Starting date and time: Tue Jul 23 06:50:14 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 065014.755 *** * 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: v0j5mj5-0.15eV-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: 5 * 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: 5 * 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 = 5 ... *** 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 = 0.61035156E-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 = 145 iz = 144 iz = 149 iz = 148 iz = 153 iz = 143 iz = 152 iz = 157 iz = 146 iz = 161 iz = 156 iz = 150 iz = 160 iz = 154 iz = 158 iz = 162 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 = 0.17023754E+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 = 231 ******************************************************************************** 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 = 12467 ******************************************************************************** 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 14.11763266 1.49162939 0.33589128E-01 0.13500000E+04 0.99999907 13.99129298 1.49162495 0.23771115E-01 0.14000000E+04 0.99999903 13.86493476 1.49162292 0.16829997E-01 0.14500000E+04 0.99999900 13.73855642 1.49163094 0.11939064E-01 0.15000000E+04 0.99999896 13.61215617 1.49164242 0.84968574E-02 0.15500000E+04 0.99999893 13.48573201 1.49164365 0.60728862E-02 0.16000000E+04 0.99999889 13.35928164 1.49164429 0.43625335E-02 0.16500000E+04 0.99999886 13.23280247 1.49164888 0.31518903E-02 0.17000000E+04 0.99999882 13.10629152 1.49165254 0.22914434E-02 0.17500000E+04 0.99999879 12.97974549 1.49166147 0.16769315E-02 0.18000000E+04 0.99999875 12.85316071 1.49168141 0.12356803E-02 0.18500000E+04 0.99999872 12.72653317 1.49170605 0.91697979E-03 0.19000000E+04 0.99999869 12.59985856 1.49172242 0.68536656E-03 0.19500000E+04 0.99999865 12.47313227 1.49173828 0.51595990E-03 0.20000000E+04 0.99999862 12.34634948 1.49176142 0.39123459E-03 0.20500000E+04 0.99999858 12.21950514 1.49178413 0.29879131E-03 0.21000000E+04 0.99999855 12.09259406 1.49181342 0.22981267E-03 0.21500000E+04 0.99999851 11.96561089 1.49185263 0.17799587E-03 0.22000000E+04 0.99999848 11.83855015 1.49189614 0.13881038E-03 0.22500000E+04 0.99999844 11.71140628 1.49193104 0.10898057E-03 0.23000000E+04 0.99999841 11.58417362 1.49196363 0.86124846E-04 0.23500000E+04 0.99999837 11.45684639 1.49200405 0.68500173E-04 0.24000000E+04 0.99999834 11.32941878 1.49204380 0.54823718E-04 0.24500000E+04 0.99999831 11.20188485 1.49208822 0.44145497E-04 0.25000000E+04 0.99999827 11.07423864 1.49214149 0.35757816E-04 0.25500000E+04 0.99999824 10.94647416 1.49219690 0.29130384E-04 0.26000000E+04 0.99999820 10.81858541 1.49224298 0.23863554E-04 0.26500000E+04 0.99999817 10.69056644 1.49228547 0.19654191E-04 0.27000000E+04 0.99999813 10.56241143 1.49233549 0.16271986E-04 0.27500000E+04 0.99999810 10.43411478 1.49238575 0.13539790E-04 0.28000000E+04 0.99999806 10.30567117 1.49243852 0.11321332E-04 0.28500000E+04 0.99999803 10.17707575 1.49250047 0.95110504E-05 0.29000000E+04 0.99999799 10.04832427 1.49256248 0.80267342E-05 0.29500000E+04 0.99999796 9.91941325 1.49261627 0.68038096E-05 0.30000000E+04 0.99999793 9.79034024 1.49266570 0.57920951E-05 0.30500000E+04 0.99999789 9.66110401 1.49272370 0.49513048E-05 0.31000000E+04 0.99999786 9.53170487 1.49278452 0.42495930E-05 0.31500000E+04 0.99999782 9.40214498 1.49284721 0.36615283E-05 0.32000000E+04 0.99999779 9.27242867 1.49292119 0.31667269E-05 0.32500000E+04 0.99999775 9.14256285 1.49299700 0.27487832E-05 0.33000000E+04 0.99999772 9.01255737 1.49306856 0.23944227E-05 0.33500000E+04 0.99999768 8.88242548 1.49314049 0.20928469E-05 0.34000000E+04 0.99999765 8.75218431 1.49322799 0.18352421E-05 0.34500000E+04 0.99999761 8.62185525 1.49332820 0.16144107E-05 0.35000000E+04 0.99999758 8.49146450 1.49344049 0.14244730E-05 0.35500000E+04 0.99999754 8.36104352 1.49357727 0.12603700E-05 0.36000000E+04 0.99999751 8.23062944 1.49373395 0.11185795E-05 0.36500000E+04 0.99999747 8.10026559 1.49390766 0.99549755E-06 0.37000000E+04 0.99999744 7.97000184 1.49410975 0.88830660E-06 0.37500000E+04 0.99999740 7.83989501 1.49435902 0.79466158E-06 0.38000000E+04 0.99999736 7.71000920 1.49466200 0.71262587E-06 0.38500000E+04 0.99999732 7.58041602 1.49502207 0.64059184E-06 0.39000000E+04 0.99999727 7.45119487 1.49545856 0.57720195E-06 0.39500000E+04 0.99999722 7.32243300 1.49597834 0.52108838E-06 0.40000000E+04 0.99999715 7.19422565 1.49658426 0.47166861E-06 0.40500000E+04 0.99999706 7.06667594 1.49729857 0.42787197E-06 0.41000000E+04 0.99999692 6.93989484 1.49814606 0.38895468E-06 0.41500000E+04 0.99999672 6.81400093 1.49914331 0.35426788E-06 0.42000000E+04 0.99999640 6.68912011 1.50029727 0.32325712E-06 0.42500000E+04 0.99999593 6.56538521 1.50163000 0.29547361E-06 0.43000000E+04 0.99999520 6.44293556 1.50315215 0.27056933E-06 0.43500000E+04 0.99999412 6.32191641 1.50486341 0.24806651E-06 0.44000000E+04 0.99999253 6.20247838 1.50677829 0.22808879E-06 0.44500000E+04 0.99999023 6.08477677 1.50890880 0.21014628E-06 0.45000000E+04 0.99998696 5.96897093 1.51125360 0.19395167E-06 0.45500000E+04 0.99998242 5.85522352 1.51379546 0.17925660E-06 0.46000000E+04 0.99997621 5.74369985 1.51652043 0.16587739E-06 0.46500000E+04 0.99996788 5.63456729 1.51940371 0.15368634E-06 0.47000000E+04 0.99995690 5.52799463 1.52240114 0.14258176E-06 0.47500000E+04 0.99994268 5.42415160 1.52547468 0.13246609E-06 0.48000000E+04 0.99992458 5.32320830 1.52858590 0.12324648E-06 0.48500000E+04 0.99990191 5.22533456 1.53168255 0.11484408E-06 0.49000000E+04 0.99987399 5.13069933 1.53470553 0.10719194E-06 0.49500000E+04 0.99984016 5.03946977 1.53760110 0.10001569E-06 0.50000000E+04 0.99979982 4.95181034 1.54032210 0.93654108E-07 0.50500000E+04 0.99975250 4.86788169 1.54281697 0.87815303E-07 0.51000000E+04 0.99969784 4.78783939 1.54505291 0.82421612E-07 0.51500000E+04 0.99963572 4.71183243 1.54701759 0.77415543E-07 0.52000000E+04 0.99956619 4.64000148 1.54870656 0.72761740E-07 0.52500000E+04 0.99948961 4.57247705 1.55012733 0.68438189E-07 0.53000000E+04 0.99940652 4.50937753 1.55130151 0.64425912E-07 0.53500000E+04 0.99931777 4.45080752 1.55226106 0.60703546E-07 0.54000000E+04 0.99922438 4.39685651 1.55302944 0.57250081E-07 0.54500000E+04 0.99912759 4.34759840 1.55362279 0.54046863E-07 0.55000000E+04 0.99902873 4.30309166 1.55404391 0.51079459E-07 0.55500000E+04 0.99892926 4.26338064 1.55426473 0.48150505E-07 0.56000000E+04 0.99883063 4.22849756 1.55423130 0.45614803E-07 0.56500000E+04 0.99873425 4.19846504 1.55388562 0.43267796E-07 0.57000000E+04 0.99864143 4.17329842 1.55319174 0.41086989E-07 0.57500000E+04 0.99855334 4.15300722 1.55215530 0.39040845E-07 0.58000000E+04 0.99847094 4.13759506 1.55083793 0.37123253E-07 0.58500000E+04 0.99839496 4.12705809 1.54935294 0.35311089E-07 0.59000000E+04 0.99832590 4.12138242 1.54782628 0.33616117E-07 0.59500000E+04 0.99826401 4.12054158 1.54635340 0.32052106E-07 0.60000000E+04 0.99820930 4.12449519 1.54496522 0.30525874E-07 0.60500000E+04 0.99816159 4.13318942 1.54361390 0.29065635E-07 0.61000000E+04 0.99812052 4.14655946 1.54219242 0.27781381E-07 