Starting date and time: Tue Jul 23 01:45:05 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 20190723 at 014505.860 *** * 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: v0j5mj4-0.15eV-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: 4 * 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: 4 * 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 = 4 ... *** 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 = 0.32901764E-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 = 107 iz = 108 iz = 109 iz = 110 iz = 111 iz = 112 iz = 113 iz = 114 iz = 115 iz = 116 iz = 117 iz = 118 iz = 119 iz = 120 iz = 121 iz = 122 iz = 123 iz = 124 iz = 125 iz = 126 iz = 127 iz = 128 iz = 129 iz = 130 iz = 131 iz = 132 iz = 133 iz = 134 iz = 135 iz = 136 iz = 137 iz = 138 iz = 139 iz = 140 iz = 141 iz = 142 iz = 143 iz = 146 iz = 145 iz = 150 iz = 144 iz = 149 iz = 154 iz = 148 iz = 153 iz = 158 iz = 152 iz = 157 iz = 162 iz = 156 iz = 161 iz = 160 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 = 0.16954304E+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 = 220 ******************************************************************************** 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 = 11654 ******************************************************************************** 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 1.49162294 0.16829997E-01 0.14500000E+04 0.99999900 13.73855643 1.49163099 0.11939064E-01 0.15000000E+04 0.99999896 13.61215619 1.49164250 0.84968574E-02 0.15500000E+04 0.99999893 13.48573201 1.49164379 0.60728862E-02 0.16000000E+04 0.99999889 13.35928161 1.49164453 0.43625335E-02 0.16500000E+04 0.99999886 13.23280233 1.49164926 0.31518903E-02 0.17000000E+04 0.99999882 13.10629119 1.49165312 0.22914434E-02 0.17500000E+04 0.99999879 12.97974481 1.49166233 0.16769315E-02 0.18000000E+04 0.99999875 12.85315945 1.49168266 0.12356803E-02 0.18500000E+04 0.99999872 12.72653101 1.49170780 0.91697978E-03 0.19000000E+04 0.99999869 12.59985507 1.49172479 0.68536656E-03 0.19500000E+04 0.99999865 12.47312690 1.49174141 0.51595991E-03 0.20000000E+04 0.99999862 12.34634154 1.49176545 0.39123462E-03 0.20500000E+04 0.99999858 12.21949381 1.49178922 0.29879133E-03 0.21000000E+04 0.99999855 12.09257835 1.49181969 0.22981267E-03 0.21500000E+04 0.99999851 11.96558968 1.49186022 0.17799586E-03 0.22000000E+04 0.99999848 11.83852220 1.49190520 0.13881035E-03 0.22500000E+04 0.99999844 11.71137019 1.49194168 0.10898054E-03 0.23000000E+04 0.99999841 11.58412787 1.49197597 0.86124828E-04 0.23500000E+04 0.99999837 11.45678938 1.49201820 0.68500173E-04 0.24000000E+04 0.99999834 11.32934877 1.49205988 0.54823737E-04 0.24500000E+04 0.99999830 11.20180005 1.49210634 0.44145531E-04 0.25000000E+04 0.99999827 11.07413718 1.49216178 0.35757855E-04 0.25500000E+04 0.99999824 10.94635407 1.49221948 0.29130416E-04 0.26000000E+04 0.99999820 10.81844467 1.49226803 0.23863570E-04 0.26500000E+04 0.99999817 10.69040296 1.49231314 0.19654187E-04 0.27000000E+04 0.99999813 10.56222304 1.49236600 0.16271961E-04 0.27500000E+04 0.99999810 10.43389924 1.49241935 0.13539749E-04 0.28000000E+04 0.99999806 10.30542616 1.49247551 0.11321284E-04 0.28500000E+04 0.99999803 10.17679886 1.49254119 0.95110036E-05 0.29000000E+04 0.99999799 10.04801296 1.49260739 0.80266975E-05 0.29500000E+04 0.99999796 9.91906488 1.49266588 0.68037890E-05 0.30000000E+04 0.99999792 9.78995200 1.49272063 0.57920941E-05 0.30500000E+04 0.99999789 9.66067295 1.49278466 0.49513243E-05 0.31000000E+04 0.99999786 9.53122783 1.49285240 0.42496312E-05 0.31500000E+04 0.99999782 9.40161857 1.49292300 0.36615804E-05 0.32000000E+04 0.99999779 9.27184928 1.49300609 0.31667863E-05 0.32500000E+04 0.99999775 9.14192657 1.49309240 0.27488430E-05 0.33000000E+04 0.99999772 9.01186001 1.49317604 0.23944769E-05 0.33500000E+04 0.99999768 8.88166257 1.49326180 0.20928905E-05 0.34000000E+04 0.99999765 8.75135103 1.49336507 0.18352696E-05 0.34500000E+04 0.99999761 8.62094656 1.49348326 0.16144166E-05 0.35000000E+04 0.99999758 8.49047515 1.49361581 0.14244535E-05 0.35500000E+04 0.99999754 8.35996812 1.49377524 0.12603253E-05 0.36000000E+04 0.99999750 8.22946269 1.49395709 0.11185135E-05 0.36500000E+04 0.99999747 8.09900245 1.49415828 0.99541770E-06 0.37000000E+04 0.99999743 7.96863785 1.49438986 0.88822165E-06 0.37500000E+04 0.99999739 7.83842666 1.49467009 0.79457869E-06 0.38000000E+04 0.99999736 7.70843441 1.49500492 0.71255027E-06 0.38500000E+04 0.99999732 7.57873475 1.49539649 0.64052866E-06 0.39000000E+04 0.99999728 7.44940979 1.49586250 0.57715745E-06 0.39500000E+04 0.99999723 7.32055028 1.49640797 0.52106875E-06 0.40000000E+04 0.99999718 7.19225584 1.49703285 0.47167842E-06 0.40500000E+04 0.99999712 7.06463501 1.49775567 0.42791217E-06 0.41000000E+04 0.99999703 6.93780523 1.49859672 0.38902255E-06 0.41500000E+04 0.99999692 6.81189268 1.49956743 0.35435703E-06 0.42000000E+04 0.99999676 6.68703210 1.50066831 0.32335816E-06 0.42500000E+04 0.99999652 6.56336643 1.50191365 0.29557571E-06 0.43000000E+04 0.99999617 6.44104637 1.50330632 0.27066278E-06 0.43500000E+04 0.99999566 6.32022988 1.50483748 0.24814407E-06 0.44000000E+04 0.99999491 6.20108154 1.50651269 0.22814845E-06 0.44500000E+04 0.99999383 6.08377185 1.50833673 0.21018826E-06 0.45000000E+04 0.99999231 5.96847643 1.51030344 0.19397769E-06 0.45500000E+04 0.99999020 5.85537512 1.51239420 0.17926873E-06 0.46000000E+04 0.99998731 5.74465100 1.51459717 0.16587629E-06 0.46500000E+04 0.99998344 5.63648935 1.51689546 0.15367018E-06 0.47000000E+04 0.99997834 5.53107663 1.51925738 0.14254794E-06 0.47500000E+04 0.99997174 5.42859942 1.52165991 0.13241456E-06 0.48000000E+04 0.99996334 5.32924332 1.52408202 0.12318101E-06 0.48500000E+04 0.99995283 5.23319203 1.52648946 0.11477073E-06 0.49000000E+04 0.99993989 5.14062635 1.52883958 0.10711690E-06 0.49500000E+04 0.99992421 5.05172326 1.53109203 0.99945936E-07 0.50000000E+04 0.99990550 4.96665503 1.53321101 0.93591866E-07 0.50500000E+04 0.99988353 4.88558826 1.53515486 0.87763566E-07 0.51000000E+04 0.99985811 4.80868286 1.53689711 0.82380346E-07 0.51500000E+04 0.99982916 4.73609084 1.53842894 0.77381566E-07 0.52000000E+04 0.99979668 4.66795495 1.53974621 0.72730493E-07 0.52500000E+04 0.99976081 4.60440714 1.54085135 0.68405608E-07 0.53000000E+04 0.99972180 4.54556703 1.54175502 0.64389651E-07 0.53500000E+04 0.99968004 4.49154044 1.54247342 0.60664212E-07 0.54000000E+04 0.99963605 4.44241841 1.54301312 0.57210385E-07 0.54500000E+04 0.99959044 4.39827660 1.54337539 0.54012360E-07 0.55000000E+04 0.99954390 4.35917535 1.54355803 0.51052857E-07 0.55500000E+04 0.99949719 4.32516033 1.54354610 0.48133008E-07 0.56000000E+04 0.99945106 4.29626355 1.54331839 0.45606151E-07 0.56500000E+04 0.99940624 4.27250458 1.54286196 0.43256832E-07 0.57000000E+04 0.99936341 4.25389156 1.54218237 0.41079398E-07 0.57500000E+04 0.99932312 4.24042175 1.54130432 0.39041662E-07 0.58000000E+04 0.99928583 4.23208166 1.54027090 0.37122588E-07 0.58500000E+04 0.99925185 4.22884658 1.53913802 0.35351034E-07 0.59000000E+04 0.99922135 4.23068026 1.53795217 0.33689150E-07 0.59500000E+04 0.99919438 4.23753468 1.53673518 0.32130081E-07 0.60000000E+04 0.99917084 4.24935056 1.53548128 0.30695366E-07 0.60500000E+04 0.99915057 4.26605842 1.53416377 0.29257107E-07 0.61000000E+04 0.99913330 4.28758000 1.53275163 0.27885417E-07 0.61500000E+04 0.99911875 4.31382972 1.53123133 0.26749669E-07 0.62000000E+04 0.99910658 4.34471563 1.52962444 0.25382239E-07 0.62500000E+04 0.99909647 4.38013973 1.52798140 0.24097119E-07 0.63000000E+04 0.99908811 4.41999797 1.52636081 0.23205809E-07 0.63500000E+04 0.99908120 4.46418002 1.52480551 0.22299705E-07 0.64000000E+04 0.99907548 4.51256950 1.52332367 0.20954192E-07 0.64500000E+04 0.99907075 4.56504474 1.52188726 0.20188416E-07 0.65000000E+04 0.99906681 4.62147997 1.52045183 0.20036662E-07 0.65500000E+04 0.99906351 4.68174671 1.51898800 0.18831250E-07 0.66000000E+04 0.99906073 4.74571478 1.51750149 0.17407971E-07 0.66500000E+04 0.99905838 4.81325294 1.51603098 0.18179787E-07 0.67000000E+04 0.99905639 4.88422899 1.51462722 0.19079868E-07 0.67500000E+04 0.99905468 4.95850970 1.51332352 0.17230680E-07 0.68000000E+04 0.99905322 5.03596097 1.51211704 0.16986239E-07 ==> ZAnalysis on specular channel fixed at Z = 0.16800000E+02 0.68500000E+04 0.99905197 5.11644819 1.51097369 0.22753464E-07 0.69000000E+04 0.99905089 5.19983694 1.50985336 0.27583543E-07 0.69500000E+04 0.99904995 5.28599382 1.50873724 0.27569326E-07 0.70000000E+04 0.99904914 5.37478707 1.50763907 0.34428817E-07 0.70500000E+04 0.99904842 5.46608696 1.50659475 0.56233853E-07 0.71000000E+04 0.99904779 5.55976599 1.50563621 0.80871508E-07 0.71500000E+04 0.99904721 5.65569889 1.50476885 0.10111020E-06 0.72000000E+04 0.99904666 5.75376270 1.50396908 0.13847886E-06 0.72500000E+04 0.99904612 5.85383706 1.50320246 0.21630825E-06 0.73000000E+04 0.99904554 5.95580444 1.50244817 0.32580930E-06 0.73500000E+04 0.99904489 6.05955050 1.50171178 0.45235934E-06 0.74000000E+04 0.99904411 6.16496433 1.50101875 0.62937007E-06 0.74500000E+04 0.99904311 6.27193857 1.50039309 0.92806659E-06 0.75000000E+04 0.99904181 6.38036944 1.49983755 0.13871700E-05 0.75500000E+04 0.99904007 6.49015668 1.49933099 0.20014392E-05 0.76000000E+04 0.99903770 6.60120349 1.49884437 0.28172093E-05 0.76500000E+04 0.99903449 6.71341650 1.49836210 0.40001843E-05 0.77000000E+04 0.99903014 6.82670567 1.49789223 0.57479421E-05 0.77500000E+04 0.99902426 6.94098425 1.49745821 0.81651871E-05 0.78000000E+04 0.99901638 7.05616864 1.49707887 0.11320780E-04 0.78500000E+04 0.99900587 7.17217825 1.49675183 0.15445946E-04 0.79000000E+04 0.99899199 7.28893529 1.49645385 0.20983270E-04 0.79500000E+04 0.99897380 7.40636449 1.49615797 0.28382081E-04 0.80000000E+04 0.99895017 7.52439285 1.49585360 0.37926082E-04 0.80500000E+04 0.99891973 7.64294939 1.49555377 0.49874744E-04 0.81000000E+04 0.99888087 7.76196483 1.49528404 0.64775015E-04 0.81500000E+04 0.99883168 7.88137146 1.49506137 0.83532921E-04 0.82000000E+04 0.99876997 8.00110294 1.49487940 0.10712967E-03 0.82500000E+04 0.99869321 8.12109411 1.49471211 0.13634870E-03 0.83000000E+04 0.99859850 8.24128094 1.49453317 0.17190689E-03 0.83500000E+04 0.99848263 