4559364E-12 1 0.1125114E-04 2 0.4087526E-03 3 0.6578017E-03 4 0.3072525E-03 5 0.4385419E-04 6 0.1457725E-05 7 0.7456165E-08 8 0.4265975E-08 9 0.2132586E-10 v, j, mj = 0 3 -2 0 0.4197127E-06 1 0.8860055E-03 2 0.4584427E-02 3 0.2322042E-02 4 0.2312045E-03 5 0.1319727E-04 6 0.3361716E-06 7 0.1247468E-07 8 0.1285253E-08 9 0.1258453E-11 v, j, mj = 0 3 -1 0 0.6000074E-11 1 0.1602256E-01 2 0.1569232E-01 3 0.1047633E-02 4 0.8436176E-04 5 0.1112199E-04 6 0.6876285E-06 7 0.9086275E-08 8 0.7620475E-08 9 0.4409417E-10 v, j, mj = 0 3 0 0 0.6735745E-13 1 0.5348358E-01 2 0.5297332E-02 3 0.1556742E-02 4 0.2583710E-03 5 0.2001495E-04 6 0.6767053E-06 7 0.2793730E-07 8 0.6898759E-08 9 0.1889716E-10 v, j, mj = 0 3 1 0 0.4124218E-01 1 0.5254988E-02 2 0.8288838E-02 3 0.2098706E-02 4 0.2676261E-03 5 0.2901780E-04 6 0.2384939E-05 7 0.4951891E-07 8 0.4204874E-08 9 0.2686394E-10 v, j, mj = 0 3 2 0 0.2878066E-13 1 0.4452740E-02 2 0.7952641E-02 3 0.4163956E-02 4 0.5636333E-03 5 0.4415442E-04 6 0.1645126E-05 7 0.2340836E-07 8 0.3452079E-08 9 0.6050162E-11 v, j, mj = 0 3 3 0 0.4538413E-12 1 0.3646484E-03 2 0.3076681E-03 3 0.2061810E-02 4 0.1461460E-02 5 0.3141199E-03 6 0.1465673E-04 7 0.1290818E-06 8 0.7223687E-08 9 0.5002404E-11 v, j, mj = 0 5 -5 0 0.1649841E-07 1 0.8704670E-07 2 0.2528098E-06 3 0.8987853E-06 4 0.4971375E-06 5 0.4652610E-07 6 0.2584723E-07 7 0.1746784E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 -4 0 0.1394881E-13 1 0.6192421E-06 2 0.2248766E-04 3 0.2689674E-04 4 0.5419398E-05 5 0.1222527E-06 6 0.4038080E-07 7 0.1820088E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 -3 0 0.1926283E-12 1 0.7006543E-04 2 0.4529565E-03 3 0.2374928E-03 4 0.3154984E-04 5 0.5288194E-06 6 0.1769846E-07 7 0.4984273E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 -2 0 0.3040118E-06 1 0.2572449E-03 2 0.1423162E-02 3 0.3188917E-03 4 0.1626115E-04 5 0.1595895E-06 6 0.7063018E-08 7 0.6353583E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 -1 0 0.1672922E-11 1 0.2527450E-01 2 0.9155489E-03 3 0.8056464E-03 4 0.6355193E-04 5 0.5932553E-06 6 0.4303973E-07 7 0.1893116E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 0 0 0.3872123E-13 1 0.1317656E-01 2 0.1137033E-02 3 0.1105000E-02 4 0.4141938E-04 5 0.4019341E-06 6 0.1286941E-07 7 0.1469539E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 1 0 0.4334937E+00 1 0.7442745E-01 2 0.3399798E-01 3 0.3507947E-02 4 0.2457589E-04 5 0.3450969E-06 6 0.3262612E-07 7 0.2014918E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 2 0 0.2040484E-13 1 0.9748071E-01 2 0.1167916E-01 3 0.5739858E-03 4 0.1936937E-03 5 0.6565643E-05 6 0.6523329E-07 7 0.1617979E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 3 0 0.8436993E-12 1 0.1173089E-01 2 0.3165389E-01 3 0.6163336E-02 4 0.3297602E-03 5 0.5344338E-05 6 0.3891534E-07 7 0.5093330E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 4 0 0.4152539E-06 1 0.7885619E-03 2 0.5810368E-02 3 0.5078900E-02 4 0.7073430E-03 5 0.1909874E-04 6 0.1682000E-06 7 0.2407265E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 5 0 0.2071956E-12 1 0.1012660E-05 2 0.3721101E-03 3 0.9363400E-03 4 0.2936617E-03 5 0.1504893E-04 6 0.8177845E-07 7 0.1690475E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -7 0 0.1230163E-17 1 0.6344584E-09 2 0.1896655E-08 3 0.1770690E-08 4 0.5677996E-09 5 0.3798175E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -6 0 0.6700233E-16 1 0.1536090E-08 2 0.2524595E-08 3 0.4414806E-08 4 0.1217052E-08 5 0.6328062E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -5 0 0.3742840E-07 1 0.2532306E-07 2 0.2472217E-07 3 0.8176262E-08 4 0.2862493E-08 5 0.5359611E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -4 0 0.5937229E-16 1 0.1630199E-07 2 0.4946533E-07 3 0.9123074E-08 4 0.8460971E-08 5 0.1869164E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -3 0 0.6156028E-15 1 0.8332867E-06 2 0.1809659E-06 3 0.4259404E-07 4 0.1239440E-07 5 0.4320112E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -2 0 0.4286612E-07 1 0.5549063E-05 2 0.4281173E-05 3 0.4065394E-06 4 0.6217208E-07 5 0.1003814E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -1 0 0.2925804E-14 1 0.8391881E-04 2 0.4135269E-04 3 0.3398465E-06 4 0.6524349E-07 5 