0.61500000E+04 0.99808560 4.16453300 1.54058764 0.26535991E-07 0.62000000E+04 0.99805625 4.18703359 1.53874586 0.25138162E-07 0.62500000E+04 0.99803184 4.21398251 1.53670607 0.24126387E-07 0.63000000E+04 0.99801173 4.24529854 1.53459014 0.23112748E-07 0.63500000E+04 0.99799527 4.28089612 1.53255169 0.21902325E-07 0.64000000E+04 0.99798188 4.32068292 1.53070296 0.21013360E-07 0.64500000E+04 0.99797102 4.36455831 1.52906037 0.20471922E-07 0.65000000E+04 0.99796223 4.41241345 1.52754118 0.19383652E-07 0.65500000E+04 0.99795511 4.46413327 1.52601547 0.18164900E-07 0.66000000E+04 0.99794932 4.51959937 1.52437986 0.18197457E-07 0.66500000E+04 0.99794460 4.57869268 1.52261430 0.18301532E-07 0.67000000E+04 0.99794073 4.64129492 1.52079196 0.16687469E-07 0.67500000E+04 0.99793753 4.70728860 1.51903410 0.15976943E-07 0.68000000E+04 0.99793487 4.77655592 1.51743994 0.18524669E-07 ==> ZAnalysis on specular channel fixed at Z = 0.16700000E+02 0.68500000E+04 0.99793265 4.84897742 1.51603454 0.20650233E-07 0.69000000E+04 0.99793078 4.92443148 1.51476473 0.19009037E-07 0.69500000E+04 0.99792920 5.00279475 1.51354045 0.21493413E-07 0.70000000E+04 0.99792785 5.08394355 1.51229217 0.33596485E-07 0.70500000E+04 0.99792669 5.16775554 1.51100956 0.46313641E-07 0.71000000E+04 0.99792569 5.25411099 1.50973749 0.54654581E-07 0.71500000E+04 0.99792481 5.34289322 1.50853840 0.76307186E-07 0.72000000E+04 0.99792404 5.43398828 1.50745069 0.12835008E-06 0.72500000E+04 0.99792335 5.52728427 1.50647037 0.19961640E-06 0.73000000E+04 0.99792271 5.62267075 1.50556306 0.27881599E-06 0.73500000E+04 0.99792211 5.72003865 1.50469290 0.40044082E-06 0.74000000E+04 0.99792150 5.81928064 1.50384651 0.62237763E-06 0.74500000E+04 0.99792087 5.92029196 1.50303472 0.96171520E-06 0.75000000E+04 0.99792017 6.02297105 1.50227489 0.14089415E-05 0.75500000E+04 0.99791934 6.12721998 1.50157203 0.20274438E-05 0.76000000E+04 0.99791833 6.23294437 1.50091461 0.29846652E-05 0.76500000E+04 0.99791705 6.34005302 1.50028697 0.44437553E-05 0.77000000E+04 0.99791538 6.44845747 1.49968570 0.64871193E-05 0.77500000E+04 0.99791320 6.55807171 1.49912449 0.92417386E-05 0.78000000E+04 0.99791033 6.66881211 1.49862186 0.13065613E-04 0.78500000E+04 0.99790654 6.78059771 1.49818179 0.18507309E-04 0.79000000E+04 0.99790156 6.89335046 1.49778477 0.26063122E-04 0.79500000E+04 0.99789505 7.00699541 1.49739826 0.36108582E-04 0.80000000E+04 0.99788659 7.12146061 1.49699998 0.49180939E-04 0.80500000E+04 0.99787566 7.23667677 1.49659649 0.66254651E-04 0.81000000E+04 0.99786163 7.35257677 1.49622058 0.88579145E-04 0.81500000E+04 0.99784373 7.46909526 1.49590699 0.11723221E-03 0.82000000E+04 0.99782105 7.58616847 1.49566399 0.15298613E-03 0.82500000E+04 0.99779247 7.70373409 1.49546379 0.19668142E-03 0.83000000E+04 0.99775667 7.82173134 1.49526019 0.24956212E-03 0.83500000E+04 0.99771208 7.94010077 1.49502118 0.31298788E-03 0.84000000E+04 0.99765683 8.05878400 1.49475300 0.38774262E-03 0.84500000E+04 0.99758872 8.17772319 1.49449665 0.47371035E-03 0.85000000E+04 0.99750516 8.29686046 1.49429733 0.57022820E-03 0.85500000E+04 0.99740311 8.41613743 1.49416929 0.67652985E-03 0.86000000E+04 0.99727905 8.53549489 1.49408340 0.79155340E-03 0.86500000E+04 0.99712887 8.65487249 1.49398739 0.91322134E-03 0.87000000E+04 0.99694781 8.77420849 1.49384400 0.10379840E-02 0.87500000E+04 0.99673040 8.89343936 1.49365870 0.11611441E-02 0.88000000E+04 0.99647035 9.01249931 1.49347601 0.12776053E-02 0.88500000E+04 0.99616056 9.13131992 1.49334585 0.13823062E-02 0.89000000E+04 0.99579297 9.24982984 1.49328480 0.14700994E-02 0.89500000E+04 0.99535861 9.36795479 1.49326268 0.15355727E-02 0.90000000E+04 0.99484754 9.48561780 1.49322481 0.15733839E-02 0.90500000E+04 0.99424892 9.60273969 1.49313304 0.15791211E-02 0.91000000E+04 0.99355103 9.71923963 1.49299468 0.15501927E-02 0.91500000E+04 0.99274140 9.83503583 1.49285700 0.14862936E-02 0.92000000E+04 0.99180690 9.95004649 1.49277098 0.13894411E-02 0.92500000E+04 0.99073396 10.06419078 1.49275149 0.12638655E-02 0.93000000E+04 0.98950873 10.17739004 1.49276530 0.11159298E-02 0.93500000E+04 0.98811728 10.28956899 1.49275630 0.95394266E-03 0.94000000E+04 0.98654583 10.40065684 1.49268838 0.78766524E-03 0.94500000E+04 0.98478091 10.51058812 1.49257331 0.62746366E-03 0.95000000E+04 0.98280952 10.61930321 1.49246203 0.48331407E-03 0.95500000E+04 0.98061914 10.72674841 1.49240545 0.36393866E-03 0.96000000E+04 0.97819784 10.83287563 1.49241469 0.27619747E-03 0.96500000E+04 0.97553410 10.93764171 1.49245212 0.22474351E-03 0.97000000E+04 0.97261680 11.04100742 1.49246010 0.21192162E-03 0.97500000E+04 0.96943498 11.14293626 1.49240515 0.23793160E-03 0.98000000E+04 0.96597772 11.24339325 1.49230360 0.30127305E-03 0.98500000E+04 0.96223402 11.34234387 1.49220889 0.39939886E-03 0.99000000E+04 0.95819272 11.43975341 1.49217000 0.52940165E-03 0.99500000E+04 0.95384259 11.53558674 1.49219312 0.68860409E-03 0.10000000E+05 0.94917242 11.62980869 1.49223701 0.87498769E-03 0.10050000E+05 0.94417127 11.72238489 1.49224570 0.10874186E-02 0.10100000E+05 0.93882882 11.81328300 1.49219273 0.13256431E-02 0.10150000E+05 0.93313568 11.90247419 1.49210236 0.15900476E-02 0.10200000E+05 0.92708374 11.98993457 1.49203085 0.18812878E-02 0.10250000E+05 0.92066650 12.07564646 1.49202153 0.21999501E-02 0.10300000E+05 0.91387927 12.15959945 1.49206881 0.25463507E-02 0.10350000E+05 0.90671935 12.24179102 1.49212038 0.29205435E-02 0.10400000E+05 0.89918608 12.32222685 1.49211723 0.33225424E-02 0.10450000E+05 0.89128091 12.40092087 1.49204068 0.37526225E-02 0.10500000E+05 0.88300732 12.47789508 1.49193002 0.42115651E-02 0.10550000E+05 0.87437083 12.55317931 1.49185575 0.47007420E-02 0.10600000E+05 0.86537896 12.62681087 1.49186688 0.52220333E-02 0.10650000E+05 0.85604113 12.69883426 1.49195169 0.57776397E-02 0.10700000E+05 0.84636864 12.76930078 1.49204297 0.63698139E-02 0.10750000E+05 0.83637461 12.83826815 1.49206549 0.70005637E-02 0.10800000E+05 0.82607379 12.90579987 1.49199092 0.76714617E-02 0.10850000E+05 0.81548250 12.97196451 1.49185971 0.83835800E-02 0.10900000E+05 0.80461835 13.03683479 1.49175331 0.91374939E-02 0.10950000E+05 0.79350006 13.10048638 1.49173613 0.99332675E-02 0.11000000E+05 0.78214718 13.16299669 1.49180955 0.10770410E-01 0.11050000E+05 0.77057981 13.22444367 1.49191223 0.11647837E-01 0.11100000E+05 0.75881840 13.28490456 1.49196607 0.12563887E-01 0.11150000E+05 0.74688353 13.34445508 1.49193280 0.13516346E-01 0.11200000E+05 0.73479574 13.40316870 1.49183924 0.14502486E-01 0.11250000E+05 0.72257544 13.46111635 1.49175350 0.15518990E-01 0.11300000E+05 0.71024283 13.51836637 1.49173107 0.16561749E-01 0.11350000E+05 0.69781786 13.57498484 1.49177293 0.17625636E-01 0.11400000E+05 0.68532021 13.63103592 1.49182818 0.18704448E-01 0.11450000E+05 0.67276924 13.68658242 1.49183861 0.19791065E-01 0.11500000E+05 0.66018394 13.74168626 1.49178850 0.20877776E-01 0.11550000E+05 0.64758289 13.79640886 1.49171889 0.21956640E-01 0.11600000E+05 0.63498415 13.85081130 1.49169410 0.23019742E-01 0.11650000E+05 0.62240515 13.90495441 1.49174581 0.24059238E-01 0.11700000E+05 0.60986261 13.95889860 1.49184003 0.25067162E-01 