8.36160033 1.49433572 0.21488097E-03 0.84000000E+04 0.99834198 8.48199000 1.49413722 0.26691355E-03 0.84500000E+04 0.99817256 8.60238844 1.49396541 0.32992564E-03 0.85000000E+04 0.99796996 8.72273477 1.49383607 0.40565011E-03 0.85500000E+04 0.99772937 8.84296870 1.49373966 0.49553200E-03 0.86000000E+04 0.99744553 8.96303039 1.49364798 0.60111598E-03 0.86500000E+04 0.99711271 9.08286031 1.49353559 0.72445985E-03 0.87000000E+04 0.99672466 9.20239899 1.49339919 0.86806730E-03 0.87500000E+04 0.99627460 9.32158681 1.49325991 0.10343736E-02 0.88000000E+04 0.99575516 9.44036374 1.49314669 0.12253355E-02 0.88500000E+04 0.99515835 9.55866923 1.49307341 0.14425818E-02 0.89000000E+04 0.99447553 9.67644212 1.49302749 0.16880488E-02 0.89500000E+04 0.99369746 9.79362082 1.49297915 0.19645707E-02 0.90000000E+04 0.99281434 9.91014361 1.49290450 0.22759830E-02 0.90500000E+04 0.99181583 10.02594912 1.49280381 0.26267560E-02 0.91000000E+04 0.99069125 10.14097711 1.49270103 0.30215454E-02 0.91500000E+04 0.98942969 10.25516935 1.49262499 0.34650321E-02 0.92000000E+04 0.98802020 10.36847067 1.49258677 0.39620532E-02 0.92500000E+04 0.98645201 10.48083008 1.49257069 0.45177047E-02 0.93000000E+04 0.98471478 10.59220188 1.49254634 0.51370510E-02 0.93500000E+04 0.98279875 10.70254665 1.49249252 0.58243905E-02 0.94000000E+04 0.98069498 10.81183198 1.49241380 0.65823218E-02 0.94500000E+04 0.97839544 10.92003292 1.49233676 0.74109941E-02 0.95000000E+04 0.97589310 11.02713195 1.49228907 0.83077815E-02 0.95500000E+04 0.97318188 11.13311861 1.49227758 0.92674542E-02 0.96000000E+04 0.97025657 11.23798851 1.49228219 0.10282760E-01 0.96500000E+04 0.96711259 11.34174213 1.49227118 0.11345156E-01 0.97000000E+04 0.96374581 11.44438319 1.49222610 0.12445403E-01 0.97500000E+04 0.96015221 11.54591699 1.49215655 0.13573963E-01 0.98000000E+04 0.95632762 11.64634883 1.49209303 0.14721287E-01 0.98500000E+04 0.95226753 11.74568262 1.49206358 0.15878199E-01 0.99000000E+04 0.94796689 11.84391992 1.49207195 0.17036368E-01 0.99500000E+04 0.94342006 11.94105940 1.49209391 0.18188655E-01 0.10000000E+05 0.93862082 12.03709679 1.49209543 0.19329266E-01 0.10050000E+05 0.93356247 12.13202523 1.49205884 0.20453682E-01 0.10100000E+05 0.92823800 12.22583591 1.49199653 0.21558358E-01 0.10150000E+05 0.92264029 12.31851899 1.49194124 0.22640179E-01 0.10200000E+05 0.91676233 12.41006444 1.49192100 0.23695780E-01 0.10250000E+05 0.91059745 12.50046292 1.49193763 0.24720936E-01 0.10300000E+05 0.90413951 12.58970653 1.49196509 0.25710296E-01 0.10350000E+05 0.89738303 12.67778931 1.49196963 0.26657482E-01 0.10400000E+05 0.89032336 12.76470754 1.49193632 0.27555479E-01 0.10450000E+05 0.88295669 12.85045983 1.49188092 0.28397233E-01 0.10500000E+05 0.87528011 12.93504697 1.49183744 0.29176237E-01 0.10550000E+05 0.86729167 13.01847167 1.49183166 0.29886866E-01 0.10600000E+05 0.85899027 13.10073812 1.49186056 0.30524479E-01 0.10650000E+05 0.85037574 13.18185153 1.49189364 0.31085396E-01 0.10700000E+05 0.84144877 13.26181763 1.49189595 0.31566832E-01 0.10750000E+05 0.83221091 13.34064224 1.49185563 0.31966815E-01 0.10800000E+05 0.82266455 13.41833085 1.49179413 0.32284122E-01 0.10850000E+05 0.81281298 13.49488833 1.49175067 0.32518265E-01 0.10900000E+05 0.80266034 13.57031876 1.49175293 0.32669518E-01 0.10950000E+05 0.79221166 13.64462534 1.49179564 0.32738865E-01 0.11000000E+05 0.78147291 13.71781040 1.49184316 0.32727970E-01 0.11050000E+05 0.77045098 13.78987562 1.49185522 0.32639193E-01 0.11100000E+05 0.75915372 13.86082221 1.49181697 0.32475560E-01 0.11150000E+05 0.74758996 13.93065128 1.49175064 0.32240609E-01 0.11200000E+05 0.73576955 13.99936422 1.49169946 0.31938220E-01 0.11250000E+05 0.72370342 14.06696315 1.49169624 0.31572584E-01 0.11300000E+05 0.71140352 14.13345139 1.49173943 0.31148200E-01 0.11350000E+05 0.69888293 14.19883384 1.49179375 0.30669808E-01 0.11400000E+05 0.68615581 14.26311731 1.49181582 0.30142298E-01 0.11450000E+05 0.67323735 14.32631072 1.49178618 0.29570681E-01 0.11500000E+05 0.66014373 14.38842513 1.49172361 0.28960025E-01 0.11550000E+05 0.64689200 14.44947358 1.49167112 0.28315323E-01 0.11600000E+05 0.63349997 14.50947079 1.49166439 0.27641478E-01 0.11650000E+05 0.61998605 14.56843270 1.49170573 0.26943441E-01 0.11700000E+05 0.60636913 14.62637594 1.49176215 0.26226309E-01 0.11750000E+05 0.59266841 14.68331728 1.49178945 0.25495222E-01 0.11800000E+05 0.57890327 14.73927313 1.49176487 0.24755135E-01 0.11850000E+05 0.56509318 14.79425909 1.49170371 0.24010565E-01 0.11900000E+05 0.55125759 14.84828969 1.49164772 0.23265348E-01 0.11950000E+05 0.53741583 14.90137819 1.49163483 0.22522512E-01 0.12000000E+05 0.52358702 14.95353656 1.49167215 0.21784432E-01 0.12050000E+05 0.50979004 15.00477555 1.49173134 0.21053214E-01 0.12100000E+05 0.49604341 15.05510479 1.49176934 0.20330977E-01 0.12150000E+05 0.48236525 15.10453297 1.49175930 0.19619875E-01 0.12200000E+05 0.46877316 15.15306803 1.49170861 0.18921928E-01 0.12250000E+05 0.45528421 15.20071726 1.49165168 0.18238853E-01 0.12300000E+05 0.44191482 15.24748748 1.49162455 0.17571988E-01 0.12350000E+05 0.42868073 15.29338516 1.49164067 0.16922390E-01 0.12400000E+05 0.41559696 15.33841646 1.49168413 0.16291086E-01 0.12450000E+05 0.40267775 15.38258741 1.49172346 0.15679313E-01 0.12500000E+05 0.38993652 15.42590389 1.49173454 0.15088535E-01 0.12550000E+05 0.37738587 15.46837177 1.49171526 0.14520256E-01 0.12600000E+05 0.36503753 15.50999693 1.49168251 0.13975828E-01 0.12650000E+05 0.35290236 15.55078532 1.49165683 0.13456379E-01 0.12700000E+05 0.34099034 15.59074304 1.49164842 0.12962877E-01 0.12750000E+05 0.32931056 15.62987636 1.49165406 0.12496226E-01 0.12800000E+05 0.31787123 15.66819188 1.49166450 0.12057333E-01 0.12850000E+05 0.30667971 15.70569652 1.49167412 0.11647063E-01 0.12900000E+05 0.29574247 15.74239776 1.49168357 0.11266078E-01 0.12950000E+05 0.28506519 15.77830367 1.49169411 0.10914685E-01 0.13000000E+05 0.27465272 15.81342318 1.49170124 0.10592802E-01 0.13050000E+05 0.26450910 15.84776616 1.49169599 0.10300045E-01 0.13100000E+05 0.25463766 15.88134366 1.49167349 0.10035830E-01 0.13150000E+05 0.24504095 15.91416806 1.49164113 0.97994092E-02 0.13200000E+05 0.23572081 15.94625321 1.49161804 0.95898328E-02 0.13250000E+05 0.22667840 15.97761462 1.49162308 0.94058809E-02 0.13300000E+05 0.21791419 16.00826953 1.49165892 0.92460217E-02 0.13350000E+05 0.20942799 16.03823699 1.49170617 0.91084466E-02 0.13400000E+05 0.20121900 16.06753792 1.49173439 0.89911716E-02 0.13450000E+05 0.19328579 16.09619504 1.49172227 0.88921323E-02 0.13500000E+05 0.18562632 16.12423287 1.49167266 0.88092231E-02 0.13550000E+05 0.17823803 16.15167763 1.49161341 0.87402839E-02 0.13600000E+05 0.17111777 16.17855721 1.49158154 0.86830948E-02 0.13650000E+05 0.16426192 16.20490102 1.49159899 0.86354148E-02 0.13700000E+05 0.15766633 16.23073999 1.49165726 0.85950385E-02 0.13750000E+05 0.15132645 16.25610646 1.49172254 0.85598602E-02 0.13800000E+05 0.14523730 16.28103412 1.49175566 0.85279179E-02 0.13850000E+05 0.13939351 16.30555796 1.49173385 0.84974054E-02 0.13900000E+05 0.13378939 16.32971422 1.49166549 0.84666712E-02 0.13950000E+05 0.12841897 16.35354045 1.49158886 0.84342211E-02 0.14000000E+05 0.12327599 16.37707550 1.49155093 0.83987426E-02 0.14050000E+05 0.11835402 16.40035965 1.49157878 0.83591283E-02 0.14100000E+05 0.11364643 16.42343476 1.49166171 0.83144786E-02 0.14150000E+05 0.10914649 16.44634440 1.49175318 0.82640979E-02 0.14200000E+05 0.10484736 16.46913403 1.49179336 0.82074816E-02 0.14250000E+05 0.10074216 16.49185119 1.49174705 0.81442996E-02 0.14300000E+05 0.09682399 16.51454555 1.49163420 0.80743846E-02 0.14350000E+05 0.09308597 16.53726905 1.49152493 0.79977214E-02 0.14400000E+05 0.08952125 16.56007584 1.49149717 0.79144306E-02 0.14450000E+05 0.08612307 16.58302219 1.49158211 0.78247314E-02 0.14500000E+05 0.08288472 16.60616626 1.49173263 0.77289073E-02 0.14550000E+05 0.07979963 16.62956775 1.49184417 0.76272969E-02 0.14600000E+05 0.07686134 16.65328748 1.49182715 0.75202900E-02 0.14650000E+05 0.07406352 16.67738676 1.49168029 0.74083209E-02 0.14700000E+05 0.07139998 16.70192672 1.49150207 0.72918584E-02 0.14750000E+05 0.06886470 16.72696752 1.49142598 0.71713941E-02 0.14800000E+05 0.06645178 16.75256749 1.49152103 0.70474262E-02 0.14850000E+05 0.06415552 16.77878219 1.49172822 0.69204330E-02 0.14900000E+05 0.06197034 16.80566340 1.49189220 0.67908574E-02 0.14950000E+05 0.05989086 16.83325824 1.49187963 0.66591077E-02 0.15000000E+05 0.05791183 16.86160810 1.49169033 0.65255615E-02 0.15050000E+05 0.05602818 16.89074782 1.49146430 0.63905707E-02 0.15100000E+05 0.05423500 16.92070482 1.49137815 0.62544634E-02 0.15150000E+05 0.05252753 16.95149832 1.49150764 0.61175470E-02 0.15200000E+05 0.05090116 16.98313883 1.49175825 0.59801137E-02 0.15250000E+05 0.04935146 17.01562759 1.49193076 0.58424408E-02 0.15300000E+05 0.04787414 17.04895639 1.49188318 0.57047923E-02 0.15350000E+05 0.04646504 17.08310737 1.49165123 0.55674153E-02 0.15400000E+05 0.04512021 17.11805319 1.49141936 0.54305363E-02 0.15450000E+05 0.04383579 17.15375725 1.49137278 0.52943626E-02 0.15500000E+05 0.04260811 17.19017414 1.49155033 0.51590827E-02 0.15550000E+05 0.04143365 17.22725031 1.49180887 0.50248703E-02 0.15600000E+05 0.04030903 17.26492480 1.49193639 0.48918889E-02 0.15650000E+05 0.03923103 17.30313021 1.49183006 0.47602945E-02 0.15700000E+05 0.03819660 17.34179367 1.49158249 0.46302388E-02 0.15750000E+05 0.03720281 17.38083799 1.49139790 0.45018659E-02 0.15800000E+05 0.03624692 17.42018278 1.49142197 0.43753117E-02 0.15850000E+05 0.03532634 17.45974564 1.49162842 0.42507012E-02 0.15900000E+05 0.03443862 17.49944326 1.49184344 0.41281457E-02 0.15950000E+05 0.03358148 17.53919262 1.49189042 0.40077433E-02 0.16000000E+05 0.03275280 17.57891192 1.49173894 0.38895807E-02 0.16050000E+05 0.03195058 17.61852163 1.49152488 0.37737366E-02 0.16100000E+05 0.03117301 17.65794528 1.49142542 0.36602760E-02 0.16150000E+05 0.03041840 17.69711023 1.49151165 0.35492422E-02 0.16200000E+05 0.02968520 17.73594824 1.49170115 0.34406620E-02 0.16250000E+05 0.02897199 17.77439601 1.49183288 0.33345598E-02 0.16300000E+05 0.02827751 17.81239550 1.49180263 0.32309640E-02 0.16350000E+05 