0.1839807E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 0 0 0.1978313E-15 1 0.2587018E-03 2 0.6392825E-04 3 0.4178020E-06 4 0.6465265E-07 5 0.2718887E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 1 0 0.4400007E-02 1 0.3056733E-02 2 0.6825024E-04 3 0.8512816E-06 4 0.6286025E-07 5 0.2022824E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 2 0 0.8591454E-16 1 0.1473657E-02 2 0.2610922E-03 3 0.2123328E-05 4 0.6509898E-07 5 0.7803684E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 3 0 0.6005555E-14 1 0.1863273E-04 2 0.3632956E-04 3 0.6062496E-05 4 0.7369967E-07 5 0.2824921E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 4 0 0.5829564E-07 1 0.8327487E-06 2 0.2568378E-05 3 0.1497607E-05 4 0.1027194E-06 5 0.1749014E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 5 0 0.6262888E-15 1 0.8200668E-06 2 0.5976466E-06 3 0.8493250E-07 4 0.1636226E-07 5 0.1066096E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 6 0 0.1264885E-15 1 0.2214460E-07 2 0.8743176E-07 3 0.7023726E-07 4 0.3729178E-07 5 0.8631684E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 7 0 0.2063492E-08 1 0.1004657E-07 2 0.1982440E-07 3 0.3585453E-07 4 0.6783538E-08 5 0.8499130E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 1 -1 0 0.8690547E-17 1 0.1398853E-08 2 0.9953994E-08 3 0.4455938E-08 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 1 0 0 0.9623807E-18 1 0.7087015E-08 2 0.2920814E-07 3 0.1069931E-07 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 1 1 0 0.6364366E-07 1 0.7476256E-07 2 0.6064172E-07 3 0.3402601E-08 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 = 0.9982998 average vibrational energy (ev) = 0.000000 average rotational energy (ev) = 0.182949 average diffraction energy (ev) = 0.009284 the reaction probability = 0.1700240D-02 $$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$ total energy = -0.42382760D+01 trans energy = 0.43571429D+00 trans energy in z = 0.43571429D+00 total momentum = 0.10847330D+02 $$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$ ************************************ rotation-diffraction summed probabilities ************************************ v probability av edif av erot 0 0.1002248E+01 0.1269863E-01 0.1792477E+00 1 0.1014823E-04 0.9552023E-02 0.1697406E-01 ************************************ diffraction summed probabilities ************************************ v irot j m probability 0 21 1 -1 0.8385243E-02 0 26 1 0 0.4107390E-01 0 31 1 1 0.5909829E-02 0 13 3 -3 0.2772761E-02 0 17 3 -2 0.1619473E-01 0 22 3 -1 0.4885251E-01 0 27 3 0 0.6769584E-01 0 32 3 1 0.5855020E-01 0 36 3 2 0.1499342E-01 0 40 3 3 0.5045685E-02 0 7 5 -5 0.1750319E-04 0 10 5 -4 0.3121437E-03 0 14 5 -3 0.2873624E-02 0 18 5 -2 0.6527634E-02 0 23 5 -1 0.3964970E-01 0 28 5 0 0.2557565E-01 0 33 5 1 0.3983451E+00 0 37 5 2 0.1193257E+00 0 41 5 3 0.7680462E-01 0 44 5 4 0.2947736E-01 0 47 5 5 0.7664660E-02 0 3 7 -7 0.1683309E-07 0 5 7 -6 0.1904085E-07 0 8 7 -5 0.1418201E-06 0 11 7 -4 0.3364331E-06 0 15 7 -3 0.3643376E-05 0 19 7 -2 0.6822272E-04 0 24 7 -1 0.6445169E-03 0 29 7 0 0.1186512E-02 0 34 7 1 0.1742138E-01 0 38 7 2 0.6314000E-02 0 42 7 3 0.5023425E-03 0 45 7 4 0.4931199E-04 0 48 7 5 0.8603675E-05 0 50 7 6 0.3711689E-06 0 52 7 7 0.3454524E-06 0 1 9 -9 0.7322703E-11 0 2 9 -8 0.1496002E-10 0 4 9 -7 0.1277706E-09 0 6 9 -6 0.2522820E-09 0 9 9 -5 0.1776186E-08 0 12 9 -4 0.9327908E-09 0 16 9 -3 0.5072129E-09 0 20 9 -2 0.4076733E-08 0 25 9 -1 0.5317390E-07 0 30 9 0 0.8747397E-07 0 35 9 1 0.4835043E-06 0 39 9 2 0.9593645E-07 0 43 9 3 0.4614781E-07 0 46 9 4 0.4620415E-08 0 49 9 5 0.7437081E-08 0 51 9 6 0.5016866E-09 0 53 9 7 0.4730316E-08 0 54 9 8 0.1570266E-08 0 55 9 9 0.6282812E-09 1 21 1 -1 0.1483308E-06 1 26 1 0 0.4958921E-06 1 31 1 1 0.9149870E-05 1 13 3 -3 0.1220305E-08 1 17 3 -2 0.3818288E-08 1 22 3 -1 0.1721812E-07 1 27 3 0 0.5330118E-07 1 32 3 1 0.2431238E-06 1 36 3 2 0.2284822E-07 1 40 3 3 0.1260670E-07 1 7 5 -5 0.0000000E+00 1 10 5 -4 0.0000000E+00 1 14 5 -3 0.0000000E+00 1 18 5 -2 0.0000000E+00 1 23 5 -1 0.0000000E+00 1 28 5 0 0.0000000E+00 1 33 5 1 0.0000000E+00 1 37 5 2 0.0000000E+00 1 41 5 3 0.0000000E+00 1 44 5 4 0.0000000E+00 1 47 5 5 0.0000000E+00 1 3 7 -7 0.0000000E+00 1 5 7 -6 0.0000000E+00 