0.11750000E+05 0.59737244 14.01270363 1.49189700 0.26035204E-01 0.11800000E+05 0.58494966 14.06642836 1.49185243 0.26954751E-01 0.11850000E+05 0.57260835 14.12013036 1.49171403 0.27817227E-01 0.11900000E+05 0.56036161 14.17386575 1.49156668 0.28614571E-01 0.11950000E+05 0.54822151 14.22768883 1.49151719 0.29339568E-01 0.12000000E+05 0.53619914 14.28165195 1.49161513 0.29985815E-01 0.12050000E+05 0.52430451 14.33580528 1.49180805 0.30547395E-01 0.12100000E+05 0.51254661 14.39019654 1.49196866 0.31018448E-01 0.12150000E+05 0.50093334 14.44487078 1.49197999 0.31393029E-01 0.12200000E+05 0.48947152 14.49987006 1.49181983 0.31665444E-01 0.12250000E+05 0.47816689 14.55523307 1.49158246 0.31830871E-01 0.12300000E+05 0.46702410 14.61099476 1.49141925 0.31885915E-01 0.12350000E+05 0.45604675 14.66718596 1.49143703 0.31828809E-01 0.12400000E+05 0.44523738 14.72383308 1.49162453 0.31659142E-01 0.12450000E+05 0.43459756 14.78095775 1.49185903 0.31377309E-01 0.12500000E+05 0.42412791 14.83857672 1.49198921 0.30984074E-01 0.12550000E+05 0.41382822 14.89670161 1.49193596 0.30480649E-01 0.12600000E+05 0.40369746 14.95533889 1.49174102 0.29869283E-01 0.12650000E+05 0.39373389 15.01448982 1.49153279 0.29153938E-01 0.12700000E+05 0.38393515 15.07415046 1.49143713 0.28340606E-01 0.12750000E+05 0.37429833 15.13431172 1.49149702 0.27437061E-01 0.12800000E+05 0.36482006 15.19495947 1.49165482 0.26452214E-01 0.12850000E+05 0.35549660 15.25607463 1.49180267 0.25395482E-01 0.12900000E+05 0.34632394 15.31763342 1.49185849 0.24276535E-01 0.12950000E+05 0.33729787 15.37960744 1.49181179 0.23105481E-01 0.13000000E+05 0.32841413 15.44196398 1.49171318 0.21893207E-01 0.13050000E+05 0.31966843 15.50466618 1.49162631 0.20651478E-01 0.13100000E+05 0.31105658 15.56767330 1.49158408 0.19392634E-01 0.13150000E+05 0.30257458 15.63094098 1.49158084 0.18129032E-01 0.13200000E+05 0.29421864 15.69442146 1.49159726 0.16872494E-01 0.13250000E+05 0.28598527 15.75806382 1.49162714 0.15634001E-01 0.13300000E+05 0.27787136 15.82181414 1.49167829 0.14423683E-01 0.13350000E+05 0.26987420 15.88561572 1.49174898 0.13250926E-01 0.13400000E+05 0.26199150 15.94940917 1.49180811 0.12124396E-01 0.13450000E+05 0.25422145 16.01313259 1.49180535 0.11051886E-01 0.13500000E+05 0.24656273 16.07672161 1.49171168 0.10040054E-01 0.13550000E+05 0.23901447 16.14010945 1.49155865 0.90942172E-02 0.13600000E+05 0.23157628 16.20322689 1.49143620 0.82182807E-02 0.13650000E+05 0.22424825 16.26600214 1.49143850 0.74147857E-02 0.13700000E+05 0.21703085 16.32836072 1.49159162 0.66850395E-02 0.13750000E+05 0.20992498 16.39022525 1.49181865 0.60292413E-02 0.13800000E+05 0.20293188 16.45151524 1.49197566 0.54465728E-02 0.13850000E+05 0.19605306 16.51214687 1.49194388 0.49352535E-02 0.13900000E+05 0.18929033 16.57203281 1.49171870 0.44925948E-02 0.13950000E+05 0.18264567 16.63108199 1.49142820 0.41150994E-02 0.14000000E+05 0.17612123 16.68919943 1.49125932 0.37986021E-02 0.14050000E+05 0.16971927 16.74628610 1.49133595 0.35384408E-02 0.14100000E+05 0.16344210 16.80223875 1.49162964 0.33296367E-02 0.14150000E+05 0.15729204 16.85694993 1.49196555 0.31670466E-02 0.14200000E+05 0.15127139 16.91030801 1.49212669 0.30454778E-02 0.14250000E+05 0.14538238 16.96219744 1.49199469 0.29597654E-02 0.14300000E+05 0.13962716 17.01249902 1.49163407 0.29048340E-02 0.14350000E+05 0.13400776 17.06109037 1.49126155 0.28757706E-02 0.14400000E+05 0.12852605 17.10784652 1.49111598 0.28679070E-02 0.14450000E+05 0.12318378 17.15264062 1.49130674 0.28769085E-02 0.14500000E+05 0.11798252 17.19534472 1.49173514 0.28988427E-02 0.14550000E+05 0.11292364 17.23583079 1.49214312 0.29302022E-02 0.14600000E+05 0.10800836 17.27397175 1.49226693 0.29678915E-02 0.14650000E+05 0.10323768 17.30964271 1.49200419 0.30091974E-02 0.14700000E+05 0.09861242 17.34272232 1.49149197 0.30517705E-02 0.14750000E+05 0.09413317 17.37309429 1.49104157 0.30936214E-02 0.14800000E+05 0.08980037 17.40064898 1.49095442 0.31331228E-02 0.14850000E+05 0.08561422 17.42528519 1.49132303 0.31690062E-02 0.14900000E+05 0.08157473 17.44691203 1.49194706 0.32003281E-02 0.14950000E+05 0.07768170 17.46545096 1.49243413 0.32264102E-02 0.15000000E+05 0.07393471 17.48083790 1.49243989 0.32467813E-02 0.15050000E+05 0.07033314 17.49302554 1.49190815 0.32611418E-02 0.15100000E+05 0.06687613 17.50198570 1.49114908 0.32693525E-02 0.15150000E+05 0.06356263 17.50771187 1.49066975 0.32714256E-02 0.15200000E+05 0.06039134 17.51022179 1.49083723 0.32675062E-02 0.15250000E+05 0.05736071 17.50956012 1.49159814 0.32578392E-02 0.15300000E+05 0.05446899 17.50580103 1.49246746 0.32427226E-02 0.15350000E+05 0.05171416 17.49905067 1.49282912 0.32224742E-02 0.15400000E+05 0.04909397 17.48944952 1.49237240 0.31974258E-02 0.15450000E+05 0.04660592 17.47717433 1.49135992 0.31679337E-02 0.15500000E+05 0.04424728 17.46243960 1.49049353 0.31343804E-02 0.15550000E+05 0.04201507 17.44549853 1.49042671 0.30971576E-02 0.15600000E+05 0.03990606 17.42664307 1.49126515 0.30566464E-02 0.15650000E+05 0.03791682 17.40620307 1.49244024 0.30132036E-02 0.15700000E+05 0.03604370 17.38454419 1.49308766 0.29671560E-02 0.15750000E+05 0.03428284 17.36206461 1.49268893 0.29188059E-02 0.15800000E+05 0.03263019 17.33919029 1.49149945 0.28684430E-02 0.15850000E+05 0.03108155 17.31636884 1.49039795 0.28163549E-02 0.15900000E+05 0.02963256 17.29406204 1.49023162 0.27628201E-02 0.15950000E+05 0.02827877 17.27273705 1.49115268 0.27080899E-02 0.16000000E+05 0.02701559 17.25285674 1.49247210 0.26523800E-02 0.16050000E+05 0.02583840 17.23486926 1.49317092 0.25958812E-02 0.16100000E+05 0.02474251 17.21919739 1.49269813 0.25387771E-02 0.16150000E+05 0.02372325 17.20622819 1.49142270 0.24812498E-02 0.16200000E+05 0.02277593 17.19630334 1.49035080 0.24234732E-02 0.16250000E+05 0.02189592 17.18971080 1.49032334 0.23656051E-02 0.16300000E+05 0.02107867 17.18667814 1.49134681 0.23077845E-02 0.16350000E+05 0.02031970 17.18736788 1.49259213 0.22501347E-02 0.16400000E+05 0.01961466 17.19187516 1.49306175 0.21927703E-02 0.16450000E+05 0.01895935 17.20022776 1.49239858 0.21358009E-02 0.16500000E+05 0.01834971 17.21238833 1.49117052 0.20793299E-02 0.16550000E+05 0.01778186 17.22825883 1.49038476 0.20234518E-02 0.16600000E+05 0.01725211 17.24768657 1.49065376 0.19682493E-02 0.16650000E+05 0.01675696 17.27047174 1.49171811 0.19137936E-02 0.16700000E+05 0.01629314 17.29637564 1.49268878 0.18601448E-02 0.16750000E+05 0.01585756 17.32512958 1.49278281 0.18073562E-02 0.16800000E+05 0.01544738 17.35644357 1.49195963 0.17554765E-02 0.16850000E+05 0.01505995 17.39001484 1.49093342 0.17045488E-02 0.16900000E+05 0.01469284 17.42553559 1.49055013 0.16546093E-02 0.16950000E+05 0.01434383 17.46269994 1.49108409 0.16056889E-02 0.17000000E+05 0.01401092 17.50120977 1.49205224 0.15578135E-02 0.17050000E+05 0.01369227 17.54077960 1.49264929 0.15110025E-02 0.17100000E+05 0.01338626 17.58114034 1.49240855 0.14652676E-02 0.17150000E+05 0.01309144 17.62204203 1.49156752 0.14206155E-02 0.17200000E+05 0.01280652 17.66325563 1.49084778 0.13770489E-02 0.17250000E+05 0.01253036 17.70457402 1.49083084 0.13345679E-02 0.17300000E+05 0.01226197 17.74581230 1.49148379 0.12931720E-02 