0.02760059 17.84989415 1.49164874 0.31298943E-02 0.16400000E+05 0.02694018 17.88684505 1.49150971 0.30313457E-02 0.16450000E+05 0.02629535 17.92320693 1.49149682 0.29352973E-02 0.16500000E+05 0.02566527 17.95894412 1.49160624 0.28417341E-02 0.16550000E+05 0.02504919 17.99402634 1.49173698 0.27506540E-02 0.16600000E+05 0.02444646 18.02842854 1.49177962 0.26620475E-02 0.16650000E+05 0.02385649 18.06213059 1.49170616 0.25758754E-02 0.16700000E+05 0.02327879 18.09511699 1.49159066 0.24920793E-02 0.16750000E+05 0.02271290 18.12737648 1.49153669 0.24106146E-02 0.16800000E+05 0.02215843 18.15890173 1.49158197 0.23314659E-02 0.16850000E+05 0.02161504 18.18968892 1.49167549 0.22546223E-02 0.16900000E+05 0.02108242 18.21973737 1.49173406 0.21800440E-02 0.16950000E+05 0.02056033 18.24904917 1.49171108 0.21076616E-02 0.17000000E+05 0.02004852 18.27762883 1.49163126 0.20374107E-02 0.17050000E+05 0.01954679 18.30548293 1.49156962 0.19692591E-02 0.17100000E+05 0.01905497 18.33261980 1.49158176 0.19031940E-02 0.17150000E+05 0.01857288 18.35904919 1.49165116 0.18391863E-02 0.17200000E+05 0.01810038 18.38478206 1.49171142 0.17771748E-02 0.17250000E+05 0.01763734 18.40983027 1.49171194 0.17170881E-02 0.17300000E+05 0.01718363 18.43420642 1.49165496 0.16588773E-02 0.17350000E+05 0.01673914 18.45792364 1.49158893 0.16025200E-02 0.17400000E+05 0.01630375 18.48099542 1.49157203 0.15479914E-02 0.17450000E+05 0.01587737 18.50343546 1.49162084 0.14952379E-02 0.17500000E+05 0.01545987 18.52525761 1.49169138 0.14441861E-02 0.17550000E+05 0.01505117 18.54647572 1.49172176 0.13947761E-02 0.17600000E+05 0.01465117 18.56710361 1.49168972 0.13469823E-02 0.17650000E+05 0.01425977 18.58715500 1.49162368 0.13007941E-02 0.17700000E+05 0.01387686 18.60664349 1.49157545 0.12561787E-02 0.17750000E+05 0.01350236 18.62558249 1.49158433 0.12130681E-02 0.17800000E+05 0.01313616 18.64398524 1.49164419 0.11713834E-02 0.17850000E+05 0.01277816 18.66186477 1.49170431 0.11310724E-02 0.17900000E+05 0.01242827 18.67923397 1.49171566 0.10921181E-02 0.17950000E+05 0.01208638 18.69610549 1.49167417 0.10545114E-02 0.18000000E+05 0.01175239 18.71249180 1.49161564 0.10182192E-02 0.18050000E+05 0.01142620 18.72840520 1.49158364 0.98317943E-03 0.18100000E+05 0.01110769 18.74385776 1.49160172 0.94932735E-03 0.18150000E+05 0.01079678 18.75886141 1.49165427 0.91661937E-03 0.18200000E+05 0.01049334 18.77342789 1.49169674 0.88503195E-03 0.18250000E+05 0.01019727 18.78756876 1.49169738 0.85454057E-03 0.18300000E+05 0.00990845 18.80129543 1.49166331 0.82510551E-03 0.18350000E+05 0.00962679 18.81461911 1.49162475 0.79667947E-03 0.18400000E+05 0.00935216 18.82755087 1.49160841 0.76922588E-03 0.18450000E+05 0.00908445 18.84010153 1.49162377 0.74272561E-03 0.18500000E+05 0.00882354 18.85228176 1.49165528 0.71716401E-03 0.18550000E+05 0.00856932 18.86410202 1.49167460 0.69251259E-03 0.18600000E+05 0.00832167 18.87557255 1.49167076 0.66872480E-03 0.18650000E+05 0.00808048 18.88670340 1.49165685 0.64574939E-03 0.18700000E+05 0.00784562 18.89750438 1.49164676 0.62354791E-03 0.18750000E+05 0.00761697 18.90798503 1.49164325 0.60210100E-03 0.18800000E+05 0.00739442 18.91815466 1.49164520 0.58140068E-03 0.18850000E+05 0.00717784 18.92802230 1.49164774 0.56143754E-03 0.18900000E+05 0.00696711 18.93759675 1.49164581 0.54219300E-03 0.18950000E+05 0.00676212 18.94688657 1.49164643 0.52363941E-03 0.19000000E+05 0.00656274 18.95590004 1.49165929 0.50574443E-03 0.19050000E+05 0.00636885 18.96464517 1.49167495 0.48847517E-03 0.19100000E+05 0.00618033 18.97312966 1.49167451 0.47180120E-03 0.19150000E+05 0.00599707 18.98136098 1.49165674 0.45569686E-03 0.19200000E+05 0.00581894 18.98934633 1.49163566 0.44014315E-03 0.19250000E+05 0.00564582 18.99709268 1.49162530 0.42512795E-03 0.19300000E+05 0.00547761 19.00460676 1.49163721 0.41064354E-03 0.19350000E+05 0.00531418 19.01189506 1.49166938 0.39668212E-03 0.19400000E+05 0.00515541 19.01896381 1.49169528 0.38323114E-03 0.19450000E+05 0.00500121 19.02581899 1.49168913 0.37027085E-03 0.19500000E+05 0.00485144 19.03246633 1.49165883 0.35777549E-03 0.19550000E+05 0.00470601 19.03891135 1.49163193 0.34571732E-03 0.19600000E+05 0.00456480 19.04515938 1.49162515 0.33407154E-03 0.19650000E+05 0.00442770 19.05121554 1.49164253 0.32281957E-03 0.19700000E+05 0.00429462 19.05708471 1.49167527 0.31194973E-03 0.19750000E+05 0.00416544 19.06277160 1.49169758 0.30145546E-03 0.19800000E+05 0.00404006 19.06828068 1.49168959 0.29133252E-03 0.19850000E+05 0.00391838 19.07361626 1.49166377 0.28157622E-03 0.19900000E+05 0.00380031 19.07878245 1.49164500 0.27217867E-03 0.19950000E+05 0.00368574 19.08378326 1.49164070 0.26312661E-03 0.20000000E+05 0.00357458 19.08862256 1.49164966 0.25440111E-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 -0.008600 1.50169 2 0.1554312 -0.017499 0.95443 3 0.1597487 -0.014823 0.43098 4 0.1640662 -0.004696 -0.08077 5 0.1683837 0.005427 -0.59268 6 0.1727013 0.009575 -1.11041 7 0.1770188 0.006649 -1.62819 8 0.1813363 0.000284 -2.13150 9 0.1856539 -0.004416 -2.60932 10 0.1899714 -0.004635 -3.06381 11 0.1942889 -0.001342 2.77465 12 0.1986065 0.002187 2.32403 13 0.2029240 0.003247 1.86195 14 0.2072415 0.001596 1.40037 15 0.2115591 -0.000863 0.95837 16 0.2158766 -0.001956 0.54138 17 0.2201941 -0.000978 0.13626 18 0.2245117 0.000930 -0.27513 19 0.2288292 0.001892 -0.69709 20 0.2331467 0.000980 -1.11254 21 0.2374643 -0.000883 -1.50231 22 0.2417818 -0.001716 -1.86796 23 0.2460993 -0.000514 -2.22743 24 0.2504169 0.001454 -2.59376 25 0.2547344 0.001822 -2.95907 26 0.2590519 -0.000061 2.97917 27 0.2633695 -0.001989 2.65969 28 0.2676870 -0.001388 2.35144 29 0.2720045 0.001208 2.03902 30 0.2763221 0.002416 1.72443 31 0.2806396 0.000399 1.42409 32 0.2849571 -0.002283 1.14530 33 0.2892746 -0.001842 0.87650 34 0.2935922 0.001292 0.60264 35 0.2979097 0.002655 0.32478 36 0.3022272 0.000086 0.05859 37 0.3065448 -0.002774 -0.18907 38 0.3108623 -0.001598 -0.43008 39 0.3151798 0.001955 -0.67808 40 0.3194974 0.002428 -0.92880 41 0.3238149 -0.001031 -1.16601 42 0.3281324 -0.003042 -1.38684 43 0.3324500 -0.000345 -1.60594 44 0.3367675 0.002798 -1.83326 45 0.3410850 0.001268 -2.05823 46 0.3454026 -0.002477 -2.26634 47 0.3497201 -0.002241 -2.46290 48 0.3540376 0.001612 -2.66444 49 0.3583552 0.002586 -2.87240 50 0.3626727 -0.001017 -3.07002 51 0.3669902 -0.003069 3.03243 52 0.3713078 -0.000056 2.85371 53 0.3756253 0.002767 2.66514 54 0.3799428 0.000461 2.47833 55 0.3842604 -0.002900 2.30870 56 0.3885779 -0.001384 2.14802 57 0.3928954 0.002242 1.97835 58 0.3972129 0.001449 1.80318 59 0.4015305 -0.002286 1.64234 60 0.4058480 -0.002156 1.49569 61 0.4101655 0.001566 1.34292 62 0.4144831 0.002040 1.17954 63 0.4188006 -0.001544 1.02658 64 0.4231181 -0.002499 0.89151 65 0.4274357 0.000898 0.75379 66 0.4317532 0.002221 0.60220 67 0.4360707 -0.001009 0.45737 68 0.4403883 -0.002653 0.33298 69 0.4447058 0.000384 0.20878 70 0.4490233 0.002244 0.06819 71 0.4533409 -0.000681 -0.06838 72 0.4576584 -0.002772 -0.18229 73 0.4619759 0.000008 -0.29417 74 0.4662935 0.002221 -0.42492 75 0.4706110 -0.000499 -0.55317 76 0.4749285 -0.002766 -0.65652 77 0.4792461 0.000040 -0.75780 78 0.4835636 0.002446 -0.88106 79 0.4878811 -0.000373 -1.00150 80 0.4921987 -0.002725 -1.09419 81 0.4965162 0.000314 -1.18668 82 0.5008337 0.002657 -1.30469 83 0.5051512 -0.000572 -1.41680 84 0.5094688 -0.002689 -1.49814 85 0.5137863 0.000960 -1.58430 86 0.5181038 0.002944 -1.69972 87 0.5224214 -0.000898 -1.80249 88 0.5267389 -0.002267 -1.87217 89 0.5310564 0.002188 -1.95559 90 0.5353740 0.003300 -2.07039 91 0.5396915 -0.001003 -2.16108 92 0.5440090 -0.000750 -2.21964 93 0.5483266 0.004458 -2.30611 ******************************************************************************** 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 0.9983662E+00 0.1311321E-01 0.2123479E+00 1 0.0000000E+00 0.0000000E+00 0.0000000E+00 ************************************ diffraction summed probabilities ************************************ v irot j m probability 0 21 1 -1 0.2060874E-05 0 26 1 0 0.9878333E-05 0 31 1 1 0.3608778E-04 0 13 3 -3 0.5258293E-07 0 17 3 -2 0.2602523E-06 0 22 3 -1 0.7789451E-06 0 27 3 0 0.1224611E-04 0 32 3 1 0.6132881E-04 0 36 3 2 0.7225724E-03 0 40 3 3 0.8856206E-03 0 7 5 -5 0.2891050E-09 0 10 5 -4 0.1756447E-08 0 14 5 -3 0.9646129E-08 0 18 5 -2 0.2102714E-06 0 23 5 -1 0.2634643E-06 0 28 5 0 0.9635632E-05 0 33 5 1 0.9881375E-04 0 37 5 2 0.3655228E-02 0 41 5 3 0.6444958E-01 0 44 5 4 0.8559515E+00 0 47 5 5 0.7246715E-01 0 3 7 -7 0.3131023E-13 0 5 7 -6 0.1059383E-13 0 8 7 -5 0.2103948E-12 0 11 7 -4 0.1861136E-11 0 15 7 -3 0.6203719E-10 0 19 7 -2 0.3426148E-08 0 24 7 -1 0.1325293E-09 0 29 7 0 0.2511859E-09 0 34 7 1 0.4266288E-08 0 38 7 2 0.5017976E-07 0 42 7 3 0.2552042E-07 0 45 7 4 0.2077925E-05 0 48 7 5 0.4216940E-06 0 50 7 6 0.2704247E-06 0 52 7 7 0.5233406E-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 0.9488169E-17 1 0.1331324E-07 2 0.8978565E-06 3 0.7419824E-06 4 0.1160752E-06 5 0.1222299E-06 6 0.1190178E-06 7 0.4934723E-07 8 0.1052374E-08 9 0.0000000E+00 v, j, mj = 0 1 0 0 0.5063875E-16 1 0.9056626E-06 2 0.5506191E-05 3 0.2059072E-05 4 0.1074929E-05 5 0.2204414E-06 6 0.8640134E-07 7 0.2558844E-07 8 0.4703351E-10 9 0.0000000E+00 v, j, mj = 0 1 1 0 0.2020711E-06 1 0.9712532E-05 2 0.1972601E-04 3 0.2875094E-05 4 0.2447425E-05 5 0.8398567E-06 6 0.2326412E-06 7 0.5133520E-07 8 0.8231263E-09 9 0.0000000E+00 v, j, mj = 0 3 -3 0 0.2823718E-16 1 0.1133382E-07 2 0.1195788E-08 3 0.8907692E-08 4 0.6476613E-08 5 0.7696135E-08 6 0.1155011E-07 7 0.5422765E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 3 -2 0 0.3523593E-07 1 0.1863329E-07 2 0.2984871E-07 3 0.4995217E-07 4 0.4393909E-07 5 0.5268897E-07 6 0.2526274E-07 7 0.4691353E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 3 -1 0 0.5582902E-16 1 0.1569298E-06 2 0.7235328E-07 3 0.3565944E-06 4 0.1505618E-06 5 0.2613890E-07 6 0.1306619E-07 7 0.3300761E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 3 0 0 0.1050408E-15 1 0.2611002E-05 2 0.5432893E-05 3 0.3051310E-05 4 0.6930312E-06 5 0.3308465E-06 6 0.1165335E-06 7 0.1049088E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 3 1 0 0.8895787E-07 1 0.2999303E-05 2 0.3799080E-04 3 0.1465179E-04 4 0.4785162E-05 