1 8 7 -5 0.0000000E+00 1 11 7 -4 0.0000000E+00 1 15 7 -3 0.0000000E+00 1 19 7 -2 0.0000000E+00 1 24 7 -1 0.0000000E+00 1 29 7 0 0.0000000E+00 1 34 7 1 0.0000000E+00 1 38 7 2 0.0000000E+00 1 42 7 3 0.0000000E+00 1 45 7 4 0.0000000E+00 1 48 7 5 0.0000000E+00 1 50 7 6 0.0000000E+00 1 52 7 7 0.0000000E+00 1 1 9 -9 0.0000000E+00 1 2 9 -8 0.0000000E+00 1 4 9 -7 0.0000000E+00 1 6 9 -6 0.0000000E+00 1 9 9 -5 0.0000000E+00 1 12 9 -4 0.0000000E+00 1 16 9 -3 0.0000000E+00 1 20 9 -2 0.0000000E+00 1 25 9 -1 0.0000000E+00 1 30 9 0 0.0000000E+00 1 35 9 1 0.0000000E+00 1 39 9 2 0.0000000E+00 1 43 9 3 0.0000000E+00 1 46 9 4 0.0000000E+00 1 49 9 5 0.0000000E+00 1 51 9 6 0.0000000E+00 1 53 9 7 0.0000000E+00 1 54 9 8 0.0000000E+00 1 55 9 9 0.0000000E+00 ************************************ probabilities as function of diffraction order ************************************ v, j, mj = 0 1 -1 0 0.7800026E-12 1 0.4343649E-02 2 0.3534144E-02 3 0.3482235E-03 4 0.7765735E-04 5 0.5882531E-04 6 0.2131610E-04 7 0.1392045E-05 8 0.3256960E-07 9 0.3613362E-08 v, j, mj = 0 1 0 0 0.9533148E-13 1 0.3397016E-01 2 0.6154739E-02 3 0.8665123E-03 4 0.5071408E-04 5 0.2645006E-04 6 0.5215952E-05 7 0.9265447E-07 8 0.2071492E-07 9 0.1236709E-08 v, j, mj = 0 1 1 0 0.1652751E-02 1 0.6568460E-03 2 0.2942766E-02 3 0.1867920E-03 4 0.1608507E-03 5 0.2249821E-03 6 0.7979303E-04 7 0.4971512E-05 8 0.7310912E-07 9 0.3607069E-08 v, j, mj = 0 3 -3 0 0.1813264E-11 1 0.1820434E-04 2 0.1060580E-02 3 0.1078915E-02 4 0.4850354E-03 5 0.1202140E-03 6 0.9634983E-05 7 0.1730093E-06 8 0.4025865E-08 9 0.6560193E-09 v, j, mj = 0 3 -2 0 0.1908718E-05 1 0.2686302E-02 2 0.1013938E-01 3 0.3012339E-02 4 0.3350398E-03 5 0.1882233E-04 6 0.9167344E-06 7 0.2376947E-07 8 0.2785759E-08 9 0.3821744E-09 v, j, mj = 0 3 -1 0 0.2653178E-10 1 0.3146754E-01 2 0.1701255E-01 3 0.2860378E-03 4 0.7190667E-04 5 0.1222336E-04 6 0.2160181E-05 7 0.8743230E-07 8 0.8272508E-08 9 0.2016304E-08 v, j, mj = 0 3 0 0 0.1684852E-12 1 0.5975531E-01 2 0.6662691E-02 3 0.9904965E-03 4 0.2546516E-03 5 0.2977265E-04 6 0.2794913E-05 7 0.1051018E-06 8 0.1277081E-07 9 0.9266008E-09 v, j, mj = 0 3 1 0 0.3922594E-01 1 0.1017449E-03 2 0.1612793E-01 3 0.2658429E-02 4 0.3912439E-03 5 0.3853838E-04 6 0.6122421E-05 7 0.2411011E-06 8 0.7993526E-08 9 0.1422624E-08 v, j, mj = 0 3 2 0 0.1293780E-12 1 0.3749190E-02 2 0.6975634E-02 3 0.3420015E-02 4 0.7224087E-03 5 0.1173425E-03 6 0.8677103E-05 7 0.1517363E-06 8 0.3492945E-08 9 0.4608938E-09 v, j, mj = 0 3 3 0 0.2318634E-11 1 0.9326165E-03 2 0.5094698E-03 3 0.1897826E-02 4 0.1260955E-02 5 0.4040846E-03 6 0.3994916E-04 7 0.7780980E-06 8 0.5178009E-08 9 0.8651716E-09 v, j, mj = 0 5 -5 0 0.1454920E-08 1 0.5150759E-07 2 0.1132586E-05 3 0.9746416E-05 4 0.5992860E-05 5 0.5312673E-06 6 0.2777033E-07 7 0.1787300E-07 8 0.1451605E-08 9 0.0000000E+00 v, j, mj = 0 5 -4 0 0.7530439E-13 1 0.7797415E-06 2 0.1242101E-03 3 0.1521454E-03 4 0.3366015E-04 5 0.1313836E-05 6 0.1962383E-07 7 0.1359474E-07 8 0.1242591E-08 9 0.0000000E+00 v, j, mj = 0 5 -3 0 0.1744353E-11 1 0.1854190E-03 2 0.1725903E-02 3 0.8747139E-03 4 0.8512318E-04 5 0.2402646E-05 6 0.5579063E-07 7 0.4613488E-08 8 0.1734743E-08 9 0.0000000E+00 v, j, mj = 0 5 -2 0 0.5664799E-06 1 0.7255698E-03 2 0.4769879E-02 3 0.9924400E-03 4 0.3838248E-04 5 0.7652940E-06 6 0.2178159E-07 7 0.6036249E-08 8 0.3000436E-08 9 0.0000000E+00 v, j, mj = 0 5 -1 0 0.1228148E-10 1 0.3257171E-01 2 0.5121941E-02 3 0.1887741E-02 4 0.6720965E-04 5 0.1002060E-05 6 0.7476735E-07 7 0.1234495E-07 8 0.5663445E-08 9 0.0000000E+00 v, j, mj = 0 5 0 0 0.1527499E-12 1 0.1694739E-01 2 0.6460893E-02 3 0.2127999E-02 4 0.3824682E-04 5 0.1064994E-05 6 0.4774424E-07 7 0.6506407E-08 8 0.1504588E-08 9 0.0000000E+00 v, j, mj = 0 5 1 0 0.3189780E+00 1 0.3579782E-01 2 0.4154880E-01 3 0.2002025E-02 4 0.1668623E-04 5 0.1690197E-05 6 0.4337422E-07 7 0.7278347E-08 8 0.1895590E-08 9 0.0000000E+00 v, j, mj = 0 5 2 0 0.1298779E-12 1 0.1115091E+00 2 0.4601806E-02 3 0.2729372E-02 4 0.4619652E-03 5 0.2300263E-04 6 0.3624858E-06 7 0.1117778E-07 8 0.4283068E-08 9 0.0000000E+00 v, j, mj = 0 5 3 0 0.6155891E-11 1 0.2292062E-01 2 0.4695863E-01 3 0.6511801E-02 4 0.3997462E-03 5 0.1368952E-04 6 0.1161279E-06 7 