0.17350000E+05 0.01200050 17.78680748 1.49223333 0.12528598E-02 0.17400000E+05 0.01174522 17.82741775 1.49246888 0.12136266E-02 0.17450000E+05 0.01149547 17.86752141 1.49202983 0.11754603E-02 0.17500000E+05 0.01125075 17.90701556 1.49131173 0.11383421E-02 0.17550000E+05 0.01101059 17.94581461 1.49092108 0.11022510E-02 0.17600000E+05 0.01077464 17.98384874 1.49115786 0.10671696E-02 0.17650000E+05 0.01054258 18.02106229 1.49178239 0.10330872E-02 0.17700000E+05 0.01031417 18.05741223 1.49225781 0.99999397E-03 0.17750000E+05 0.01008921 18.09286665 1.49221098 0.96787380E-03 0.17800000E+05 0.00986756 18.12740333 1.49171460 0.93670338E-03 0.17850000E+05 0.00964910 18.16100841 1.49120143 0.90645770E-03 0.17900000E+05 0.00943374 18.19367521 1.49109728 0.87711477E-03 0.17950000E+05 0.00922142 18.22540303 1.49146233 0.84865478E-03 0.18000000E+05 0.00901211 18.25619626 1.49195900 0.82105762E-03 0.18050000E+05 0.00880578 18.28606345 1.49216875 0.79430246E-03 0.18100000E+05 0.00860241 18.31501655 1.49194361 0.76836939E-03 0.18150000E+05 0.00840202 18.34307024 1.49149784 0.74324011E-03 0.18200000E+05 0.00820460 18.37024132 1.49121101 0.71889637E-03 0.18250000E+05 0.00801017 18.39654826 1.49131456 0.69531744E-03 0.18300000E+05 0.00781875 18.42201075 1.49169933 0.67247941E-03 0.18350000E+05 0.00763036 18.44664939 1.49202128 0.65035782E-03 0.18400000E+05 0.00744501 18.47048543 1.49201632 0.62893133E-03 0.18450000E+05 0.00726272 18.49354048 1.49171569 0.60818286E-03 0.18500000E+05 0.00708352 18.51583634 1.49138794 0.58809789E-03 0.18550000E+05 0.00690742 18.53739482 1.49130443 0.56866216E-03 0.18600000E+05 0.00673444 18.55823766 1.49152442 0.54986054E-03 0.18650000E+05 0.00656458 18.57838642 1.49184783 0.53167632E-03 0.18700000E+05 0.00639787 18.59786245 1.49199085 0.51408996E-03 0.18750000E+05 0.00623431 18.61668682 1.49184432 0.49707843E-03 0.18800000E+05 0.00607390 18.63488029 1.49155641 0.48061696E-03 0.18850000E+05 0.00591665 18.65246325 1.49137750 0.46468418E-03 0.18900000E+05 0.00576254 18.66945568 1.49144625 0.44926764E-03 0.18950000E+05 0.00561159 18.68587714 1.49169294 0.43436393E-03 0.19000000E+05 0.00546378 18.70174677 1.49190188 0.41997103E-03 0.19050000E+05 0.00531909 18.71708328 1.49189320 0.40607796E-03 0.19100000E+05 0.00517752 18.73190490 1.49168859 0.39266052E-03 0.19150000E+05 0.00503904 18.74622940 1.49148308 0.37968751E-03 0.19200000E+05 0.00490364 18.76007402 1.49145150 0.36713295E-03 0.19250000E+05 0.00477129 18.77345548 1.49160143 0.35498420E-03 0.19300000E+05 0.00464196 18.78638997 1.49179339 0.34323958E-03 0.19350000E+05 0.00451563 18.79889313 1.49186521 0.33189795E-03 0.19400000E+05 0.00439226 18.81098007 1.49176104 0.32094977E-03 0.19450000E+05 0.00427182 18.82266535 1.49158481 0.31037682E-03 0.19500000E+05 0.00415428 18.83396298 1.49150326 0.30015965E-03 0.19550000E+05 0.00403959 18.84488636 1.49158017 0.29028473E-03 0.19600000E+05 0.00392772 18.85544833 1.49172710 0.28074514E-03 0.19650000E+05 0.00381862 18.86566115 1.49180850 0.27153502E-03 0.19700000E+05 0.00371225 18.87553655 1.49176433 0.26264328E-03 0.19750000E+05 0.00360857 18.88508578 1.49164377 0.25405199E-03 0.19800000E+05 0.00350753 18.89431961 1.49156142 0.24574038E-03 0.19850000E+05 0.00340908 18.90324832 1.49159627 0.23769178E-03 0.19900000E+05 0.00331319 18.91188173 1.49170938 0.22989934E-03 0.19950000E+05 0.00321979 18.92022915 1.49178450 0.22236688E-03 0.20000000E+05 0.00312885 18.92829945 1.49175288 0.21510335E-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 -0.015929 0.40071 2 0.1554312 -0.018807 -0.16672 3 0.1597487 -0.009984 -0.71617 4 0.1640662 0.003027 -1.26426 5 0.1683837 0.011236 -1.82536 6 0.1727013 0.010052 -2.40164 7 0.1770188 0.001917 -2.97659 8 0.1813363 -0.006106 2.75582 9 0.1856539 -0.007929 2.23656 10 0.1899714 -0.002952 1.73654 11 0.1942889 0.003985 1.23729 12 0.1986065 0.006943 0.73176 13 0.2029240 0.003832 0.23428 14 0.2072415 -0.002148 -0.23253 15 0.2115591 -0.005594 -0.66138 16 0.2158766 -0.003679 -1.06371 17 0.2201941 0.001537 -1.45566 18 0.2245117 0.005154 -1.84396 19 0.2288292 0.003901 -2.22118 20 0.2331467 -0.000920 -2.57541 21 0.2374643 -0.004643 -2.90425 22 0.2417818 -0.003631 3.06627 23 0.2460993 0.001118 2.75806 24 0.2504169 0.004748 2.45053 25 0.2547344 0.003392 2.15074 26 0.2590519 -0.001558 1.86744 27 0.2633695 -0.004620 1.59996 28 0.2676870 -0.002254 1.33831 29 0.2720045 0.002789 1.07336 30 0.2763221 0.004404 0.80674 31 0.2806396 0.000568 0.54891 32 0.2849571 -0.003864 0.30507 33 0.2892746 -0.003190 0.06728 34 0.2935922 0.001589 -0.17688 35 0.2979097 0.003951 -0.42874 36 0.3022272 0.000742 -0.67522 37 0.3065448 -0.003375 -0.90707 38 0.3108623 -0.002542 -1.13340 39 0.3151798 0.001820 -1.37061 40 0.3194974 0.003164 -1.61848 41 0.3238149 -0.000357 -1.85695 42 0.3281324 -0.003182 -2.07649 43 0.3324500 -0.001032 -2.29460 44 0.3367675 0.002470 -2.53091 45 0.3410850 0.001724 -2.77376 46 0.3454026 -0.001855 -2.99433 47 0.3497201 -0.002336 3.08754 48 0.3540376 0.000873 2.87282 49 0.3583552 0.002219 2.63404 50 0.3626727 -0.000482 2.40787 51 0.3669902 -0.002446 2.21611 52 0.3713078 -0.000348 2.02419 53 0.3756253 0.001950 1.79520 54 0.3799428 0.000393 1.56020 55 0.3842604 -0.002069 1.37051 56 0.3885779 -0.000961 1.19915 57 0.3928954 0.001573 0.98288 58 0.3972129 0.000838 0.73739 59 0.4015305 -0.001684 0.54650 60 0.4058480 -0.001213 0.39619 61 0.4101655 0.001275 0.19466 62 0.4144831 0.000971 -0.06356 63 0.4188006 -0.001505 -0.25461 64 0.4231181 -0.001342 -0.37871 65 0.4274357 0.001063 -0.56760 66 0.4317532 0.000904 -0.85545 67 0.4360707 -0.001507 -1.05060 68 0.4403883 -0.001355 -1.14547 69 0.4447058 0.001006 -1.35744 70 0.4490233 0.000757 -1.77545 71 0.4533409 -0.001564 -2.00947 72 0.4576584 -0.001131 -2.14263 73 0.4619759 0.001182 -2.84567 74 0.4662935 0.000578 2.71607 75 0.4706110 -0.001587 2.50877 76 0.4749285 -0.000606 2.00706 77 0.4792461 0.001502 1.53293 78 0.4835636 0.000229 1.43912 79 0.4878811 -0.001586 1.33395 80 0.4921987 0.000183 1.06109 81 0.4965162 0.001738 0.86963 82 0.5008337 -0.000398 0.81728 83 0.5051512 -0.001341 0.72031 84 0.5094688 0.001405 0.52776 85 0.5137863 0.001893 0.40398 86 0.5181038 -0.000906 0.35886 87 0.5224214 -0.000040 0.26462 88 0.5267389 0.003571 0.11257 89 0.5310564 0.002332 0.02482 90 0.5353740 -0.000283 -0.01567 91 0.5396915 0.003459 -0.10776 92 0.5440090 0.007055 -0.23154 93 0.5483266 0.003543 -0.29350 ******************************************************************************** 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 0.1002011E+01 0.1834616E-01 0.2125266E+00 1 0.0000000E+00 0.0000000E+00 0.0000000E+00 ************************************ diffraction summed probabilities ************************************ v irot j m probability 0 21 1 -1 0.8586239E-06 0 26 1 0 0.1024303E-05 0 31 1 1 0.1100600E-04 0 13 3 -3 0.1856424E-07 0 17 3 -2 0.6172502E-07 0 22 3 -1 0.2933987E-06 0 27 3 0 0.7196411E-06 0 32 3 1 0.4182139E-05 0 36 3 2 0.4459162E-04 0 40 3 3 0.2763379E-03 0 7 5 -5 0.6071073E-10 0 10 5 -4 0.1742702E-09 0 14 5 -3 0.2419075E-08 0 18 5 -2 0.1136695E-07 0 23 5 -1 0.1099836E-06 0 28 5 0 0.1893098E-06 0 33 5 1 0.4720870E-05 0 37 5 2 0.7146840E-04 0 41 5 3 0.2597023E-02 