5 0.7411611E-06 6 0.5992709E-07 7 0.1170411E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 3 2 0 0.2760111E-15 1 0.4461931E-03 2 0.1484776E-03 3 0.9532068E-04 4 0.2976596E-04 5 0.2698979E-05 6 0.1123578E-06 7 0.3657336E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 3 3 0 0.1700105E-16 1 0.2661684E-03 2 0.1254176E-03 3 0.3944841E-03 4 0.9663412E-04 5 0.2827435E-05 6 0.5795544E-07 7 0.3108497E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 -5 0 0.4947079E-12 1 0.5983882E-11 2 0.1078256E-10 3 0.2008360E-10 4 0.5256734E-10 5 0.1991929E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 -4 0 0.1018846E-15 1 0.9255680E-11 2 0.1298556E-09 3 0.3038679E-09 4 0.6862898E-09 5 0.6271779E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 -3 0 0.1750948E-16 1 0.1018626E-08 2 0.3479312E-08 3 0.3549178E-08 4 0.1083869E-08 5 0.5151438E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 -2 0 0.1171899E-07 1 0.2529001E-07 2 0.6302846E-07 3 0.2686392E-07 4 0.6243574E-07 5 0.2093431E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 -1 0 0.7956401E-17 1 0.6103226E-07 2 0.9917069E-07 3 0.1573976E-07 4 0.4069314E-07 5 0.4682846E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 0 0 0.9888513E-18 1 0.2327072E-05 2 0.4395524E-05 3 0.1396219E-05 4 0.1235655E-05 5 0.2811606E-06 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 1 0 0.2283280E-06 1 0.1283039E-04 2 0.6813529E-04 3 0.1663605E-04 4 0.7394184E-06 5 0.2442780E-06 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 2 0 0.3250674E-16 1 0.1337784E-02 2 0.2031992E-02 3 0.2727534E-03 4 0.1224451E-04 5 0.4546953E-06 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 3 0 0.2668330E-16 1 0.3286705E-01 2 0.2882701E-01 3 0.2716419E-02 4 0.3897408E-04 5 0.1229298E-06 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 4 0 0.1505834E+00 1 0.4999451E+00 2 0.1969041E+00 3 0.8463350E-02 4 0.5509532E-04 5 0.3510459E-06 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 5 0 0.4140205E-16 1 0.1992080E-01 2 0.4539910E-01 3 0.7026537E-02 4 0.1204548E-03 5 0.2589771E-06 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -7 0 0.2831651E-17 1 0.2664592E-13 2 0.4661475E-14 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -6 0 0.2447820E-16 1 0.9932816E-14 2 0.6365314E-15 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 0.1196281E-13 1 0.1618784E-12 2 0.3655360E-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 -4 0 0.1534145E-15 1 0.6973532E-12 2 0.1163630E-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 0.2940549E-18 1 0.5498897E-10 2 0.7048213E-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 -2 0 0.1779230E-08 1 0.1561038E-08 2 0.8587956E-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 -1 0 0.1150664E-16 1 0.7735179E-10 2 0.5517747E-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 0 0 0.1752398E-16 1 0.6031506E-10 2 0.1908709E-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 1 0 0.3598997E-10 1 0.3701102E-08 2 0.5291962E-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 2 0 0.3953631E-17 1 0.4255840E-07 2 0.7621366E-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 0.1794460E-16 1 0.1580041E-07 2 0.9720014E-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 4 0 0.1288304E-05 1 0.6953452E-06 2 0.9427544E-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 5 0 0.9634157E-17 1 0.4097081E-06 2 0.1198594E-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 6 0 0.3047752E-15 1 0.1769203E-06 2 0.9350437E-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 7 0 0.2024298E-08 1 0.4537898E-07 2 0.4930783E-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 sum of the probabilities = 0.9983662 average vibrational energy (ev) = 0.000000 average rotational energy (ev) = 0.212348 average diffraction energy (ev) = 0.013113 the reaction probability = 0.1633815D-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 0.1001862E+01 0.2184366E-01 0.2120363E+00 1 0.0000000E+00 0.0000000E+00 0.0000000E+00 ************************************ diffraction summed probabilities ************************************ v irot j m probability 0 21 1 -1 0.8415408E-05 0 26 1 0 0.3671801E-04 0 31 1 1 0.9623604E-04 0 13 3 -3 0.1899412E-06 0 17 3 -2 0.1241630E-05 0 22 3 -1 0.4251649E-05 0 27 3 0 0.5647113E-04 0 32 3 1 0.2655599E-03 0 36 3 2 0.1568826E-02 0 40 3 3 0.2183518E-02 0 7 5 -5 0.1239810E-08 0 10 5 -4 0.3839025E-08 0 14 5 -3 0.3003166E-07 0 18 5 -2 0.2322308E-06 0 23 5 -1 0.1019116E-05 0 28 5 0 0.2178877E-04 0 33 5 1 0.4246967E-03 0 37 5 2 0.8735255E-02 0 41 5 3 0.1178422E+00 0 44 5 4 0.7141854E+00 0 47 5 5 0.1563782E+00 0 3 7 -7 0.7540428E-12 0 5 7 -6 0.2308866E-11 0 8 7 -5 0.1105581E-10 0 11 7 -4 0.1450958E-09 0 15 7 -3 0.1089106E-08 0 19 7 -2 0.7900104E-08 0 24 7 -1 0.1269820E-07 0 29 7 0 0.8385937E-07 0 34 7 1 0.1956527E-06 0 38 7 2 0.6657264E-06 0 42 7 3 0.9651780E-05 0 45 7 4 0.2692138E-04 0 48 7 5 0.3821250E-05 0 50 7 6 0.8952952E-05 0 52 7 7 0.1140084E-05 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 0.9952085E-15 1 0.1496344E-06 2 0.4136052E-05 3 0.3222126E-05 4 0.5509043E-06 5 0.1474615E-06 6 0.1363887E-06 7 0.4029994E-07 8 0.3254178E-07 9 0.0000000E+00 v, j, mj = 0 1 0 0 0.2475773E-15 1 0.4891987E-05 2 0.2105743E-04 3 0.8813799E-05 4 0.1674296E-05 5 0.1897960E-06 6 0.6655021E-07 7 0.1564077E-07 8 0.8505381E-08 9 0.0000000E+00 v, j, mj = 0 1 1 0 0.3427976E-06 1 0.1728029E-04 2 0.6356508E-04 3 0.9277698E-05 4 0.4415354E-05 5 0.1074512E-05 6 0.1715547E-06 7 0.8692575E-07 8 0.2182571E-07 9 0.0000000E+00 v, j, mj = 0 3 -3 0 0.6347298E-15 1 0.7523631E-07 2 0.1675066E-07 3 0.3174868E-07 4 0.1614289E-07 5 0.6648680E-08 6 0.1300805E-07 7 0.3040590E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 3 -2 0 0.4074306E-06 1 0.7110747E-07 2 0.2453652E-06 3 0.3814192E-06 4 0.7454735E-07 5 0.2429347E-07 6 0.2516366E-07 7 0.1230262E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 3 -1 0 0.1021297E-14 1 0.2747240E-06 2 0.8534629E-06 3 0.2522798E-05 4 0.5235313E-06 5 0.5036034E-07 6 0.2094906E-07 7 0.5822950E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 3 0 0 0.1978782E-14 1 0.7873672E-05 2 0.2886842E-04 3 0.1663607E-04 4 0.2690369E-05 5 0.2420355E-06 6 0.1298191E-06 7 0.3074560E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 3 1 0 0.2040988E-06 1 0.1707337E-04 2 0.1688116E-03 3 0.6061434E-04 4 0.1653831E-04 5 0.2198931E-05 6 0.6885047E-07 7 0.5034794E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 3 2 0 0.6590204E-14 1 0.9719514E-03 2 0.2683474E-03 3 0.2375033E-03 4 0.8366629E-04 5 0.7086017E-05 6 0.2400536E-06 7 0.3118937E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 3 3 0 0.3614980E-15 1 0.8454205E-03 2 0.4052399E-03 3 0.4436203E-03 4 0.4511071E-03 5 0.3770340E-04 6 0.2759380E-06 7 0.1504633E-06 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 -5 0 0.2542883E-11 1 0.1014779E-10 2 0.6459726E-10 3 0.1520231E-10 4 0.7078159E-10 5 0.5902502E-09 6 0.4862881E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 -4 0 0.7836675E-16 1 0.1229218E-09 2 0.6499821E-09 3 0.9491426E-09 4 0.1188054E-08 5 0.5604225E-09 6 0.3685015E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 -3 0 0.8147498E-16 1 0.3820828E-08 2 0.3950147E-08 3 0.1602841E-07 4 0.2398947E-08 5 0.2178337E-08 6 0.1654994E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 -2 0 0.9398328E-08 1 0.1852208E-07 2 0.6382271E-07 3 0.6118809E-07 4 0.6896597E-07 5 0.5472305E-08 6 0.4861330E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 -1 0 0.4872961E-16 1 0.1991545E-06 2 0.3914413E-06 3 0.1834055E-06 4 0.1003252E-06 5 0.1189552E-06 6 0.2583457E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 0 0 0.2853136E-15 1 0.3713705E-05 2 0.1000321E-04 3 0.6895570E-05 4 0.9941414E-06 5 0.1352093E-06 6 0.4692680E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 1 0 0.3091074E-06 1 0.3736196E-04 2 0.2622413E-03 3 0.1173250E-03 4 0.6788662E-05 5 0.5781465E-06 6 0.9249082E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 2 0 0.1242585E-14 1 0.1148457E-02 2 0.5839543E-02 3 0.1656967E-02 4 0.8986070E-04 5 0.3710458E-06 6 0.5665516E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 3 0 0.1228537E-15 1 0.3686974E-01 2 0.6770582E-01 3 0.1284017E-01 4 0.4241493E-03 5 0.2297167E-05 6 0.4042662E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 4 0 0.1388605E+00 1 0.2369084E+00 2 0.3053600E+00 3 0.3250427E-01 4 0.5497396E-03 5 0.2388190E-05 6 0.9060878E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 5 0 0.3156599E-15 1 0.3437855E-02 2 0.1001359E+00 3 0.5004750E-01 4 0.2740464E-02 5 0.1638596E-04 6 0.4342450E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -7 0 0.5418447E-16 1 0.6201203E-13 2 0.4938613E-12 3 0.1981153E-12 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -6 0 0.4562821E-16 1 0.1224127E-12 2 0.1182496E-11 3 0.1003912E-11 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -5 0 0.4442322E-13 1 0.5870308E-11 2 0.3137707E-11 3 0.2003368E-11 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -4 0 0.7801812E-17 1 0.2467075E-10 2 0.9242375E-10 3 0.2800134E-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 -3 0 0.1012895E-16 1 0.9430938E-10 2 0.8786877E-09 3 0.1161085E-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 -2 0 0.1945321E-08 1 0.4786679E-08 2 0.3215698E-09 3 0.8465342E-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 -1 0 0.1026499E-16 1 0.2989875E-09 2 0.4707205E-08 3 0.7692009E-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 0 0 0.9616975E-17 1 0.2156607E-07 2 0.1714615E-07 3 0.4514714E-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 0.1551670E-08 1 0.2265706E-07 2 0.7507210E-07 3 0.9637188E-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 0.1368042E-16 1 0.1468505E-06 2 0.2780474E-06 3 0.2408285E-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 0.2563265E-16 1 0.5880386E-05 2 0.3508307E-05 3 0.2630872E-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 4 0 0.1447702E-04 1 0.7527554E-05 2 0.4517692E-05 3 0.3991132E-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 5 0 0.1871783E-17 1 0.1669830E-05 2 0.1833958E-05 3 0.3174625E-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 6 0 0.1925391E-16 1 0.6904576E-05 2 0.1712103E-05 3 