0.8406594E-08 8 0.1291210E-08 9 0.0000000E+00 v, j, mj = 0 5 4 0 0.1081194E-05 1 0.2343308E-02 2 0.1388219E-01 3 0.1109345E-01 4 0.2043640E-02 5 0.1122493E-03 6 0.1410367E-05 7 0.2297560E-07 8 0.1144876E-08 9 0.0000000E+00 v, j, mj = 0 5 5 0 0.1635842E-11 1 0.1621505E-04 2 0.1536901E-02 3 0.3940459E-02 4 0.1964798E-02 5 0.2030169E-03 6 0.3251176E-05 7 0.1925572E-07 8 0.7489138E-09 9 0.0000000E+00 v, j, mj = 0 7 -7 0 0.4892243E-16 1 0.1604299E-08 2 0.4622926E-08 3 0.4154208E-08 4 0.4039132E-08 5 0.1820734E-08 6 0.5917942E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -6 0 0.1122804E-14 1 0.2899422E-08 2 0.5098212E-08 3 0.7200266E-08 4 0.1299735E-08 5 0.1458188E-08 6 0.1085024E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -5 0 0.8291196E-07 1 0.2873970E-07 2 0.1176042E-07 3 0.1307829E-07 4 0.1536746E-08 5 0.2887506E-08 6 0.9054271E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -4 0 0.7677434E-15 1 0.2800611E-07 2 0.2138704E-06 3 0.6310309E-07 4 0.1922920E-07 5 0.1177015E-07 6 0.4541024E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -3 0 0.1416293E-13 1 0.1478682E-05 2 0.7104287E-06 3 0.1327056E-05 4 0.1191183E-06 5 0.6311556E-08 6 0.1779469E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -2 0 0.4626313E-07 1 0.1920390E-04 2 0.4538207E-04 3 0.3379721E-05 4 0.1762437E-06 5 0.3235751E-07 6 0.2170598E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -1 0 0.7451141E-13 1 0.4555814E-03 2 0.1858152E-03 3 0.2619888E-05 4 0.4555316E-06 5 0.4095914E-07 6 0.3817994E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 0 0 0.1392165E-14 1 0.9563148E-03 2 0.2238890E-03 3 0.5956583E-05 4 0.3123531E-06 5 0.3161920E-07 6 0.7291981E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 1 0 0.1180942E-01 1 0.5511062E-02 2 0.8351953E-04 3 0.1698221E-04 4 0.3665840E-06 5 0.2556757E-07 6 0.7634616E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 2 0 0.4980030E-15 1 0.5717619E-02 2 0.5930303E-03 3 0.2663035E-05 4 0.3631682E-06 5 0.2980703E-06 6 0.2634123E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 3 0 0.1348883E-12 1 0.1753026E-03 2 0.2945975E-03 3 0.3176837E-04 4 0.5956375E-06 5 0.7503163E-07 6 0.3309004E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 4 0 0.1053768E-06 1 0.5520480E-05 2 0.2853917E-04 3 0.1432034E-04 4 0.7909686E-06 5 0.3128163E-07 6 0.4371007E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 5 0 0.1609468E-13 1 0.3115014E-05 2 0.3791539E-05 3 0.1493863E-05 4 0.1775425E-06 5 0.1920167E-07 6 0.6514883E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 6 0 0.1686970E-14 1 0.4300812E-07 2 0.1606138E-06 3 0.1294445E-06 4 0.2303199E-07 5 0.1052302E-07 6 0.4547378E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 7 0 0.3682514E-07 1 0.1520620E-07 2 0.8924134E-07 3 0.1118214E-06 4 0.3756211E-07 5 0.4794531E-07 6 0.6850851E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -9 0 0.3622174E-16 1 0.5083434E-11 2 0.2239233E-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 = 0 9 -8 0 0.4917540E-11 1 0.5494862E-11 2 0.4547621E-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 = 0 9 -7 0 0.6388622E-16 1 0.8638336E-10 2 0.4138715E-10 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 9 -6 0 0.5964626E-19 1 0.1826880E-09 2 0.6959403E-10 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 9 -5 0 0.3277635E-09 1 0.1349903E-08 2 0.9851930E-10 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 9 -4 0 0.1245230E-17 1 0.6486555E-09 2 0.2841353E-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 = 0 9 -3 0 0.6183815E-16 1 0.1133965E-09 2 0.3938164E-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 = 0 9 -2 0 0.6071399E-09 1 0.1057771E-08 2 0.2411822E-08 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 9 -1 0 0.1883147E-17 1 0.3635313E-07 2 0.1682077E-07 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 9 0 0 0.2187022E-16 1 0.7602404E-07 2 0.1144993E-07 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 9 1 0 0.1461884E-06 1 0.2000810E-06 2 0.1372348E-06 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 9 2 0 0.2009404E-16 1 0.7950538E-07 2 0.1643107E-07 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 9 3 0 0.3176065E-16 1 0.3248997E-07 2 0.1365784E-07 