0 44 5 4 0.5886476E-01 0 47 5 5 0.9401320E+00 0 3 7 -7 0.4889320E-13 0 5 7 -6 0.6436624E-13 0 8 7 -5 0.3028359E-13 0 11 7 -4 0.1060846E-12 0 15 7 -3 0.1745352E-11 0 19 7 -2 0.1612380E-10 0 24 7 -1 0.4466358E-09 0 29 7 0 0.1471156E-09 0 34 7 1 0.5915414E-09 0 38 7 2 0.4136267E-08 0 42 7 3 0.7451571E-07 0 45 7 4 0.1122616E-06 0 48 7 5 0.9518486E-06 0 50 7 6 0.1367897E-06 0 52 7 7 0.5172309E-06 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 0.1495656E-06 1 0.4483275E-07 2 0.9253286E-07 3 0.7439413E-07 4 0.1771707E-06 5 0.1396406E-06 6 0.1245332E-06 7 0.5561885E-07 8 0.3351301E-09 9 0.0000000E+00 v, j, mj = 0 1 0 0 0.6019070E-16 1 0.2107559E-06 2 0.1963775E-06 3 0.3123716E-06 4 0.1964836E-06 5 0.6150728E-07 6 0.3714219E-07 7 0.9448104E-08 8 0.2171199E-09 9 0.0000000E+00 v, j, mj = 0 1 1 0 0.4373396E-15 1 0.1872061E-05 2 0.2244998E-05 3 0.2111559E-05 4 0.2977452E-05 5 0.7377166E-06 6 0.8983656E-06 7 0.1635650E-06 8 0.2792736E-09 9 0.0000000E+00 v, j, mj = 0 3 -3 0 0.9217397E-16 1 0.1138185E-08 2 0.8846606E-09 3 0.8348613E-09 4 0.2532390E-08 5 0.2651074E-08 6 0.7947627E-08 7 0.2575442E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 3 -2 0 0.4106330E-16 1 0.4790448E-08 2 0.2478343E-07 3 0.1262747E-07 4 0.6056197E-08 5 0.1936053E-08 6 0.8938900E-08 7 0.2592525E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 3 -1 0 0.3583434E-07 1 0.1271779E-07 2 0.7627680E-07 3 0.4129193E-07 4 0.2673247E-07 5 0.2252276E-07 6 0.6520113E-07 7 0.1282145E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 3 0 0 0.3246337E-16 1 0.5696784E-07 2 0.1952884E-06 3 0.1235533E-06 4 0.2258480E-06 5 0.4392785E-07 6 0.5822010E-07 7 0.1583555E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 3 1 0 0.2091340E-15 1 0.6290195E-06 2 0.8225918E-06 3 0.1818723E-05 4 0.4650717E-06 5 0.1801538E-06 6 0.2311608E-06 7 0.3541773E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 3 2 0 0.1402761E-06 1 0.2529211E-05 2 0.2834315E-04 3 0.1047806E-04 4 0.2183704E-05 5 0.7212286E-06 6 0.1500969E-06 7 0.4589090E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 3 3 0 0.4785489E-15 1 0.1816896E-03 2 0.2496817E-04 3 0.5994349E-04 4 0.8485058E-05 5 0.9390480E-06 6 0.2770737E-06 7 0.3544627E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 -5 0 0.6724764E-16 1 0.1517139E-12 2 0.1638722E-11 3 0.8590488E-11 4 0.2497231E-10 5 0.2535743E-10 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 -4 0 0.4944812E-12 1 0.5341664E-12 2 0.5606903E-11 3 0.8535684E-11 4 0.7090732E-10 5 0.8819162E-10 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 -3 0 0.4509459E-16 1 0.5767453E-11 2 0.1313047E-09 3 0.1593537E-09 4 0.1311350E-08 5 0.8112986E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 -2 0 0.1747109E-16 1 0.5855723E-09 2 0.1273114E-08 3 0.3109714E-08 4 0.1419343E-08 5 0.4979207E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 -1 0 0.2162805E-08 1 0.8433464E-08 2 0.9629982E-08 3 0.1689864E-07 4 0.4109312E-07 5 0.3176557E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 0 0 0.1893403E-16 1 0.8148556E-08 2 0.3464586E-07 3 0.2325294E-07 4 0.5060536E-07 5 0.7265704E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 1 0 0.1479992E-16 1 0.9116090E-06 2 0.2020143E-05 3 0.8528163E-06 4 0.5648146E-06 5 0.3714873E-06 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 2 0 0.1589208E-06 1 0.7911893E-05 2 0.4419963E-04 3 0.1840562E-04 4 0.6194493E-06 5 0.1728869E-06 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 3 0 0.3948988E-17 1 0.3654908E-03 2 0.1791423E-02 3 0.4218342E-03 4 0.1799912E-04 5 0.2760300E-06 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 4 0 0.5023253E-16 1 0.1655908E-01 2 0.3601477E-01 3 0.6169345E-02 4 0.1212692E-03 5 0.3042270E-06 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 5 0 0.1534835E+00 1 0.3213930E+00 2 0.4218315E+00 3 0.4284153E-01 4 0.5817344E-03 5 0.7867002E-06 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -7 0 0.3130166E-13 1 0.1696195E-13 2 0.6295890E-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 -6 0 0.1912628E-16 1 0.6240269E-13 2 0.1944429E-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 -5 0 0.2514608E-16 1 0.2394018E-13 2 0.6318264E-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 -4 0 0.2700811E-13 1 0.1734571E-13 2 0.6173079E-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 -3 0 0.1324927E-15 1 0.7198784E-12 2 0.1025341E-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 0.2212255E-17 1 0.1080981E-10 2 0.5313990E-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 -1 0 0.1919271E-09 1 0.2017699E-09 2 0.5293889E-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 0.7933235E-17 1 0.7884288E-10 2 0.6827269E-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 0.1838193E-16 1 0.1847725E-09 2 0.4067688E-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 0.2024723E-10 1 0.1367337E-08 2 0.2748683E-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 0.5643856E-16 1 0.1616141E-07 2 0.5835429E-07 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 4 0 0.1184578E-17 1 0.7980271E-07 2 0.3245890E-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 0.6156076E-06 1 0.3038429E-06 2 0.3239810E-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 0.4781019E-17 1 0.1070599E-06 2 0.2972985E-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 0.1460574E-15 1 0.5121204E-06 2 0.5110495E-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 = 1.0020112 average vibrational energy (ev) = 0.000000 average rotational energy (ev) = 0.212527 average diffraction energy (ev) = 0.018346 the reaction probability = -0.2011224D-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 0.1004118E+01 0.2857783E-01 0.2124896E+00 1 0.0000000E+00 0.0000000E+00 0.0000000E+00 ************************************ diffraction summed probabilities ************************************ v irot j m probability 0 21 1 -1 0.1640798E-05 0 26 1 0 0.2531056E-05 0 31 1 1 0.1827283E-04 0 13 3 -3 0.4285727E-07 0 17 3 -2 0.1354206E-06 0 22 3 -1 0.5991271E-06 0 27 3 0 0.2655449E-05 0 32 3 1 0.1754558E-04 0 36 3 2 0.1314226E-03 0 40 3 3 0.4871190E-03 0 7 5 -5 0.2591625E-09 0 10 5 -4 0.1110571E-08 0 14 5 -3 0.3890665E-08 0 18 5 -2 0.3215928E-07 0 23 5 -1 0.1162314E-06 0 28 5 0 0.5027370E-06 0 33 5 1 0.9312949E-05 0 37 5 2 0.2430882E-03 0 41 5 3 0.6577260E-02 0 44 5 4 0.9472045E-01 0 47 5 5 0.9018795E+00 0 3 7 -7 0.6635719E-12 0 5 7 -6 0.3588650E-12 0 8 7 -5 0.9875231E-12 0 11 7 -4 0.5600833E-11 0 15 7 -3 0.2791463E-10 0 19 7 -2 0.2156349E-09 0 24 7 -1 0.1880858E-08 0 29 7 0 0.7393181E-08 0 34 7 1 0.2766145E-07 0 38 7 2 0.1186435E-06 0 42 7 3 0.4281486E-06 0 45 7 4 0.3376897E-05 0 48 7 5 0.1122090E-04 0 50 7 6 0.3186682E-05 0 52 7 7 0.7423822E-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 0.9377410E-07 1 0.3326088E-06 2 0.3313356E-06 3 0.4061460E-06 4 0.1297267E-06 5 0.1802597E-06 6 0.8956374E-07 7 0.6550571E-07 8 0.1187733E-07 9 0.0000000E+00 v, j, mj = 0 1 0 0 0.5162087E-15 1 0.5860081E-06 2 0.9180576E-06 3 0.6000550E-06 4 0.2524284E-06 5 0.6564914E-07 6 0.8814523E-07 7 0.1536452E-07 8 0.5347594E-08 9 0.0000000E+00 v, j, mj = 0 1 1 0 0.1360678E-13 1 0.4994578E-05 2 0.5945488E-05 3 0.1681240E-05 