0.3362739E-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 7 0 0.1676111E-08 1 0.1417476E-06 2 0.5070438E-06 3 0.4896170E-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 sum of the probabilities = 1.0018617 average vibrational energy (ev) = 0.000000 average rotational energy (ev) = 0.212036 average diffraction energy (ev) = 0.021844 the reaction probability = -0.1861729D-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 0.9991194E+00 0.3201793E-01 0.2114372E+00 1 0.1245653E-08 0.6551342E-02 0.1447186E-01 ************************************ diffraction summed probabilities ************************************ v irot j m probability 0 21 1 -1 0.2912137E-04 0 26 1 0 0.1070149E-03 0 31 1 1 0.2824666E-03 0 13 3 -3 0.6691945E-06 0 17 3 -2 0.6575533E-05 0 22 3 -1 0.2482842E-04 0 27 3 0 0.2176883E-03 0 32 3 1 0.7915002E-03 0 36 3 2 0.2695258E-02 0 40 3 3 0.4909875E-02 0 7 5 -5 0.2074286E-08 0 10 5 -4 0.1196821E-07 0 14 5 -3 0.7775209E-07 0 18 5 -2 0.3574070E-06 0 23 5 -1 0.5549486E-05 0 28 5 0 0.8641576E-04 0 33 5 1 0.1704774E-02 0 37 5 2 0.2206965E-01 0 41 5 3 0.1791517E+00 0 44 5 4 0.5181556E+00 0 47 5 5 0.2686311E+00 0 3 7 -7 0.9139219E-11 0 5 7 -6 0.7122963E-11 0 8 7 -5 0.4008740E-10 0 11 7 -4 0.8998038E-09 0 15 7 -3 0.4899546E-08 0 19 7 -2 0.1529476E-07 0 24 7 -1 0.3642630E-07 0 29 7 0 0.1308573E-06 0 34 7 1 0.7677983E-06 0 38 7 2 0.8064094E-05 0 42 7 3 0.4633787E-04 0 45 7 4 0.1683372E-03 0 48 7 5 0.1401708E-04 0 50 7 6 0.6558901E-05 0 52 7 7 0.4789240E-05 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 0.1039293E-10 1 26 1 0 0.7408783E-09 1 31 1 1 0.4943822E-09 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 0.1286516E-13 1 0.4714272E-06 2 0.1573229E-04 3 0.1084439E-04 4 0.1640371E-05 5 0.1980187E-06 6 0.1188604E-06 7 0.7841571E-07 8 0.3607932E-07 9 0.1512417E-08 v, j, mj = 0 1 0 0 0.4755958E-15 1 0.1338761E-04 2 0.6912148E-04 3 0.2097786E-04 4 0.2887349E-05 5 0.4884110E-06 6 0.1202890E-06 7 0.2013431E-07 8 0.1075322E-07 9 0.1058595E-08 v, j, mj = 0 1 1 0 0.2692936E-06 1 0.4395450E-04 2 0.1885007E-03 3 0.3273492E-04 4 0.1010930E-04 5 0.5979482E-05 6 0.6722649E-06 7 0.1497903E-06 8 0.9482111E-07 9 0.1562774E-08 v, j, mj = 0 3 -3 0 0.7276424E-14 1 0.2578362E-06 2 0.1468853E-06 3 0.1805396E-06 4 0.3078028E-07 5 0.1108253E-07 6 0.1788672E-07 7 0.1433671E-07 8 0.9847152E-08 9 0.0000000E+00 v, j, mj = 0 3 -2 0 0.1665730E-05 1 0.3130884E-06 2 0.1757925E-05 3 0.2650343E-05 4 0.1364564E-06 5 0.1980540E-07 6 0.1240502E-07 7 0.1351448E-07 8 0.6264481E-08 9 0.0000000E+00 v, j, mj = 0 3 -1 0 0.8842632E-14 1 0.6874664E-06 2 0.7305636E-05 3 0.1472589E-04 4 0.2009145E-05 5 0.6292250E-07 6 0.1657710E-07 7 0.1472656E-07 8 0.6061483E-08 9 0.0000000E+00 v, j, mj = 0 3 0 0 0.2683611E-13 1 0.3179625E-04 2 0.1178921E-03 3 0.5751607E-04 4 0.9915668E-05 5 0.4669611E-06 6 0.5401205E-07 7 0.3867951E-07 8 0.8584510E-08 9 0.0000000E+00 v, j, mj = 0 3 1 0 0.5594238E-06 1 0.7123285E-04 2 0.5176198E-03 3 0.1606484E-03 4 0.3706831E-04 5 0.4106542E-05 6 0.2005684E-06 7 0.5658645E-07 8 0.7705449E-08 9 0.0000000E+00 v, j, mj = 0 3 2 0 0.4403256E-13 1 0.1779112E-02 2 0.3521455E-03 3 0.3520508E-03 4 0.1873055E-03 5 0.2357985E-04 6 0.9884276E-06 7 0.5354812E-07 8 0.2258169E-07 9 0.0000000E+00 v, j, mj = 0 3 3 0 0.7393947E-14 1 0.1376110E-02 2 0.2099623E-02 3 0.1475845E-03 4 0.1036440E-02 5 0.2432356E-03 6 0.6741077E-05 7 0.1267507E-06 8 0.1477627E-07 9 0.0000000E+00 v, j, mj = 0 5 -5 0 0.3323761E-12 1 0.5078146E-10 2 0.4323736E-09 3 0.1426718E-09 4 0.1316879E-09 5 0.5903135E-09 6 0.6092924E-09 7 0.1168329E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 -4 0 0.3970805E-15 1 0.3285898E-08 2 0.1343540E-08 3 0.3437024E-08 4 0.1763432E-08 5 0.7810356E-09 6 0.1198601E-08 7 0.1586748E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 -3 0 0.1139365E-14 1 0.1418742E-07 2 0.7047614E-08 3 0.4552068E-07 4 0.5463918E-08 5 0.4333566E-08 6 0.9452675E-09 7 0.2536270E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 -2 0 0.1266330E-07 1 0.6022689E-08 2 0.6354378E-07 3 0.1515471E-06 4 0.1047543E-06 5 0.8181415E-08 6 0.9394720E-08 7 0.1299729E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 -1 0 0.1660604E-14 1 0.3241574E-06 2 0.2396802E-05 3 0.2204370E-05 4 0.4937802E-06 5 0.1099316E-06 6 0.1956917E-07 7 0.8764675E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 0 0 0.8521651E-14 1 0.3556126E-05 2 0.3731461E-04 3 0.4085728E-04 4 0.4255960E-05 5 0.3390503E-06 6 0.8757898E-07 7 0.5156700E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 1 0 0.3422494E-06 1 0.1413938E-03 2 0.9291482E-03 3 0.5783702E-03 4 0.5398999E-04 5 0.1460532E-05 6 0.6615026E-07 7 0.3153211E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 2 0 0.3748939E-13 1 0.1426302E-02 2 0.1416590E-01 3 0.5988498E-02 4 0.4823547E-03 5 0.6417749E-05 6 0.1777899E-06 7 0.2101859E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 3 0 0.1180832E-14 1 0.3261313E-01 2 0.1116755E+00 3 0.3281081E-01 4 0.2027063E-02 5 0.2501174E-04 6 0.2053643E-06 7 0.1936879E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 4 0 0.1599666E+00 1 0.6328211E-01 2 0.2401117E+00 3 0.5290160E-01 4 0.1874490E-02 5 0.1873600E-04 6 0.3078303E-06 7 0.1287447E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 5 0 0.3216764E-14 1 0.1044551E-01 2 0.8019248E-01 3 0.1524788E+00 4 0.2500252E-01 5 0.5100254E-03 6 0.1813812E-05 7 0.5865069E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -7 0 0.1376595E-15 1 0.1606136E-12 2 0.7762489E-12 3 0.1103712E-11 4 0.7098506E-11 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -6 0 0.1846238E-16 1 0.5751639E-12 2 0.1162598E-11 3 0.1220455E-11 4 0.4164728E-11 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -5 0 0.3684816E-12 1 0.1831819E-11 2 0.3929221E-11 3 0.1602904E-10 4 0.1792884E-10 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 0.1394162E-16 1 0.5432577E-10 2 0.1329581E-09 3 0.4601537E-09 4 0.2523662E-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 -3 0 0.2975818E-16 1 0.9502393E-10 2 0.1067914E-08 3 0.1530469E-08 4 0.2206139E-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 0.1840242E-10 1 0.2409592E-08 2 0.7327586E-08 3 0.1691523E-08 4 0.3847659E-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 -1 0 0.2781113E-17 1 0.2987249E-09 2 0.5814285E-08 3 0.5871355E-08 4 0.2444194E-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 0.3044047E-16 1 0.1501898E-08 2 0.5767154E-07 3 0.2816618E-07 4 0.4351768E-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 0.6989546E-08 1 0.1785162E-06 2 0.2986689E-06 3 0.1055465E-06 4 0.1780771E-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 2 0 0.1468760E-15 1 0.2857592E-05 2 0.3259466E-05 3 0.1686354E-05 4 0.2606818E-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 0.2324995E-16 1 0.2091153E-04 2 0.2203977E-04 3 0.3272986E-05 4 0.1135827E-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 4 0 0.9201602E-04 1 0.6295484E-04 2 0.1198584E-04 3 0.1229150E-05 4 0.1513643E-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 5 0 0.1853618E-16 1 0.8356515E-05 2 0.2519113E-05 3 0.2972859E-05 4 0.1685964E-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 6 0 0.4107103E-17 1 0.4075159E-05 2 0.1533181E-05 3 0.5671262E-06 4 0.3834358E-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 7 0 0.1752556E-06 1 0.1137477E-05 2 0.2325799E-05 3 0.4778619E-06 4 0.6728458E-06 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 0.2244171E-18 1 0.1039293E-10 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 0.6271325E-18 1 0.7408783E-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 0.2551841E-09 1 0.2391980E-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 sum of the probabilities = 0.9991194 average vibrational energy (ev) = 0.000000 average rotational energy (ev) = 0.211437 average diffraction energy (ev) = 0.032018 the reaction probability = 0.8806144D-03 $$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$ total energy = -0.42954189D+01 trans energy = 0.37857143D+00 trans energy in z = 0.37857143D+00 total momentum = 0.10111041D+02 $$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$ ************************************ rotation-diffraction summed probabilities ************************************ v probability av edif av erot 0 0.9988064E+00 0.4141985E-01 0.2105397E+00 1 0.4478097E-07 0.2475735E-01 0.1448002E-01 ************************************ diffraction summed probabilities ************************************ v irot j m probability 0 21 1 -1 0.8799219E-04 0 26 1 0 0.2632906E-03 0 31 1 1 0.7237754E-03 0 13 3 -3 0.3196122E-05 0 17 3 -2 0.3412682E-04 0 22 3 -1 0.1118735E-03 0 27 3 0 0.6712149E-03 0 32 3 1 0.1620079E-02 0 36 3 2 0.4221754E-02 0 40 3 3 0.9075985E-02 0 7 5 -5 0.8224105E-08 0 10 5 -4 0.7824092E-07 0 14 5 -3 0.3210094E-06 0 18 5 -2 0.1981149E-05 0 23 5 -1 0.3591953E-04 0 28 5 0 0.4190206E-03 0 33 5 1 0.5623917E-02 0 37 5 2 0.4748300E-01 0 41 5 3 0.2179821E+00 0 44 5 4 0.3503444E+00 0 47 5 5 0.3591164E+00 0 3 7 -7 0.5121134E-10 0 5 7 -6 0.5416199E-10 0 8 7 -5 0.2190624E-09 0 11 7 -4 0.1745712E-08 0 15 7 -3 0.5440825E-08 0 19 7 -2 0.2714749E-07 0 24 7 -1 0.5459862E-07 0 29 7 0 0.6606362E-06 0 34 7 1 0.7371189E-05 0 38 7 2 0.4994021E-04 0 42 7 3 0.1327614E-03 0 45 7 4 0.6722129E-03 0 48 7 5 0.1097151E-03 0 50 7 6 0.7088039E-05 0 52 7 7 0.6060124E-05 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 0.1091556E-07 1 26 1 0 0.1806902E-07 1 31 1 1 0.1579129E-07 1 13 3 -3 0.6394803E-18 1 17 3 -2 0.3526728E-11 1 22 3 -1 0.4289817E-19 1 27 3 0 0.2250052E-18 1 32 3 1 0.1566172E-11 1 36 3 2 0.1241785E-17 1 40 3 3 0.4091448E-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 0.7201627E-13 1 0.1846933E-05 2 0.5217302E-04 3 0.2651195E-04 4 0.6259884E-05 5 0.7817078E-06 6 0.3174320E-06 7 0.6961778E-07 8 0.2441268E-07 9 0.7224353E-08 v, j, mj = 0 1 0 0 0.5116642E-14 1 0.3775195E-04 2 0.1689842E-03 3 0.4451941E-04 4 0.8504341E-05 5 0.3100239E-05 6 0.3854456E-06 7 0.3279938E-07 8 0.1095778E-07 9 0.1199641E-08 v, j, mj = 0 1 1 0 0.7428045E-06 1 0.9396268E-04 2 0.4481297E-03 3 0.1031327E-03 4 0.3511977E-04 5 0.3438611E-04 6 0.7675311E-05 7 0.5346409E-06 8 0.8526191E-07 9 0.6396460E-08 v, j, mj = 0 3 -3 0 0.3608255E-13 1 0.8811050E-06 2 0.8279582E-06 3 0.1286186E-05 4 0.1233643E-06 