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 9 4 0 0.2528338E-08 1 0.9766453E-09 2 0.1115432E-08 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 9 5 0 0.8399243E-18 1 0.7083184E-08 2 0.3538963E-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 = 0 9 6 0 0.5029555E-17 1 0.1873596E-09 2 0.3143270E-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 = 0 9 7 0 0.2961707E-08 1 0.1119340E-08 2 0.6492690E-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 = 0 9 8 0 0.8386762E-18 1 0.1039038E-08 2 0.5312282E-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 = 0 9 9 0 0.1371828E-16 1 0.4557765E-09 2 0.1725047E-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 1 -1 0 0.1225429E-15 1 0.7862219E-08 2 0.9187647E-07 3 0.4516250E-07 4 0.3429645E-08 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 1 0 0 0.3086506E-16 1 0.3676175E-06 2 0.9080173E-07 3 0.1728245E-07 4 0.2019042E-07 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 1 1 0 0.2319167E-05 1 0.5674916E-05 2 0.1119351E-05 3 0.3307960E-07 4 0.3356806E-08 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 -3 0 0.1229035E-16 1 0.3167200E-09 2 0.9035846E-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 3 -2 0 0.3850870E-10 1 0.2136886E-08 2 0.1642893E-08 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 3 -1 0 0.4655643E-16 1 0.2766313E-08 2 0.1445181E-07 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 3 0 0 0.3819821E-17 1 0.4161558E-07 2 0.1168560E-07 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 3 1 0 0.1468114E-06 1 0.8871917E-07 2 0.7593279E-08 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 3 2 0 0.6749048E-18 1 0.1299966E-08 2 0.2154825E-07 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 3 3 0 0.3168239E-17 1 0.3034781E-09 2 0.1230323E-07 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 = 1.0022585 average vibrational energy (ev) = 0.000005 average rotational energy (ev) = 0.179246 average diffraction energy (ev) = 0.012699 the reaction probability = -0.2258485D-02 $$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$ total energy = -0.41811331D+01 trans energy = 0.49285714D+00 trans energy in z = 0.49285714D+00 total momentum = 0.11536724D+02 $$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$ ************************************ rotation-diffraction summed probabilities ************************************ v probability av edif av erot 0 0.1000961E+01 0.1720845E-01 0.1792504E+00 1 0.7116386E-03 0.1001604E-01 0.1887771E-01 ************************************ diffraction summed probabilities ************************************ v irot j m probability 0 21 1 -1 0.1472651E-01 0 26 1 0 0.5212345E-01 0 31 1 1 0.6593129E-02 0 13 3 -3 0.3967605E-02 0 17 3 -2 0.2494481E-01 0 22 3 -1 0.5574505E-01 0 27 3 0 0.6032187E-01 0 32 3 1 0.5578339E-01 0 36 3 2 0.1314292E-01 0 40 3 3 0.7386667E-02 0 7 5 -5 0.1309189E-03 0 10 5 -4 0.1231422E-02 0 14 5 -3 0.7801819E-02 0 18 5 -2 0.1546380E-01 0 23 5 -1 0.5345142E-01 0 28 5 0 0.3640463E-01 0 33 5 1 0.2717867E+00 0 37 5 2 0.1019280E+00 0 41 5 3 0.9249258E-01 0 44 5 4 0.5248450E-01 0 47 5 5 0.2121126E-01 0 3 7 -7 0.5261296E-07 0 5 7 -6 0.4500768E-07 0 8 7 -5 0.5571185E-06 0 11 7 -4 0.3866490E-05 0 15 7 -3 0.2971756E-04 0 19 7 -2 0.4041699E-03 0 24 7 -1 0.2421388E-02 0 29 7 0 0.2792841E-02 0 34 7 1 0.2901097E-01 0 38 7 2 0.1476962E-01 0 42 7 3 0.2052490E-02 0 45 7 4 0.2845774E-03 0 48 7 5 0.5895925E-04 0 50 7 6 0.2537122E-05 0 52 7 7 0.1170271E-05 0 1 9 -9 0.1191839E-09 0 2 9 -8 0.2052985E-09 0 4 9 -7 0.9162164E-09 0 6 9 -6 0.9408312E-09 0 9 9 -5 0.4920416E-08 0 12 9 -4 0.6067037E-08 0 16 9 -3 0.1440960E-07 0 20 9 -2 0.5357978E-07 0 25 9 -1 0.1572675E-06 0 30 9 0 0.5744054E-06 0 35 9 1 0.3563765E-05 0 39 9 2 0.1038645E-05 0 43 9 3 0.7043437E-07 0 46 9 4 0.6302827E-07 0 49 9 5 0.2066623E-07 0 51 9 6 0.7130370E-08 0 53 9 7 0.1639430E-07 0 54 9 8 0.9851203E-08 0 55 9 9 0.6703729E-08 1 21 1 -1 0.4431566E-05 1 26 1 0 0.2276359E-04 1 31 1 1 0.6407165E-03 1 13 3 -3 0.8935314E-08 1 17 3 -2 0.2155921E-07 1 22 3 -1 0.6169692E-07 1 27 3 0 0.1271607E-05 1 32 3 1 0.4181523E-04 1 36 3 2 0.5146742E-06 1 40 3 3 0.3318509E-07 1 7 5 -5 0.0000000E+00 1 10 5 -4 0.0000000E+00 1 14 