4 0.3752897E-05 5 0.1001160E-05 6 0.6965156E-06 7 0.1916383E-06 8 0.9312745E-08 9 0.0000000E+00 v, j, mj = 0 3 -3 0 0.1053648E-14 1 0.1547280E-07 2 0.9945313E-09 3 0.2891559E-08 4 0.3074844E-08 5 0.5812386E-08 6 0.1029820E-07 7 0.4312953E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 3 -2 0 0.3136849E-15 1 0.2679010E-07 2 0.2753365E-07 3 0.3290437E-07 4 0.3122695E-08 5 0.7781659E-08 6 0.1115487E-07 7 0.2613327E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 3 -1 0 0.1272707E-06 1 0.3571807E-07 2 0.1062593E-06 3 0.1381843E-06 4 0.8395843E-07 5 0.4082953E-07 6 0.4705233E-07 7 0.1985449E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 3 0 0 0.6862506E-15 1 0.7223485E-07 2 0.9296984E-06 3 0.9145387E-06 4 0.5070813E-06 5 0.7282975E-07 6 0.8071505E-07 7 0.7835063E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 3 1 0 0.7845941E-14 1 0.7233395E-06 2 0.5433473E-05 3 0.9586365E-05 4 0.1343263E-05 5 0.2314663E-06 6 0.1615508E-06 7 0.6612184E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 3 2 0 0.1295597E-06 1 0.1170420E-04 2 0.6510783E-04 3 0.4699796E-04 4 0.6497663E-05 5 0.7245273E-06 6 0.1993929E-06 7 0.6146104E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 3 3 0 0.3792558E-13 1 0.2725716E-03 2 0.8658831E-04 3 0.6271029E-04 4 0.6122234E-04 5 0.3498973E-05 6 0.3638681E-06 7 0.1635873E-06 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 -5 0 0.6464085E-16 1 0.5336673E-11 2 0.5088116E-11 3 0.1091250E-10 4 0.5596247E-10 5 0.7459820E-10 6 0.1072645E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 -4 0 0.2542315E-11 1 0.1593287E-10 2 0.2761016E-10 3 0.1612930E-10 4 0.6984437E-10 5 0.7291182E-09 6 0.2493942E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 -3 0 0.4234405E-16 1 0.1477122E-09 2 0.1826810E-09 3 0.9649611E-09 4 0.1032413E-08 5 0.5488972E-09 6 0.1014001E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 -2 0 0.4152666E-16 1 0.1936319E-09 2 0.1175616E-08 3 0.1024046E-07 4 0.1400637E-08 5 0.1324384E-07 6 0.5905100E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 -1 0 0.3998514E-08 1 0.7427339E-08 2 0.9639201E-08 3 0.3042182E-07 4 0.3933361E-07 5 0.1342218E-07 6 0.1198873E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 0 0 0.1816724E-16 1 0.3001173E-07 2 0.6756040E-07 3 0.9556932E-07 4 0.7804719E-07 5 0.1617214E-06 6 0.6982690E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 1 0 0.3144825E-15 1 0.1312710E-05 2 0.3163271E-05 3 0.4185992E-05 4 0.4792802E-06 5 0.1291744E-06 6 0.4252119E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 2 0 0.2037334E-06 1 0.2218755E-05 2 0.1180850E-03 3 0.1121249E-03 4 0.9805602E-05 5 0.5475997E-06 6 0.1026160E-06 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 3 0 0.1694271E-14 1 0.8053277E-04 2 0.4012400E-02 3 0.2310925E-02 4 0.1721189E-03 5 0.1162626E-05 6 0.1203447E-06 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 4 0 0.3238914E-16 1 0.6417352E-02 2 0.5818119E-01 3 0.2831388E-01 4 0.1796371E-02 5 0.1151415E-04 6 0.1398512E-06 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 5 0 0.2617724E+00 1 0.2742320E-01 2 0.4059716E+00 3 0.1967347E+00 4 0.9916450E-02 5 0.6075822E-04 6 0.4593752E-06 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -7 0 0.2574095E-13 1 0.2415909E-12 2 0.2701006E-12 3 0.1261394E-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 0.1317570E-15 1 0.6402014E-13 2 0.6758767E-13 3 0.2271255E-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 -5 0 0.1723573E-16 1 0.2022181E-12 2 0.5743899E-12 3 0.2108978E-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 -4 0 0.2596785E-13 1 0.1043069E-12 2 0.1753886E-11 3 0.3716672E-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 -3 0 0.1105278E-15 1 0.3667216E-11 2 0.6498142E-11 3 0.1774916E-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 -2 0 0.1459561E-16 1 0.1958753E-10 2 0.8261623E-10 3 0.1134311E-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 0.1837835E-09 1 0.8039183E-09 2 0.2080591E-09 3 0.6850969E-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 0 0 0.1883366E-16 1 0.8172573E-10 2 0.2684286E-08 3 0.4627169E-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 1 0 0.4609403E-17 1 0.2368744E-08 2 0.5654693E-08 3 0.1963801E-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 0.5387300E-09 1 0.3801510E-08 2 0.3732133E-07 3 0.7698193E-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 3 0 0.2586400E-16 1 0.3008812E-07 2 0.2597589E-06 3 0.1383016E-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 0.2116049E-17 1 0.1073794E-05 2 0.2055458E-05 3 0.2476443E-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 0.7011755E-05 1 0.2395979E-05 2 0.1401895E-05 3 0.4112674E-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 0.3164423E-17 1 0.1243303E-05 2 0.1447330E-05 3 0.4960491E-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 0.1604698E-15 1 0.4916794E-05 2 0.1023136E-05 3 0.1483892E-05 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 = 1.0041181 average vibrational energy (ev) = 0.000000 average rotational energy (ev) = 0.212490 average diffraction energy (ev) = 0.028578 the reaction probability = -0.4118062D-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 0.9984111E+00 0.3865617E-01 0.2124064E+00 1 0.2676456E-08 0.6810375E-02 0.1447186E-01 ************************************ diffraction summed probabilities ************************************ v irot j m probability 0 21 1 -1 0.4490046E-05 0 26 1 0 0.7236408E-05 0 31 1 1 0.3200251E-04 0 13 3 -3 0.1235615E-06 0 17 3 -2 0.3803375E-06 0 22 3 -1 0.1756115E-05 0 27 3 0 0.1150003E-04 0 32 3 1 0.6415753E-04 0 36 3 2 0.3332224E-03 0 40 3 3 0.9881969E-03 0 7 5 -5 0.1074702E-08 0 10 5 -4 0.2163456E-08 0 14 5 -3 0.9034566E-08 0 18 5 -2 0.4468240E-07 0 23 5 -1 0.2489020E-06 0 28 5 0 0.1522953E-05 0 33 5 1 0.3688894E-04 0 37 5 2 0.9776738E-03 0 41 5 3 0.1760567E-01 0 44 5 4 0.1500211E+00 0 47 5 5 0.8281992E+00 0 3 7 -7 0.5053579E-11 0 5 7 -6 0.9020989E-11 0 8 7 -5 0.1704839E-10 0 11 7 -4 0.5383797E-10 0 15 7 -3 0.3727263E-09 0 19 7 -2 0.2179487E-08 0 24 7 -1 0.4817814E-08 0 29 7 0 0.2953765E-07 0 34 7 1 0.6772201E-07 0 38 7 2 0.2508317E-06 0 42 7 3 0.3034175E-05 0 45 7 4 0.8523507E-05 0 48 7 5 0.1016372E-03 0 50 7 6 0.3565900E-05 0 52 7 7 0.8501587E-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 0.5386827E-09 1 26 1 0 0.2650706E-10 1 31 1 1 0.2111266E-08 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 0.6332344E-06 1 0.7683695E-06 2 0.1147314E-05 3 0.1293657E-05 4 0.2237651E-06 5 0.3070872E-06 6 0.7839158E-07 7 0.2373054E-07 8 0.1328701E-07 9 0.1209577E-08 v, j, mj = 0 1 0 0 0.1819492E-14 1 0.1893643E-05 2 0.3101467E-05 3 0.1495491E-05 4 0.4313189E-06 5 0.1761327E-06 6 0.9687490E-07 7 0.3479590E-07 8 0.6251195E-08 9 0.4327198E-09 v, j, mj = 0 1 1 0 0.1084304E-12 1 0.1169020E-04 2 0.1059516E-04 3 0.2848009E-05 4 0.4578246E-05 5 0.1584440E-05 6 0.5905543E-06 7 0.7708355E-07 8 0.3798878E-07 9 0.8267969E-09 v, j, mj = 0 3 -3 0 0.5914223E-14 1 0.6712313E-07 2 0.4706240E-08 3 0.1339328E-07 4 0.1007273E-07 5 0.6198121E-08 6 0.6858628E-08 7 0.9327379E-08 8 0.5881970E-08 9 0.0000000E+00 v, j, mj = 0 3 -2 0 0.3760665E-14 1 0.1768232E-06 2 0.4008946E-07 