5 0.3058058E-07 6 0.1915612E-07 7 0.8617814E-08 8 0.1909635E-07 9 0.5752189E-10 v, j, mj = 0 3 -2 0 0.6450447E-05 1 0.9763030E-06 2 0.1099246E-04 3 0.1525087E-04 4 0.3687777E-06 5 0.5297045E-07 6 0.1541568E-07 7 0.1454319E-07 8 0.4833473E-08 9 0.2067188E-09 v, j, mj = 0 3 -1 0 0.3206860E-13 1 0.3303299E-05 2 0.4620289E-04 3 0.5726158E-04 4 0.4889136E-05 5 0.1659111E-06 6 0.2816778E-07 7 0.1630123E-07 8 0.6012567E-08 9 0.1787652E-09 v, j, mj = 0 3 0 0 0.2271008E-12 1 0.1156502E-03 2 0.4013892E-03 3 0.1350907E-03 4 0.1775361E-04 5 0.1201366E-05 6 0.9441989E-07 7 0.2716039E-07 8 0.8063779E-08 9 0.1491499E-09 v, j, mj = 0 3 1 0 0.9132272E-06 1 0.2196719E-03 2 0.1059995E-02 3 0.2756864E-03 4 0.5825544E-04 5 0.4916516E-05 6 0.5383291E-06 7 0.6727992E-07 8 0.3484325E-07 9 0.8603404E-10 v, j, mj = 0 3 2 0 0.1512337E-12 1 0.2719583E-02 2 0.6745390E-03 3 0.3377449E-03 4 0.4010006E-03 5 0.8388567E-04 6 0.4810997E-05 7 0.1437100E-06 8 0.4551152E-07 9 0.7114750E-10 v, j, mj = 0 3 3 0 0.3003345E-13 1 0.1558337E-02 2 0.4526341E-02 3 0.4080358E-03 4 0.1520468E-02 5 0.9944803E-03 6 0.6778716E-04 7 0.4596906E-06 8 0.7572895E-07 9 0.3808746E-10 v, j, mj = 0 5 -5 0 0.1664468E-10 1 0.5286829E-09 2 0.3505680E-08 3 0.3621621E-09 4 0.1269624E-09 5 0.4614620E-09 6 0.1386448E-08 7 0.1836062E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 -4 0 0.2525769E-14 1 0.4643488E-07 2 0.8794995E-08 3 0.1278103E-07 4 0.5630758E-08 5 0.2306525E-08 6 0.1601847E-08 7 0.6908882E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 -3 0 0.5106372E-14 1 0.1069133E-06 2 0.2186572E-07 3 0.1620845E-06 4 0.1887518E-07 5 0.4348987E-08 6 0.5752583E-08 7 0.1169131E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 -2 0 0.1486833E-08 1 0.3418887E-07 2 0.4684398E-06 3 0.1164604E-05 4 0.2885591E-06 5 0.1400796E-07 6 0.7466201E-08 7 0.2395910E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 -1 0 0.1395155E-13 1 0.1865903E-06 2 0.1597930E-04 3 0.1669028E-04 4 0.2844928E-05 5 0.1674532E-06 6 0.3415080E-07 7 0.1683005E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 0 0 0.1363201E-12 1 0.1392763E-05 2 0.1966939E-03 3 0.1949600E-03 4 0.2463661E-04 5 0.1273637E-05 6 0.5059781E-07 7 0.1315316E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 1 0 0.4153116E-06 1 0.5064136E-03 2 0.2913395E-02 3 0.1963848E-02 4 0.2328264E-03 5 0.6889321E-05 6 0.1098772E-06 7 0.1952055E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 2 0 0.4121999E-12 1 0.3922257E-02 2 0.2775852E-01 3 0.1423260E-01 4 0.1527846E-02 5 0.4131025E-04 6 0.4435766E-06 7 0.2978358E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 3 0 0.9106966E-14 1 0.2031747E-01 2 0.1406588E+00 3 0.5256493E-01 4 0.4315425E-02 5 0.1239584E-03 6 0.1535182E-05 7 0.6265732E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 4 0 0.1588518E+00 1 0.1826528E-01 2 0.1394979E+00 3 0.3058397E-01 4 0.2990400E-02 5 0.1511441E-03 6 0.3746509E-05 7 0.9099037E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 5 0 0.1754347E-13 1 0.2804331E-01 2 0.3445178E-01 3 0.2009946E+00 4 0.9024323E-01 5 0.5342296E-02 6 0.4109254E-04 7 0.9919899E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -7 0 0.3704025E-15 1 0.1653507E-11 2 0.2162121E-11 3 0.4107136E-11 4 0.1112026E-10 5 0.3216795E-10 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -6 0 0.4821708E-16 1 0.8390852E-11 2 0.9482320E-11 3 0.1449775E-10 4 0.1475179E-10 5 0.7039225E-11 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -5 0 0.5985372E-12 1 0.5021675E-11 2 0.2337579E-10 3 0.5752859E-10 4 0.4690408E-10 5 0.8563376E-10 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -4 0 0.1362884E-16 1 0.1284535E-09 2 0.1363799E-09 3 0.6459776E-09 4 0.2680340E-09 5 0.5668666E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -3 0 0.5172133E-16 1 0.3889346E-09 2 0.1191512E-08 3 0.1779681E-08 4 0.8348399E-09 5 0.1245858E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -2 0 0.9041346E-10 1 0.4805890E-08 2 0.4291283E-08 3 0.8234506E-08 4 0.2098996E-08 5 0.7626401E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -1 0 0.3856039E-16 1 0.8178461E-09 2 0.1561268E-07 3 0.2348769E-07 4 0.9872425E-08 5 0.4807979E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 0 0 0.5242987E-15 1 0.2247452E-07 2 0.4047886E-06 3 0.1680204E-06 4 0.3509210E-07 5 0.3026058E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 1 0 0.7886398E-08 1 0.8727974E-06 2 0.4894049E-05 3 0.1401445E-05 4 0.1706894E-06 5 0.2432177E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 2 0 0.2212240E-14 1 0.1048666E-04 2 0.2883043E-04 3 0.9673219E-05 4 0.8903590E-06 5 0.5953508E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 3 0 0.2678656E-16 1 0.4973634E-04 2 0.6680316E-04 3 0.1544878E-04 4 0.7372631E-06 5 0.3589414E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 4 0 0.3088940E-03 1 0.2981719E-03 2 0.6264836E-04 3 0.2333752E-05 4 0.1094710E-06 5 0.5531074E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 5 0 0.6358320E-16 1 0.8542138E-04 2 0.1385487E-04 3 0.9005744E-05 4 0.1388367E-05 5 0.4474725E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 6 0 0.1512817E-14 1 0.5591033E-05 2 0.9699478E-06 3 0.2726172E-06 4 0.1537060E-06 5 0.1007346E-06 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 7 0 0.1558004E-06 1 0.2274019E-05 2 0.1448870E-05 3 0.1175517E-05 4 0.6528287E-06 5 0.3530891E-06 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 1 -1 0 0.1903706E-16 1 0.3441654E-08 2 0.7054816E-08 3 0.4190901E-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 = 1 1 0 0 0.3256139E-17 1 0.2411365E-08 2 0.1533229E-07 3 0.3253617E-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 = 1 1 1 0 0.2418462E-09 1 0.3169628E-08 2 0.1031717E-07 3 0.2062645E-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 = 0.9988064 average vibrational energy (ev) = 0.000000 average rotational energy (ev) = 0.210540 average diffraction energy (ev) = 0.041420 the reaction probability = 0.1193591D-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 0.1000742E+01 0.4862994E-01 0.2093418E+00 1 0.2418912E-06 0.2228932E-01 0.6410509E-01 ************************************ diffraction summed probabilities ************************************ v irot j m probability 0 21 1 -1 0.2295681E-03 0 26 1 0 0.5746325E-03 0 31 1 1 0.1781343E-02 0 13 3 -3 0.1983954E-04 0 17 3 -2 0.1501437E-03 0 22 3 -1 0.3874474E-03 0 27 3 0 0.1652487E-02 0 32 3 1 0.2467073E-02 0 36 3 2 0.6896090E-02 0 40 3 3 0.1419458E-01 0 7 5 -5 0.6587058E-07 0 10 5 -4 0.5787433E-06 0 14 5 -3 0.2406473E-05 0 18 5 -2 0.1726909E-04 0 23 5 -1 0.1895052E-03 0 28 5 0 0.1691035E-02 0 33 5 1 0.1475874E-01 0 37 5 2 0.8176532E-01 0 41 5 3 0.2128934E+00 0 44 5 4 0.2588368E+00 0 47 5 5 0.3991890E+00 0 3 7 -7 0.1746873E-09 0 5 7 -6 0.3162337E-09 0 8 7 -5 0.6524670E-09 0 11 7 -4 0.3380118E-08 0 15 7 -3 0.1153716E-07 0 19 7 -2 0.7222968E-07 0 24 7 -1 0.6335295E-06 0 29 7 0 0.6672497E-05 0 34 7 1 0.5900021E-04 0 38 7 2 0.1824359E-03 0 42 7 3 0.2965127E-03 0 45 7 4 0.1848206E-02 0 48 7 5 0.5895362E-03 0 50 7 6 0.5296564E-04 0 52 7 7 0.7572368E-05 0 1 9 -9 0.1609764E-12 0 2 9 -8 0.4069932E-12 0 4 9 -7 0.1807497E-12 0 6 9 -6 0.7741698E-12 0 9 9 -5 0.3686209E-11 0 12 9 -4 0.5481530E-11 0 16 9 -3 0.3261258E-10 0 20 9 -2 0.2462256E-09 0 25 9 -1 0.5620000E-09 0 30 9 0 0.3682212E-08 0 35 9 1 0.1398789E-07 0 39 9 2 0.4911505E-07 0 43 9 3 0.7763826E-07 0 46 9 4 0.3998536E-06 0 49 9 5 0.7911589E-07 0 51 9 6 0.9159268E-07 0 53 9 7 0.5554044E-07 0 54 9 8 0.4075102E-07 0 55 9 9 0.1055714E-07 1 21 1 -1 0.1781644E-07 1 26 1 0 0.2068046E-07 1 31 1 1 0.3595691E-07 1 13 3 -3 0.2689437E-09 1 17 3 -2 0.6572578E-08 1 22 3 -1 0.2599358E-08 1 27 3 0 0.2146395E-07 1 32 3 1 0.6659788E-08 1 36 3 2 0.3426307E-07 1 40 3 3 0.9560971E-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 0.2495607E-12 1 0.5640566E-05 2 0.1089289E-03 3 0.6354465E-04 4 0.3743967E-04 5 0.1079783E-04 6 0.3035738E-05 7 0.1604628E-06 8 0.1669316E-07 9 0.3554348E-08 v, j, mj = 0 1 0 0 0.7930926E-13 1 0.7919726E-04 2 0.2862583E-03 3 0.1503411E-03 4 0.3796566E-04 5 0.1814148E-04 6 0.2619185E-05 7 0.9363159E-07 8 0.1326571E-07 9 0.2627002E-08 v, j, mj = 0 1 1 0 0.9388088E-06 1 0.1503934E-03 2 0.9084423E-03 3 0.3345456E-03 4 0.1826500E-03 5 0.1329079E-03 6 0.6513819E-04 7 0.6242823E-05 8 0.7339746E-07 9 0.1019022E-07 v, j, mj = 0 3 -3 0 0.1414526E-12 1 0.3420570E-05 2 0.4988682E-05 3 0.9137978E-05 4 0.1906792E-05 5 0.3349847E-06 6 0.2328200E-07 7 0.1141436E-07 8 0.1373958E-07 9 0.2091998E-08 v, j, mj = 0 3 -2 0 0.2859162E-04 1 0.5300543E-05 2 0.5290325E-04 3 0.6161200E-04 4 0.1540143E-05 5 0.1587372E-06 6 0.1889148E-07 7 0.1228545E-07 8 0.5309507E-08 9 0.9041991E-09 v, j, mj = 0 3 -1 0 0.7001585E-13 1 0.1166793E-04 2 0.2198112E-03 3 0.1492761E-03 4 0.5586214E-05 5 0.9065728E-06 6 0.1841915E-06 7 0.9740773E-08 8 0.3387694E-08 9 0.2038511E-08 v, j, mj = 0 3 0 0 0.1030429E-11 1 0.3575274E-03 2 0.1080272E-02 3 0.1920362E-03 4 0.1676527E-04 5 0.4922680E-05 6 0.9171938E-06 7 0.3345315E-07 8 0.8806071E-08 9 0.3427561E-08 v, j, mj = 0 3 1 0 0.1567888E-05 1 0.5226200E-03 2 0.1433553E-02 3 0.4122962E-03 4 0.7705445E-04 5 0.1749285E-04 6 0.2162802E-05 7 0.2684020E-06 8 0.5014618E-07 9 0.7655732E-08 v, j, mj = 0 3 2 0 0.1312376E-12 1 0.3183723E-02 2 0.2033437E-02 3 0.4891032E-03 4 0.7665502E-03 5 0.3906749E-03 6 0.3193862E-04 7 0.5755217E-06 8 0.7560381E-07 9 0.1237380E-07 v, j, mj = 0 3 3 0 0.8091010E-13 1 0.1384232E-02 2 0.6323313E-02 3 0.1130963E-02 4 0.1924858E-02 5 0.2942879E-02 6 0.4793484E-03 7 0.8850136E-05 8 0.1395963E-06 9 0.2842017E-08 v, j, mj = 0 5 -5 0 0.1279976E-09 1 0.1242260E-07 2 0.4049501E-07 3 0.3700809E-08 4 0.2512802E-08 5 0.7313630E-09 6 0.1690018E-08 7 0.1454935E-08 8 0.2735039E-08 9 0.0000000E+00 v, j, mj = 0 5 -4 0 0.4579635E-14 1 0.4313394E-06 2 0.2035207E-07 3 0.9422076E-07 4 0.2408655E-07 5 0.3061121E-08 6 0.3910491E-08 7 0.1196596E-08 8 0.5762600E-09 9 0.0000000E+00 v, j, mj = 0 5 -3 0 0.1236484E-13 1 0.7496159E-06 2 0.2434082E-06 3 0.1285201E-05 4 0.1142232E-06 5 0.3890708E-08 6 0.6507217E-08 7 0.1903189E-08 8 0.1723387E-08 9 0.0000000E+00 v, j, mj = 0 5 -2 0 0.4427351E-06 1 0.2934015E-06 2 0.5389899E-05 3 0.9936992E-05 4 0.1146724E-05 5 0.4046539E-07 6 0.1377334E-07 7 0.3534476E-08 8 0.1564702E-08 