5 -3 0.0000000E+00 1 18 5 -2 0.0000000E+00 1 23 5 -1 0.0000000E+00 1 28 5 0 0.0000000E+00 1 33 5 1 0.0000000E+00 1 37 5 2 0.0000000E+00 1 41 5 3 0.0000000E+00 1 44 5 4 0.0000000E+00 1 47 5 5 0.0000000E+00 1 3 7 -7 0.0000000E+00 1 5 7 -6 0.0000000E+00 1 8 7 -5 0.0000000E+00 1 11 7 -4 0.0000000E+00 1 15 7 -3 0.0000000E+00 1 19 7 -2 0.0000000E+00 1 24 7 -1 0.0000000E+00 1 29 7 0 0.0000000E+00 1 34 7 1 0.0000000E+00 1 38 7 2 0.0000000E+00 1 42 7 3 0.0000000E+00 1 45 7 4 0.0000000E+00 1 48 7 5 0.0000000E+00 1 50 7 6 0.0000000E+00 1 52 7 7 0.0000000E+00 1 1 9 -9 0.0000000E+00 1 2 9 -8 0.0000000E+00 1 4 9 -7 0.0000000E+00 1 6 9 -6 0.0000000E+00 1 9 9 -5 0.0000000E+00 1 12 9 -4 0.0000000E+00 1 16 9 -3 0.0000000E+00 1 20 9 -2 0.0000000E+00 1 25 9 -1 0.0000000E+00 1 30 9 0 0.0000000E+00 1 35 9 1 0.0000000E+00 1 39 9 2 0.0000000E+00 1 43 9 3 0.0000000E+00 1 46 9 4 0.0000000E+00 1 49 9 5 0.0000000E+00 1 51 9 6 0.0000000E+00 1 53 9 7 0.0000000E+00 1 54 9 8 0.0000000E+00 1 55 9 9 0.0000000E+00 ************************************ probabilities as function of diffraction order ************************************ v, j, mj = 0 1 -1 0 0.1089703E-10 1 0.8972312E-02 2 0.5090783E-02 3 0.2977999E-03 4 0.1336249E-03 5 0.1442269E-03 6 0.7673217E-04 7 0.1078022E-04 8 0.2447375E-06 9 0.2258268E-08 v, j, mj = 0 1 0 0 0.7154132E-12 1 0.2858820E-01 2 0.2226763E-01 3 0.1067961E-02 4 0.1249387E-03 5 0.5477433E-04 6 0.1899976E-04 7 0.9147919E-06 8 0.2683401E-07 9 0.2612644E-08 v, j, mj = 0 1 1 0 0.4223500E-03 1 0.7697275E-03 2 0.4262947E-02 3 0.2169295E-03 4 0.3191350E-03 5 0.3823222E-03 6 0.1928544E-03 7 0.2627061E-04 8 0.5883805E-06 9 0.4291903E-08 v, j, mj = 0 3 -3 0 0.4697991E-11 1 0.3950536E-05 2 0.1900344E-02 3 0.1199389E-02 4 0.5976299E-03 5 0.2220546E-03 6 0.4228260E-04 7 0.1936354E-05 8 0.1585568E-07 9 0.1918218E-08 v, j, mj = 0 3 -2 0 0.6353503E-05 1 0.6170827E-02 2 0.1613256E-01 3 0.2173796E-02 4 0.4403250E-03 5 0.1849805E-04 6 0.2289149E-05 7 0.1581337E-06 8 0.6685487E-08 9 0.1490067E-08 v, j, mj = 0 3 -1 0 0.8603535E-10 1 0.4138300E-01 2 0.1370350E-01 3 0.4653470E-03 4 0.1596984E-03 5 0.2607085E-04 6 0.6641465E-05 7 0.7784997E-06 8 0.1829244E-07 9 0.1474678E-08 v, j, mj = 0 3 0 0 0.7030168E-13 1 0.4672409E-01 2 0.1238085E-01 3 0.8978621E-03 4 0.2631171E-03 5 0.4557403E-04 6 0.9816384E-05 7 0.5296543E-06 8 0.2371781E-07 9 0.5075478E-08 v, j, mj = 0 3 1 0 0.2485689E-01 1 0.1215943E-02 2 0.2659875E-01 3 0.2779833E-02 4 0.2844391E-03 5 0.3463867E-04 6 0.1153955E-04 7 0.1328973E-05 8 0.2776645E-07 9 0.1533179E-08 v, j, mj = 0 3 2 0 0.6388683E-12 1 0.1723739E-02 2 0.8553375E-02 3 0.1842824E-02 4 0.7581625E-03 5 0.2315690E-03 6 0.3205229E-04 7 0.1185293E-05 8 0.1252826E-07 9 0.1186803E-08 v, j, mj = 0 3 3 0 0.1097167E-10 1 0.1853455E-02 2 0.2297651E-02 3 0.1628274E-02 4 0.1086178E-02 5 0.4418402E-03 6 0.7578441E-04 7 0.3470632E-05 8 0.1328711E-07 9 0.1728074E-08 v, j, mj = 0 5 -5 0 0.4229783E-06 1 0.1632227E-06 2 0.7647128E-05 3 0.7225601E-04 4 0.4283328E-04 5 0.7328699E-05 6 0.2481157E-06 7 0.1219925E-07 8 0.7270013E-08 9 0.0000000E+00 v, j, mj = 0 5 -4 0 0.3362181E-12 1 0.6232914E-05 2 0.5452472E-03 3 0.5702751E-03 4 0.1035373E-03 5 0.6027052E-05 6 0.7650389E-07 7 0.2420874E-07 8 0.2030828E-08 9 0.0000000E+00 v, j, mj = 0 5 -3 0 0.9967019E-11 1 0.4420010E-03 2 0.5419150E-02 3 0.1850089E-02 4 0.8386540E-04 5 0.6316721E-05 6 0.3763126E-06 7 0.1905621E-07 8 0.1472165E-08 9 0.0000000E+00 v, j, mj = 0 5 -2 0 0.1182255E-05 1 0.1887234E-02 2 0.1151632E-01 3 0.2024121E-02 4 0.3292792E-04 5 0.1913145E-05 6 0.9268668E-07 7 0.6521589E-08 8 0.2375304E-08 9 0.0000000E+00 v, j, mj = 0 5 -1 0 0.4731168E-10 1 0.3193852E-01 2 0.1885014E-01 3 0.2615438E-02 4 0.4504527E-04 5 0.2053819E-05 6 0.2053447E-06 7 0.1315609E-07 8 0.2433856E-08 9 0.0000000E+00 v, j, mj = 0 5 0 0 0.4306289E-12 1 0.1573373E-01 2 0.1798114E-01 3 0.2670288E-02 4 0.1705033E-04 5 0.2154400E-05 6 0.2517115E-06 7 0.9293993E-08 8 0.2215894E-08 9 0.0000000E+00 v, j, mj = 0 5 1 0 0.1890791E+00 1 0.3871439E-01 2 0.4353302E-01 3 0.3833027E-03 4 0.7037237E-04 5 0.6374961E-05 6 0.1144423E-06 7 0.9748702E-08 8 0.2864129E-08 9 0.0000000E+00 v, j, mj = 0 5 2 0 0.5642143E-12 1 0.9248945E-01 2 0.1973911E-02 3 