3 0.1112161E-06 4 0.1360009E-07 5 0.6998908E-08 6 0.1079302E-07 7 0.1297176E-07 8 0.7844949E-08 9 0.0000000E+00 v, j, mj = 0 3 -1 0 0.1217438E-06 1 0.2482293E-06 2 0.5019981E-06 3 0.5179797E-06 4 0.2465302E-06 5 0.5123312E-07 6 0.4147581E-07 7 0.1401405E-07 8 0.1291077E-07 9 0.0000000E+00 v, j, mj = 0 3 0 0 0.7662306E-14 1 0.7586368E-07 2 0.5196912E-05 3 0.4550431E-05 4 0.1502703E-05 5 0.7263777E-07 6 0.5098388E-07 7 0.2847210E-07 8 0.2202761E-07 9 0.0000000E+00 v, j, mj = 0 3 1 0 0.1030028E-12 1 0.9590970E-06 2 0.2143180E-04 3 0.3558334E-04 4 0.5649481E-05 5 0.2158277E-06 6 0.2255184E-06 7 0.5079497E-07 8 0.4166466E-07 9 0.0000000E+00 v, j, mj = 0 3 2 0 0.3225305E-07 1 0.4153377E-04 2 0.1069813E-03 3 0.1406927E-03 4 0.4076591E-04 5 0.2783281E-05 6 0.2289888E-06 7 0.1422812E-06 8 0.6181678E-07 9 0.0000000E+00 v, j, mj = 0 3 3 0 0.4147980E-12 1 0.4137575E-03 2 0.2190810E-03 3 0.4826694E-04 4 0.2492723E-03 5 0.5628200E-04 6 0.1240840E-05 7 0.2661432E-06 8 0.3014061E-07 9 0.0000000E+00 v, j, mj = 0 5 -5 0 0.2850722E-14 1 0.4221025E-10 2 0.2395136E-10 3 0.5920373E-10 4 0.1806472E-09 5 0.3107818E-09 6 0.4103416E-09 7 0.4756348E-10 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 -4 0 0.3327687E-12 1 0.1290080E-09 2 0.3721327E-09 3 0.7245971E-10 4 0.1229244E-09 5 0.4063474E-09 6 0.9825330E-09 7 0.7771776E-10 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 -3 0 0.3573640E-15 1 0.7159232E-09 2 0.1365825E-08 3 0.9616429E-09 4 0.1560660E-08 5 0.9037840E-09 6 0.3228809E-08 7 0.2979200E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 -2 0 0.9015986E-15 1 0.4501259E-08 2 0.4439607E-08 3 0.1283293E-07 4 0.4300334E-08 5 0.7057120E-08 6 0.1039434E-07 7 0.1156810E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 -1 0 0.1311850E-07 1 0.6666058E-07 2 0.2095762E-07 3 0.3965938E-07 4 0.4456334E-07 5 0.1797257E-07 6 0.4336774E-07 7 0.2602269E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 0 0 0.9837273E-15 1 0.1184934E-06 2 0.3087914E-06 3 0.6665038E-06 4 0.2814951E-06 5 0.6299610E-07 6 0.8064187E-07 7 0.4031226E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 1 0 0.1198979E-13 1 0.1049102E-05 2 0.9843949E-05 3 0.2148941E-04 4 0.3900936E-05 5 0.3881544E-06 6 0.2128463E-06 7 0.4545674E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 2 0 0.1804452E-06 1 0.9197002E-05 2 0.3512876E-03 3 0.5288705E-03 4 0.8544988E-04 5 0.2458906E-05 6 0.2250185E-06 7 0.4410415E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 3 0 0.3841388E-13 1 0.1614273E-03 2 0.7706453E-02 3 0.8495217E-02 4 0.1217330E-02 5 0.2488416E-04 6 0.3537710E-06 7 0.8119169E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 4 0 0.3020438E-14 1 0.1538347E-03 2 0.6934459E-01 3 0.6982087E-01 4 0.1045445E-01 5 0.2466834E-03 6 0.6567044E-06 7 0.5755366E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 5 0 0.7771409E-01 1 0.3086402E+00 2 0.7536976E-01 3 0.3100414E+00 4 0.5524658E-01 5 0.1184639E-02 6 0.2534085E-05 7 0.5414431E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -7 0 0.3629893E-12 1 0.9442290E-13 2 0.1710329E-12 3 0.3333925E-12 4 0.4091741E-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 0.8376723E-16 1 0.2163983E-12 2 0.2412028E-12 3 0.7929894E-12 4 0.7770314E-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 0.1720805E-16 1 0.3212175E-12 2 0.4743721E-12 3 0.1095921E-11 4 0.1515687E-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 0.1696771E-12 1 0.1134055E-11 2 0.2089153E-11 3 0.1961283E-10 4 0.3083226E-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 -3 0 0.5092029E-16 1 0.1092394E-11 2 0.1440607E-10 3 0.1673392E-09 4 0.1898886E-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 -2 0 0.1413311E-16 1 0.1358089E-10 2 0.8456441E-10 3 0.6197851E-09 4 0.1461557E-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 0.7596917E-11 1 0.2802699E-09 2 0.1012252E-08 3 0.1040106E-08 4 0.2477589E-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 0 0 0.1331702E-16 1 0.6928919E-10 2 0.2567633E-08 3 0.2928320E-08 4 0.2397241E-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 0.3546197E-16 1 0.1666946E-08 2 0.1520965E-07 3 0.2090618E-07 4 0.2993923E-07 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 2 0 0.5895653E-09 1 0.2392694E-07 2 0.6282781E-07 3 0.8174363E-07 4 0.8174375E-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 3 0 0.4879927E-16 1 0.3049884E-06 2 0.1252550E-05 3 0.1208509E-05 4 0.2681269E-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 0.2865829E-16 1 0.1865665E-05 2 0.4714462E-05 3 0.1644177E-05 4 0.2992040E-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 0.2615884E-04 1 0.6921672E-04 2 0.4902657E-05 3 0.1003357E-05 4 0.3556154E-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 0.3540289E-17 1 0.1908685E-05 2 0.9244780E-06 3 0.4420994E-06 4 0.2906368E-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 0.1130466E-15 1 0.1588512E-05 2 0.4285293E-05 3 0.1903853E-05 4 0.7239294E-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 0.4641529E-09 1 0.7452985E-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 0.1052276E-17 1 0.2650706E-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 1 0 0.9515857E-18 1 0.2111266E-08 2 0.0000000E+00 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 sum of the probabilities = 0.9984111 average vibrational energy (ev) = 0.000000 average rotational energy (ev) = 0.212406 average diffraction energy (ev) = 0.038656 the reaction probability = 0.1588935D-02 $$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$ total energy = -0.42954189D+01 trans energy = 0.37857143D+00 trans energy in z = 0.37857143D+00 total momentum = 0.10111041D+02 $$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$ ************************************ rotation-diffraction summed probabilities ************************************ v probability av edif av erot 0 0.9991121E+00 0.4721166E-01 0.2121842E+00 1 0.7563385E-07 0.1456426E-01 0.1448050E-01 ************************************ diffraction summed probabilities ************************************ v irot j m probability 0 21 1 -1 0.1506635E-04 0 26 1 0 0.2110361E-04 0 31 1 1 0.1028802E-03 0 13 3 -3 0.6577291E-06 0 17 3 -2 0.1657375E-05 0 22 3 -1 0.7851412E-05 0 27 3 0 0.4517709E-04 0 32 3 1 0.1955057E-03 0 36 3 2 0.7864894E-03 0 40 3 3 0.2404225E-02 0 7 5 -5 0.3770728E-08 0 10 5 -4 0.5464829E-08 0 14 5 -3 0.2267260E-07 0 18 5 -2 0.1230872E-06 0 23 5 -1 0.9041702E-06 0 28 5 0 0.9867614E-05 0 33 5 1 0.1952181E-03 0 37 5 2 0.3475311E-02 0 41 5 3 0.3841554E-01 0 44 5 4 0.2146967E+00 0 47 5 5 0.7383016E+00 0 3 7 -7 0.2372846E-10 0 5 7 -6 0.3619024E-10 0 8 7 -5 0.5377730E-10 0 11 7 -4 0.1615714E-09 0 15 7 -3 0.7396001E-09 0 19 7 -2 0.2924453E-08 0 24 7 -1 0.1354044E-07 0 29 7 0 0.3238733E-07 0 34 7 1 0.2337352E-06 0 38 7 2 0.2424812E-05 0 42 7 3 0.9205345E-05 0 45 7 4 0.3380010E-04 0 48 7 5 0.3552426E-03 0 50 7 6 0.2557080E-04 0 52 7 7 0.9668942E-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 0.8405223E-08 1 26 1 0 0.3610568E-08 1 31 1 1 0.6360895E-07 1 13 3 -3 0.3027690E-17 1 17 3 -2 0.9158263E-19 1 22 3 -1 0.9082314E-11 1 27 3 0 0.1860853E-18 1 32 3 1 0.5581674E-18 1 36 3 2 0.2340219E-13 1 40 3 3 0.2957672E-17 