9 0.0000000E+00 v, j, mj = 0 5 -1 0 0.7521417E-13 1 0.4875608E-06 2 0.9123832E-04 3 0.8640297E-04 4 0.1089152E-04 5 0.4269193E-06 6 0.4365091E-07 7 0.1192190E-07 8 0.2345182E-08 9 0.0000000E+00 v, j, mj = 0 5 0 0 0.1270098E-11 1 0.1516378E-04 2 0.9356525E-03 3 0.6561206E-03 4 0.8049157E-04 5 0.3503941E-05 6 0.7489767E-07 7 0.2244455E-07 8 0.5467697E-08 9 0.0000000E+00 v, j, mj = 0 5 1 0 0.1081454E-05 1 0.1630330E-02 2 0.7858517E-02 3 0.4669092E-02 4 0.5762182E-03 5 0.2304023E-04 6 0.4058847E-06 7 0.4927298E-07 8 0.6907087E-08 9 0.0000000E+00 v, j, mj = 0 5 2 0 0.2488231E-11 1 0.1077962E-01 2 0.4518459E-01 3 0.2283206E-01 4 0.2830914E-02 5 0.1354600E-03 6 0.2615837E-05 7 0.5698855E-07 8 0.6662237E-08 9 0.0000000E+00 v, j, mj = 0 5 3 0 0.3015704E-13 1 0.1068045E-01 2 0.1410894E+00 3 0.5594552E-01 4 0.4863831E-02 5 0.3046440E-03 6 0.9433880E-05 7 0.7438471E-07 8 0.6574374E-08 9 0.0000000E+00 v, j, mj = 0 5 4 0 0.1410135E+00 1 0.6549091E-02 2 0.9798387E-01 3 0.5065175E-02 4 0.6995213E-02 5 0.1193712E-02 6 0.3610554E-04 7 0.1279041E-06 8 0.3908247E-08 9 0.0000000E+00 v, j, mj = 0 5 5 0 0.7128800E-13 1 0.4457207E-01 2 0.2962942E-01 3 0.1499485E+00 4 0.1515696E+00 5 0.2297860E-01 6 0.4888889E-03 7 0.1878616E-05 8 0.8337145E-08 9 0.0000000E+00 v, j, mj = 0 7 -7 0 0.1487954E-13 1 0.2027634E-11 2 0.5874336E-11 3 0.3779601E-10 4 0.3007529E-10 5 0.5443763E-10 6 0.4446149E-10 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -6 0 0.6693388E-15 1 0.4521846E-10 2 0.3255914E-10 3 0.4500308E-10 4 0.8016142E-10 5 0.4635673E-10 6 0.6693419E-10 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -5 0 0.7002837E-11 1 0.8968504E-11 2 0.1781292E-09 3 0.1541319E-09 4 0.1413499E-09 5 0.7447134E-10 6 0.8841332E-10 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -4 0 0.4598691E-15 1 0.5766374E-09 2 0.5196380E-09 3 0.1087108E-08 4 0.8638956E-09 5 0.1774599E-09 6 0.1553792E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -3 0 0.6368593E-15 1 0.8557723E-09 2 0.8679143E-09 3 0.5264903E-08 4 0.1931161E-08 5 0.2345255E-08 6 0.2721510E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -2 0 0.1580296E-08 1 0.4312215E-08 2 0.1015752E-07 3 0.3610101E-07 4 0.1118438E-07 5 0.7875328E-08 6 0.1018946E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -1 0 0.6140241E-15 1 0.9685847E-08 2 0.2258858E-06 3 0.3224598E-06 4 0.3556038E-07 5 0.3655882E-07 6 0.3378866E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 0 0 0.8794322E-14 1 0.7893754E-07 2 0.3588645E-05 3 0.2577253E-05 4 0.3104130E-06 5 0.1072508E-06 6 0.9997339E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 1 0 0.6849588E-08 1 0.5735264E-05 2 0.3751930E-04 3 0.1422376E-04 4 0.1256429E-05 5 0.2526423E-06 6 0.5961032E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 2 0 0.2599260E-13 1 0.2667239E-04 2 0.1157517E-03 3 0.3781921E-04 4 0.2136270E-05 5 0.4842333E-07 6 0.7854895E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 3 0 0.7033802E-15 1 0.1591553E-03 2 0.1053942E-03 3 0.3021565E-04 4 0.1663995E-05 5 0.4232822E-07 6 0.4120482E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 4 0 0.7398410E-03 1 0.9170091E-03 2 0.1695733E-03 3 0.1912246E-04 4 0.2359365E-05 5 0.2585705E-06 6 0.4267921E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 5 0 0.2248675E-14 1 0.3623173E-03 2 0.2060270E-03 3 0.1244096E-04 4 0.8583964E-05 5 0.1562533E-06 6 0.1070227E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 6 0 0.5659274E-13 1 0.4657923E-04 2 0.2696434E-05 3 0.2801508E-05 4 0.4199868E-06 5 0.4065732E-06 6 0.6191268E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 7 0 0.6372315E-08 1 0.3079606E-05 2 0.1218869E-05 3 0.9399176E-06 4 0.1773415E-05 5 0.4988885E-06 6 0.5530000E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -9 0 0.4110783E-17 1 0.1380835E-12 2 0.2288882E-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 9 -8 0 0.5247286E-13 1 0.1447043E-13 2 0.3400499E-12 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -7 0 0.7101051E-16 1 0.6085948E-13 2 0.1198192E-12 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -6 0 0.7967379E-18 1 0.5925871E-12 2 0.1815819E-12 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -5 0 0.9529168E-12 1 0.1874349E-11 2 0.8589431E-12 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -4 0 0.1516808E-16 1 0.1737083E-11 2 0.3744432E-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 -3 0 0.1128653E-17 1 0.1700432E-10 2 0.1560826E-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 -2 0 0.8481413E-10 1 0.8180553E-10 2 0.7960592E-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 -1 0 0.2706759E-16 1 0.9918055E-10 2 0.4628194E-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 0 0 0.6221051E-18 1 0.1525995E-08 2 0.2156217E-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 0.1166818E-08 1 0.1013637E-07 2 0.2684702E-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 2 0 0.2508489E-16 1 0.2505281E-07 2 0.2406224E-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 0.7336545E-17 1 0.7069760E-07 2 0.6940665E-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 4 0 0.2905895E-06 1 0.3684762E-07 2 0.7241641E-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 5 0 0.9013811E-17 1 0.6170451E-07 2 0.1741138E-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 6 0 0.1053557E-15 1 0.5085548E-07 2 0.4073720E-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 7 0 0.2375703E-08 1 0.5129046E-07 2 0.1874273E-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 8 0 0.3500432E-16 1 0.2778133E-07 2 0.1296969E-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 9 0 0.6435154E-16 1 0.9203696E-08 2 0.1353439E-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 1 -1 0 0.7360573E-17 1 0.9355523E-09 2 0.4437101E-08 3 0.1071535E-07 4 0.1728436E-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 0.1943360E-16 1 0.2179127E-08 2 0.1108989E-07 3 0.6038946E-08 4 0.1372504E-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 0.6222023E-09 1 0.1798943E-07 2 0.2733251E-08 3 0.7930133E-08 4 0.6681893E-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 0.1447078E-16 1 0.9731901E-10 2 0.1716247E-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 0.5374039E-09 1 0.5313112E-08 2 0.7220627E-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 -1 0 0.1035006E-16 1 0.1126213E-08 2 0.1473145E-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 0 0 0.2834832E-16 1 0.2050007E-07 2 0.9638729E-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 1 0 0.1016328E-08 1 0.2836397E-08 2 0.2807062E-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 0.6856270E-16 1 0.2301469E-07 2 0.1124839E-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 0.6854841E-17 1 0.7950552E-07 2 0.1610418E-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 = 1.0007420 average vibrational energy (ev) = 0.000000 average rotational energy (ev) = 0.209342 average diffraction energy (ev) = 0.048630 the reaction probability = -0.7420380D-03 $$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$ total energy = -0.41811331D+01 trans energy = 0.49285714D+00 trans energy in z = 0.49285714D+00 total momentum = 0.11536724D+02 $$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$ ************************************ rotation-diffraction summed probabilities ************************************ v probability av edif av erot 0 0.1002261E+01 0.5289204E-01 0.2075974E+00 1 0.5417812E-06 0.3521563E-01 0.6797696E-01 ************************************ diffraction summed probabilities ************************************ v irot j m probability 0 21 1 -1 0.6745814E-03 0 26 1 0 0.1177026E-02 0 31 1 1 0.4145406E-02 0 13 3 -3 0.1355494E-03 0 17 3 -2 0.5745083E-03 0 22 3 -1 0.1094000E-02 0 27 3 0 0.3291636E-02 0 32 3 1 0.3334109E-02 0 36 3 2 0.1136595E-01 0 40 3 3 0.2038410E-01 0 7 5 -5 0.7837715E-06 0 10 5 -4 0.5289288E-05 0 14 5 -3 0.1808372E-04 0 18 5 -2 0.1132195E-03 0 23 5 -1 0.7556337E-03 0 28 5 0 0.5133826E-02 0 33 5 1 0.3033058E-01 0 37 5 2 0.1125417E+00 0 41 5 3 0.1795447E+00 0 44 5 4 0.2291975E+00 0 47 5 5 0.3911929E+00 0 3 7 -7 0.3700981E-09 0 5 7 -6 0.6725294E-09 0 8 7 -5 0.4151694E-08 0 11 7 -4 0.2040679E-07 0 15 7 -3 0.4383809E-07 0 19 7 -2 0.5369155E-06 0 24 7 -1 0.6449710E-05 0 29 7 0 0.4882072E-04 0 34 7 1 0.2628985E-03 0 38 7 2 0.4131821E-03 0 42 7 3 0.9078804E-03 0 45 7 4 0.3258445E-02 0 48 7 5 0.2039787E-02 0 50 7 6 0.2824056E-03 0 52 7 7 0.2653307E-04 0 1 9 -9 0.2198711E-11 0 2 9 -8 0.4906474E-11 0 4 9 -7 0.1059725E-10 0 6 9 -6 0.2335858E-10 0 9 9 -5 0.1192549E-09 0 12 9 -4 0.1970234E-09 0 16 9 -3 0.5066011E-09 0 20 9 -2 0.9080189E-09 0 25 9 -1 0.5500824E-08 0 30 9 0 0.1582847E-07 0 35 9 1 0.1100708E-06 0 39 9 2 0.1175192E-06 0 43 9 3 0.5586269E-06 0 46 9 4 0.5622906E-06 0 49 9 5 0.1069473E-05 0 51 9 6 0.2746367E-06 0 53 9 7 0.1780369E-06 0 54 9 8 0.2052663E-06 0 55 9 9 0.3680242E-07 1 21 1 -1 0.2250769E-07 1 26 1 0 0.4294710E-07 1 31 1 1 0.7204952E-07 1 13 3 -3 0.5549153E-09 1 17 3 -2 0.1585440E-07 1 22 3 -1 0.4832666E-08 1 27 3 0 0.3320743E-07 1 32 3 1 0.2080356E-07 1 36 3 2 0.1199673E-06 1 40 3 3 0.2090566E-06 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 0.2993966E-12 1 0.1830992E-04 2 0.1099698E-03 3 0.2018612E-03 4 0.2074657E-03 5 0.9947213E-04 6 0.3384882E-04 7 0.3565376E-05 8 0.8372561E-07 9 0.4674115E-08 v, j, mj = 0 1 0 0 0.6558325E-12 1 0.1200946E-03 2 0.2997155E-03 3 0.4700893E-03 4 0.1673991E-03 5 0.9325100E-04 6 0.2493534E-04 7 0.1512470E-05 8 0.2552270E-07 9 0.2758221E-08 v, j, mj = 0 1 1 0 0.1040256E-05 1 0.2148764E-03 2 0.1119031E-02 3 0.8649029E-03 4 0.8549840E-03 5 0.6583390E-03 6 0.3641285E-03 7 0.6658097E-04 8 0.1498654E-05 9 0.2481694E-07 v, j, mj = 0 3 -3 0 0.6138222E-12 1 0.1529070E-04 2 0.3103333E-04 3 0.5624563E-04 4 0.2324093E-04 5 0.8002154E-05 6 0.1649948E-05 7 0.7334225E-07 8 0.7242684E-08 9 0.6123282E-08 v, j, mj = 0 3 -2 0 0.1197430E-03 1 0.3722434E-04 2 0.1981956E-03 3 0.1984365E-03 4 0.1918934E-04 5 0.1439046E-05 6 0.2482380E-06 7 0.2472842E-07 8 0.5223199E-08 9 0.2318301E-08 v, j, mj = 0 3 -1 0 0.1057969E-12 1 0.2691313E-04 2 0.7573306E-03 3 0.2796038E-03 4 0.2288221E-04 5 0.5194077E-05 6 0.1867067E-05 7 0.2004819E-06 8 0.5113593E-08 9 0.3845604E-08 v, j, mj = 0 3 0 0 0.2360272E-11 1 0.8940027E-03 2 