0.6785388E-02 4 0.6273465E-03 5 0.5044705E-04 6 0.1449669E-05 7 0.1684744E-07 8 0.4464945E-08 9 0.0000000E+00 v, j, mj = 0 5 3 0 0.2970521E-10 1 0.3968861E-01 2 0.4875318E-01 3 0.3558599E-02 4 0.4503365E-03 5 0.4095400E-04 6 0.8884944E-06 7 0.1211689E-07 8 0.2237379E-08 9 0.0000000E+00 v, j, mj = 0 5 4 0 0.4388065E-05 1 0.6239588E-02 2 0.2784703E-01 3 0.1543545E-01 4 0.2669102E-02 5 0.2818980E-03 6 0.7007789E-05 7 0.2970400E-07 8 0.1245801E-08 9 0.0000000E+00 v, j, mj = 0 5 5 0 0.9221283E-11 1 0.8794757E-04 2 0.4996350E-02 3 0.9452827E-02 4 0.5552668E-02 5 0.1076092E-02 6 0.4489334E-04 7 0.4738208E-06 8 0.4544317E-08 9 0.0000000E+00 v, j, mj = 0 7 -7 0 0.3566082E-14 1 0.9076648E-08 2 0.1190522E-07 3 0.1367693E-07 4 0.1198241E-07 5 0.2991600E-08 6 0.2799597E-08 7 0.1805475E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -6 0 0.7639031E-14 1 0.4192511E-08 2 0.2033565E-07 3 0.1052695E-07 4 0.5249569E-08 5 0.3051462E-08 6 0.1498412E-08 7 0.1531158E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -5 0 0.1280560E-06 1 0.7345727E-07 2 0.2216388E-06 3 0.1078452E-06 4 0.9312548E-08 5 0.1401718E-07 6 0.2370466E-08 7 0.4210173E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -4 0 0.6621180E-14 1 0.1185733E-06 2 0.1993668E-05 3 0.1586087E-05 4 0.1579335E-06 5 0.7224749E-08 6 0.2926105E-08 7 0.7627505E-10 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -3 0 0.1706634E-12 1 0.2329842E-05 2 0.9297086E-05 3 0.1737739E-04 4 0.6813952E-06 5 0.2907900E-07 6 0.2585517E-08 7 0.1862747E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -2 0 0.1175813E-06 1 0.9213589E-04 2 0.2822979E-03 3 0.2890976E-04 4 0.6655506E-06 5 0.3531075E-07 6 0.7749833E-08 7 0.1766773E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -1 0 0.7668130E-12 1 0.1799770E-02 2 0.5800597E-03 3 0.3822500E-04 4 0.3278430E-05 5 0.4395020E-07 6 0.9020756E-08 7 0.1376133E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 0 0 0.4421609E-14 1 0.2299451E-02 2 0.4321107E-03 3 0.5991759E-04 4 0.1283883E-05 5 0.6452885E-07 6 0.1249197E-07 7 0.6235476E-10 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 1 0 0.2277868E-01 1 0.5681474E-02 2 0.4872132E-03 3 0.6268027E-04 4 0.8778010E-06 5 0.4088515E-07 6 0.3924927E-08 7 0.4119334E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 2 0 0.4131937E-14 1 0.1413955E-01 2 0.5810438E-03 3 0.4466553E-04 4 0.4120818E-05 5 0.2017382E-06 6 0.4200386E-07 7 0.6375949E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 3 0 0.1300781E-11 1 0.7553233E-03 2 0.1222829E-02 3 0.7359994E-04 4 0.6749129E-06 5 0.5272612E-07 6 0.9880897E-08 7 0.3764402E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 4 0 0.1562024E-06 1 0.3660362E-04 2 0.1821631E-03 3 0.6212468E-04 4 0.3437302E-05 5 0.8081556E-07 6 0.1137640E-07 7 0.2776021E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 5 0 0.2268988E-12 1 0.1082205E-04 2 0.3190600E-04 3 0.1386069E-04 4 0.2227854E-05 5 0.1291972E-06 6 0.1331652E-07 7 0.1549545E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 6 0 0.1803605E-13 1 0.2473592E-06 2 0.1302220E-05 3 0.8051538E-06 4 0.1550488E-06 5 0.1622545E-07 6 0.1050513E-07 7 0.6097497E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 7 0 0.1863891E-06 1 0.1009313E-06 2 0.4705202E-06 3 0.2965774E-06 4 0.4270798E-07 5 0.5652352E-07 6 0.1515843E-07 7 0.1462633E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -9 0 0.1031776E-17 1 0.4609875E-11 2 0.1807280E-10 3 0.9650124E-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 = 0 9 -8 0 0.8757970E-11 1 0.6379852E-10 2 0.1806562E-10 3 0.1146764E-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 = 0 9 -7 0 0.2013346E-16 1 0.4251210E-09 2 0.2869011E-09 3 0.2041942E-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 = 0 9 -6 0 0.4812898E-17 1 0.1399267E-09 2 0.2760462E-09 3 0.5248583E-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 = 0 9 -5 0 0.8557263E-09 1 0.2201339E-08 2 0.1387469E-08 3 0.4758811E-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 = 0 9 -4 0 0.4035473E-17 1 0.9637502E-09 2 0.3562192E-08 3 0.1541095E-08 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 9 -3 0 0.9094133E-16 1 0.5214860E-08 2 0.4631291E-08 3 0.4563450E-08 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 9 -2 0 0.1229839E-08 1 0.5816515E-09 2 0.1889742E-07 3 0.3287086E-07 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 9 -1 0 0.3824431E-17 1 0.5586127E-07 2 0.5377170E-07 3 0.4763450E-07 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 9 0 0 0.2988872E-17 1 0.1804522E-06 2 0.1748959E-06 3 0.2190574E-06 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 9 1 0 0.1650764E-05 1 0.1366365E-05 2 0.4362037E-06 3 0.1104332E-06 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 9 2 0 0.2821030E-16 1 0.6039134E-06 2 0.1940059E-06 3 0.2407252E-06 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 9 3 0 0.1513173E-15 1 0.1847705E-07 2 0.2649845E-07 3 0.2545888E-07 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 9 4 0 0.4467030E-08 1 0.5575155E-08 2 0.1096958E-07 3 0.4201650E-07 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 9 5 0 0.7971049E-16 1 0.1269449E-07 2 0.2158240E-08 3 0.5813501E-08 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 9 6 0 0.2106021E-17 1 0.1044820E-08 2 0.4025932E-08 3 0.2059618E-08 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 9 7 0 0.7252492E-08 1 0.3244521E-08 2 0.3560346E-08 3 0.2336939E-08 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 9 8 0 0.1226151E-16 1 0.2144900E-08 2 0.2539197E-08 3 0.5167106E-08 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 9 9 0 0.3716085E-16 1 0.8474989E-09 2 0.1159462E-08 3 0.4696767E-08 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 1 -1 0 0.5527581E-14 1 0.1550908E-05 2 0.2513891E-05 3 0.3586505E-06 4 0.6474726E-08 5 0.1640828E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 1 0 0 0.2112844E-15 1 0.1516492E-04 2 0.6872557E-05 3 0.6873533E-06 4 0.3014299E-07 5 0.8621880E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 1 1 0 0.1446254E-03 1 0.3879475E-03 2 0.1037884E-03 3 0.4318249E-05 4 0.3593756E-07 5 0.9742924E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 -3 0 0.3851845E-16 1 0.1483506E-08 2 0.1759706E-08 3 0.5374583E-08 4 0.3175192E-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 3 -2 0 0.8998341E-10 1 0.4541948E-08 2 0.3284017E-08 3 0.1263172E-07 4 0.1011543E-08 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 -1 0 0.1262252E-16 1 0.1408660E-07 2 0.3253357E-07 3 0.1419275E-07 4 0.8839942E-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 3 0 0 0.6827104E-18 1 0.9938302E-06 2 0.2518094E-06 3 0.2286951E-07 4 0.3097598E-08 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 1 0 0.1141658E-04 1 0.2514560E-04 2 0.4941251E-05 3 0.3099366E-06 4 0.1869612E-08 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 2 0 0.1856577E-16 1 0.3283650E-06 2 0.1031274E-06 3 0.8147980E-07 4 0.1702029E-08 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 3 0 0.1700023E-15 1 0.1561393E-07 2 0.6839677E-08 3 0.9350825E-08 4 0.1380663E-08 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 sum of the probabilities = 1.0016727 average vibrational energy (ev) = 0.000362 average rotational energy (ev) = 0.179136 average diffraction energy (ev) = 0.017203 the reaction probability = -0.1672676D-02 etrans(icomin)= 0.151114 etrans(icomax)= 0.548327 etrans= 0.550000 CPU TIMES Total computation 100178.1726 (a) ... Propagating the wavefunction 98168.0852 (b) Setup time 1727.5423 Saving the wave function for rerun 49.0240 Calculating averages 6.4783 Calculating and saving BK-coeffs 18.7843 Asymptotic analysis 5.2991 Saving the flux coefficients 0.0000 Flux analysis 0.0000 ----------------------------------------------------- Sum 99975.2132 (a) ... FFTs along X and Y 4315.0897 Kinetic energy operation along Z 29221.9439 Kinetic energy operation along r 21700.1558 Potential energy multiplication 11427.1094 Legengre transforms 25107.2887 Shifting the wavefunction 2339.5020 Kinetic energy multiplications (xy) 431.9034 Absorbing the wavefunction 502.5078 Projection formalism 16.1003 Operations on specular grid 0.1699 ----------------------------------------------------- Sum 95061.7709 (b) ... Potential initialisation time 0.0000 Potential setup time 1701.4908 FFTs along X 2242.0157 FFTs along Y 2073.0740 Time spent on FGH for asympwf 0.3971 Ending date and time: Tue Jul 23 06:55:26 CEST 2019