0.2188094E-02 3 0.1454433E-03 4 0.2902263E-04 5 0.2508398E-04 6 0.9353477E-05 7 0.6064410E-06 8 0.2591697E-07 9 0.4282172E-08 v, j, mj = 0 3 1 0 0.2633359E-05 1 0.9113087E-03 2 0.1313649E-02 3 0.8129465E-03 4 0.1774748E-03 5 0.8946855E-04 6 0.2354117E-04 7 0.2928146E-05 8 0.1504163E-06 9 0.8401647E-08 v, j, mj = 0 3 2 0 0.1655015E-12 1 0.2806502E-02 2 0.4579369E-02 3 0.1084856E-02 4 0.1209419E-02 5 0.1433579E-02 6 0.2456769E-03 7 0.6458627E-05 8 0.7396368E-07 9 0.1554704E-07 v, j, mj = 0 3 3 0 0.2849772E-12 1 0.1247993E-02 2 0.5680996E-02 3 0.1243369E-02 4 0.3100725E-02 5 0.6669453E-02 6 0.2322372E-02 7 0.1186358E-03 8 0.5447348E-06 9 0.1464486E-07 v, j, mj = 0 5 -5 0 0.2593807E-08 1 0.1900275E-06 2 0.3385346E-06 3 0.1591255E-06 4 0.7448400E-07 5 0.1339127E-07 6 0.2280381E-08 7 0.1906643E-08 8 0.1427712E-08 9 0.0000000E+00 v, j, mj = 0 5 -4 0 0.1859109E-13 1 0.3457370E-05 2 0.5638894E-06 3 0.1039492E-05 4 0.2027422E-06 5 0.1557668E-07 6 0.6968264E-08 7 0.2251996E-08 8 0.9985203E-09 9 0.0000000E+00 v, j, mj = 0 5 -3 0 0.1916409E-13 1 0.3901263E-05 2 0.3038513E-05 3 0.1042454E-04 4 0.6858133E-06 5 0.1730775E-07 6 0.1300700E-07 7 0.2431711E-08 8 0.8488152E-09 9 0.0000000E+00 v, j, mj = 0 5 -2 0 0.8259851E-05 1 0.2140214E-05 2 0.3885291E-04 3 0.6106353E-04 4 0.2773447E-05 5 0.1034553E-06 6 0.1890556E-07 7 0.5385119E-08 8 0.1847168E-08 9 0.0000000E+00 v, j, mj = 0 5 -1 0 0.3225653E-12 1 0.7528660E-05 2 0.4159243E-03 3 0.3091420E-03 4 0.2223223E-04 5 0.7247219E-06 6 0.5367649E-07 7 0.2086041E-07 8 0.7169982E-08 9 0.0000000E+00 v, j, mj = 0 5 0 0 0.7499744E-11 1 0.1204596E-03 2 0.3399013E-02 3 0.1458095E-02 4 0.1500911E-03 5 0.5955185E-05 6 0.1879956E-06 7 0.1293215E-07 8 0.1103854E-07 9 0.0000000E+00 v, j, mj = 0 5 1 0 0.4389679E-05 1 0.4558744E-02 2 0.1719937E-01 3 0.7641177E-02 4 0.8766893E-03 5 0.4864498E-04 6 0.1488663E-05 7 0.5584435E-07 8 0.1674670E-07 9 0.0000000E+00 v, j, mj = 0 5 2 0 0.1156038E-10 1 0.2266286E-01 2 0.6029535E-01 3 0.2613546E-01 4 0.3151898E-02 5 0.2832759E-03 6 0.1260064E-04 7 0.2133666E-06 8 0.2255193E-07 9 0.0000000E+00 v, j, mj = 0 5 3 0 0.7701673E-13 1 0.6833667E-02 2 0.1294500E+00 3 0.3911062E-01 4 0.3443370E-02 5 0.6492186E-03 6 0.5698372E-04 7 0.8209321E-06 8 0.2282901E-07 9 0.0000000E+00 v, j, mj = 0 5 4 0 0.1161858E+00 1 0.9804968E-03 2 0.8239531E-01 3 0.5093439E-02 4 0.1886981E-01 5 0.5415057E-02 6 0.2551060E-03 7 0.2468695E-05 8 0.3320408E-07 9 0.0000000E+00 v, j, mj = 0 5 5 0 0.2499385E-12 1 0.6449717E-01 2 0.4235155E-01 3 0.9082089E-01 4 0.1428669E+00 5 0.4796623E-01 6 0.2670631E-02 7 0.1957186E-04 8 0.3445522E-07 9 0.0000000E+00 v, j, mj = 0 7 -7 0 0.9320898E-13 1 0.1104080E-10 2 0.2999691E-10 3 0.8124339E-10 4 0.1002027E-09 5 0.8021624E-10 6 0.5060955E-10 7 0.1669530E-10 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -6 0 0.1482823E-14 1 0.1342664E-09 2 0.4882431E-10 3 0.1409884E-09 4 0.1226593E-09 5 0.1040844E-09 6 0.1094094E-09 7 0.1229569E-10 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -5 0 0.1351251E-10 1 0.9662337E-09 2 0.1961918E-08 3 0.2530804E-09 4 0.6469694E-09 5 0.1288266E-09 6 0.1625018E-09 7 0.1865147E-10 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -4 0 0.8098273E-15 1 0.1150258E-07 2 0.2544013E-08 3 0.2734053E-08 4 0.2473361E-08 5 0.7821352E-09 6 0.3145355E-09 7 0.5611447E-10 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -3 0 0.3559587E-14 1 0.8607982E-08 2 0.1060506E-07 3 0.1369177E-07 4 0.6585977E-08 5 0.1462913E-08 6 0.2705421E-08 7 0.1789667E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -2 0 0.8089490E-09 1 0.8833954E-08 2 0.1942554E-06 3 0.2738298E-06 4 0.3813165E-07 5 0.1694725E-07 6 0.3734411E-08 7 0.3741628E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -1 0 0.4912655E-14 1 0.1148085E-06 2 0.2893313E-05 3 0.3124805E-05 4 0.2374649E-06 5 0.5632580E-07 6 0.2226858E-07 7 0.7233245E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 0 0 0.8703058E-13 1 0.4278187E-06 2 0.2820180E-04 3 0.1849787E-04 4 0.1587559E-05 5 0.8299083E-07 6 0.2215684E-07 7 0.5282016E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 1 0 0.1699088E-07 1 0.3224531E-04 2 0.1618917E-03 3 0.6258454E-04 4 0.5871882E-05 5 0.2510864E-06 6 0.3578479E-07 7 0.1178714E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 2 0 0.1341855E-12 1 0.7580746E-04 2 0.2451782E-03 3 0.8605329E-04 4 0.5986581E-05 5 0.1355496E-06 6 0.1718194E-07 7 0.3839763E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 3 0 0.6254454E-14 1 0.7192324E-03 2 0.1509595E-03 3 0.3618549E-04 4 0.1357706E-05 5 0.1013645E-06 6 0.3760938E-07 7 0.6366183E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 4 0 0.1251796E-02 1 0.1810173E-02 2 0.1630661E-03 3 0.2048140E-04 4 0.1162849E-04 5 0.1248400E-05 6 0.4525069E-07 7 0.5831820E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 5 0 0.8770236E-14 1 0.1017542E-02 2 0.8665228E-03 3 0.1352963E-03 4 0.1794922E-04 5 0.2434612E-05 6 0.4090647E-07 7 0.1072184E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 6 0 0.2959262E-12 1 0.1856330E-03 2 0.2302996E-04 3 0.5677971E-04 4 0.1636784E-04 5 0.4467597E-06 6 0.1380891E-06 7 0.1020263E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 7 0 0.7256751E-07 1 0.1152532E-04 2 0.6241322E-05 3 0.5085773E-05 4 0.2555871E-05 5 0.9217778E-06 6 0.1216807E-06 7 0.8762643E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -9 0 0.1759112E-16 1 0.1612251E-12 2 0.3414258E-12 3 0.1696043E-11 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -8 0 0.7523249E-12 1 0.2680004E-12 2 0.1941203E-11 3 0.1944945E-11 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -7 0 0.3311961E-16 1 0.5154989E-11 2 0.3203340E-11 3 0.2238891E-11 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -6 0 0.1517207E-16 1 0.1070239E-10 2 0.2115483E-11 3 0.1054070E-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 -5 0 0.5476583E-12 1 0.7363218E-11 2 0.5505323E-10 3 0.5629078E-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 -4 0 0.7873406E-16 1 0.4713916E-10 2 0.7317596E-10 3 0.7670823E-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 -3 0 0.3311845E-17 1 0.7319260E-10 2 0.3469017E-09 3 0.8650681E-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 -2 0 0.3372642E-11 1 0.1908878E-09 2 0.4118503E-09 3 0.3019082E-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 -1 0 0.9643883E-18 1 0.1014087E-09 2 0.2624621E-08 3 0.2774794E-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 0 0 0.1815025E-16 1 0.1184875E-08 2 0.4665720E-08 3 0.9977879E-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 1 0 0.5133578E-09 1 0.2027722E-08 2 0.5885602E-08 3 0.1016441E-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 0.8070743E-17 1 0.2923405E-08 2 0.6416711E-07 3 0.5042869E-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 3 0 0.1261482E-16 1 0.1750490E-06 2 0.1376741E-06 3 0.2459038E-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 4 0 0.2062968E-06 1 0.1954759E-06 2 0.8414710E-07 3 0.7637081E-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 0.4647374E-16 1 0.4900240E-07 2 0.5025982E-06 3 0.5178723E-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 6 0 0.1137208E-16 1 0.6352684E-07 2 0.6271796E-07 3 0.1483919E-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 7 0 0.9683562E-08 1 0.3517041E-07 2 0.6844401E-07 3 0.6473895E-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 8 0 0.4483479E-16 1 0.4740409E-07 2 0.1260501E-06 3 0.3181217E-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 9 0 0.8848860E-16 1 0.3953819E-08 2 0.1448772E-07 3 0.1836087E-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 0.2182723E-14 1 0.3280606E-08 2 0.1414274E-08 3 0.6734298E-08 4 0.9856747E-08 5 0.1221760E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 1 0 0 0.3762039E-14 1 0.1204367E-07 2 0.8780961E-08 3 0.9664698E-08 4 0.9820683E-08 5 0.2637082E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 1 1 0 0.1006337E-08 1 0.2271718E-07 2 0.1681067E-07 3 0.9074926E-08 4 0.1304248E-07 5 0.9397934E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 -3 0 0.2918007E-17 1 0.1181420E-09 2 0.1605690E-09 3 0.2412020E-09 4 0.3500226E-10 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 0.3868800E-08 1 0.9866357E-08 2 0.1222631E-08 3 0.7551933E-09 4 0.1414182E-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 -1 0 0.1366946E-15 1 0.3614172E-09 2 0.2685533E-08 3 0.1594173E-08 4 0.1915432E-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 0.2869214E-15 1 0.1168675E-07 2 0.1503851E-07 3 0.5602556E-08 4 0.8796123E-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 1 0 0.1064022E-08 1 0.2287904E-08 2 0.2568469E-08 3 0.1417969E-07 4 0.7034817E-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 0.1793602E-16 1 0.4277439E-07 2 0.5925276E-07 3 0.1684253E-07 4 0.1097618E-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 0.2932231E-18 1 0.1204066E-06 2 0.3046562E-07 3 0.5578895E-07 4 0.2395401E-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 = 1.0022618 average vibrational energy (ev) = 0.000000 average rotational energy (ev) = 0.207597 average diffraction energy (ev) = 0.052892 the reaction probability = -0.2261814D-02 etrans(icomin)= 0.151114 etrans(icomax)= 0.548327 etrans= 0.550000 CPU TIMES Total computation 94627.7620 (a) ... Propagating the wavefunction 92662.5185 (b) Setup time 1721.6238 Saving the wave function for rerun 53.4448 Calculating averages 5.3167 Calculating and saving BK-coeffs 13.5557 Asymptotic analysis 5.3954 Saving the flux coefficients 0.0000 Flux analysis 0.0000 ----------------------------------------------------- Sum 94461.8549 (a) ... FFTs along X and Y 4244.4805 Kinetic energy operation along Z 26676.8094 Kinetic energy operation along r 19873.6920 Potential energy multiplication 11123.1156 Legengre transforms 24861.2121 Shifting the wavefunction 2033.6264 Kinetic energy multiplications (xy) 417.0173 Absorbing the wavefunction 486.5665 Projection formalism 16.1823 Operations on specular grid 0.1694 ----------------------------------------------------- Sum 89732.8714 (b) ... Potential initialisation time 0.0000 Potential setup time 1695.4304 FFTs along X 2195.8307 FFTs along Y 2048.6498 Time spent on FGH for asympwf 0.4335 Ending date and time: Wed Jul 24 04:02:13 CEST 2019