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 0.2536935E-05 1 0.2328517E-05 2 0.4911602E-05 3 0.3478608E-05 4 0.1426608E-05 5 0.1898472E-06 6 0.1488071E-06 7 0.2643029E-07 8 0.1658532E-07 9 0.2405590E-08 v, j, mj = 0 1 0 0 0.9901614E-14 1 0.4321678E-05 2 0.7910980E-05 3 0.5845936E-05 4 0.2084739E-05 5 0.7870326E-06 6 0.1220881E-06 7 0.2431625E-07 8 0.5678241E-08 9 0.1163662E-08 v, j, mj = 0 1 1 0 0.6920333E-12 1 0.2492226E-04 2 0.1673482E-04 3 0.3319648E-04 4 0.1740759E-04 5 0.8821022E-05 6 0.1587926E-05 7 0.1691627E-06 8 0.3537225E-07 9 0.5597152E-08 v, j, mj = 0 3 -3 0 0.1294940E-13 1 0.4148953E-06 2 0.6684125E-07 3 0.1219814E-06 4 0.1595058E-07 5 0.1916772E-07 6 0.9529648E-08 7 0.6621202E-08 8 0.2721094E-08 9 0.2093135E-10 v, j, mj = 0 3 -2 0 0.2227142E-13 1 0.7767125E-06 2 0.1501208E-06 3 0.6007496E-06 4 0.6737217E-07 5 0.2504106E-07 6 0.2158787E-07 7 0.5794212E-08 8 0.9981419E-08 9 0.1520382E-10 v, j, mj = 0 3 -1 0 0.5509943E-07 1 0.5605500E-06 2 0.3736101E-05 3 0.2980669E-05 4 0.4164697E-06 5 0.5382956E-07 6 0.1688734E-07 7 0.1606403E-07 8 0.1571430E-07 9 0.2668933E-10 v, j, mj = 0 3 0 0 0.6236837E-13 1 0.4587505E-07 2 0.2472527E-04 3 0.1690443E-04 4 0.3050601E-05 5 0.2498956E-06 6 0.1493291E-06 7 0.2054552E-07 8 0.3110809E-07 9 0.3454768E-10 v, j, mj = 0 3 1 0 0.7979715E-12 1 0.6203742E-05 2 0.8105651E-04 3 0.8589851E-04 4 0.2111910E-04 5 0.9340077E-06 6 0.1643543E-06 7 0.6458141E-07 8 0.6485513E-07 9 0.5262233E-10 v, j, mj = 0 3 2 0 0.3868306E-06 1 0.9717077E-04 2 0.1508536E-03 3 0.2789449E-03 4 0.2211864E-03 5 0.3611070E-04 6 0.1590413E-05 7 0.1694312E-06 8 0.7633122E-07 9 0.3207693E-10 v, j, mj = 0 3 3 0 0.3097630E-11 1 0.8145742E-03 2 0.3425435E-03 3 0.1357009E-03 4 0.6626925E-03 5 0.4243437E-03 6 0.2402382E-04 7 0.2969982E-06 8 0.4930250E-07 9 0.2033186E-10 v, j, mj = 0 5 -5 0 0.1692733E-13 1 0.4553856E-09 2 0.5866853E-09 3 0.2791029E-09 4 0.5177452E-09 5 0.4897963E-09 6 0.9252894E-09 7 0.5167065E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 -4 0 0.1664039E-10 1 0.4551748E-09 2 0.1602156E-08 3 0.7270720E-09 4 0.6417355E-09 5 0.1865199E-09 6 0.1299540E-08 7 0.5359903E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 -3 0 0.1231830E-14 1 0.5082714E-08 2 0.6441560E-08 3 0.1958841E-08 4 0.2215168E-08 5 0.1559023E-08 6 0.2935141E-08 7 0.2480152E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 -2 0 0.7268885E-14 1 0.3270182E-07 2 0.2613960E-07 3 0.3488990E-07 4 0.9491682E-08 5 0.3695913E-08 6 0.7961682E-08 7 0.8206633E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 -1 0 0.1649593E-07 1 0.1789280E-06 2 0.1831755E-06 3 0.3290364E-06 4 0.1275383E-06 5 0.2161407E-07 6 0.2507260E-07 7 0.2230946E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 0 0 0.1205949E-13 1 0.3233446E-06 2 0.2408104E-05 3 0.5408244E-05 4 0.1559440E-05 5 0.9679221E-07 6 0.2480488E-07 7 0.4688386E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 1 0 0.1811941E-12 1 0.1491922E-05 2 0.6201205E-04 3 0.1053218E-03 4 0.2460544E-04 5 0.1631350E-05 6 0.1026307E-06 7 0.5289189E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 2 0 0.5249201E-07 1 0.7317432E-04 2 0.1170466E-02 3 0.1783285E-02 4 0.4283791E-03 5 0.1966718E-04 6 0.2245321E-06 7 0.6209009E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 3 0 0.4332280E-12 1 0.6245034E-03 2 0.1223047E-01 3 0.2020297E-01 4 0.5115513E-02 5 0.2398246E-03 6 0.2157583E-05 7 0.1014158E-06 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 4 0 0.2451155E-13 1 0.6542792E-02 2 0.5337739E-01 3 0.1212898E+00 4 0.3175788E-01 5 0.1711239E-02 6 0.1754045E-04 7 0.6116477E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 5 0 0.1469629E-01 1 0.3243535E+00 2 0.7032143E-01 3 0.1981010E+00 4 0.1228388E+00 5 0.7930664E-02 6 0.5971710E-04 7 0.2388408E-06 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -7 0 0.8527388E-12 1 0.9079963E-12 2 0.1951864E-11 3 0.5194238E-11 4 0.3999446E-11 5 0.1082218E-10 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -6 0 0.1051686E-14 1 0.5733652E-13 2 0.2114261E-11 3 0.8096575E-11 4 0.1329249E-10 5 0.1262852E-10 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -5 0 0.2733902E-16 1 0.7703119E-12 2 0.8288041E-12 3 0.4528192E-11 4 0.1491435E-10 5 0.3273562E-10 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -4 0 0.1329300E-13 1 0.5324905E-11 2 0.7968022E-11 3 0.1935225E-10 4 0.5483963E-10 5 0.7407334E-10 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -3 0 0.1004668E-16 1 0.8364236E-11 2 0.7494578E-10 3 0.1930107E-09 4 0.1081665E-09 5 0.3551128E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -2 0 0.1730230E-16 1 0.1165729E-09 2 0.4162753E-09 3 0.4735149E-09 4 0.7820539E-09 5 0.1136036E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -1 0 0.4704485E-10 1 0.6730241E-09 2 0.1181401E-08 3 0.2250359E-08 4 0.3247502E-08 5 0.6141111E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 0 0 0.2081481E-16 1 0.3373728E-09 2 0.4037886E-08 3 0.4800253E-08 4 0.8277368E-08 5 0.1493445E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 1 0 0.5249187E-15 1 0.1448262E-08 2 0.8079273E-07 3 0.6373992E-07 4 0.5261750E-07 5 0.3513679E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 2 0 0.2510959E-09 1 0.7441981E-07 2 0.1032208E-05 3 0.9993127E-06 4 0.2160356E-06 5 0.1025849E-06 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 3 0 0.5370792E-15 1 0.2818592E-06 2 0.4012461E-05 3 0.4265022E-05 4 0.5237162E-06 5 0.1222860E-06 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 4 0 0.1609346E-15 1 0.2645907E-04 2 0.1682395E-05 3 0.4783588E-05 4 0.7930918E-06 5 0.8195073E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 5 0 0.1178261E-04 1 0.2158038E-03 2 0.1226256E-03 3 0.4469395E-05 4 0.5056847E-06 5 0.5552827E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 6 0 0.2226185E-15 1 0.1516590E-04 2 0.8801483E-05 3 0.1204517E-05 4 0.1966402E-06 5 0.2022598E-06 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 7 0 0.6227635E-14 1 0.1600994E-05 2 0.4911187E-05 3 0.1780085E-05 4 0.1160696E-05 5 0.2159808E-06 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 1 -1 0 0.1577034E-09 1 0.6032788E-08 2 0.2071965E-08 3 0.1427668E-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 0.2810555E-17 1 0.1066211E-08 2 0.2351799E-08 3 0.1925581E-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 0.1605544E-16 1 0.4609161E-07 2 0.1671834E-07 3 0.7989975E-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 sum of the probabilities = 0.9991122 average vibrational energy (ev) = 0.000000 average rotational energy (ev) = 0.212184 average diffraction energy (ev) = 0.047212 the reaction probability = 0.8877995D-03 $$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$ total energy = -0.42382760D+01 trans energy = 0.43571429D+00 trans energy in z = 0.43571429D+00 total momentum = 0.10847330D+02 $$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$ ************************************ rotation-diffraction summed probabilities ************************************ v probability av edif av erot 0 0.1001308E+01 0.5266387E-01 0.2115498E+00 1 0.2204697E-06 0.2047725E-01 0.4564126E-01 ************************************ diffraction summed probabilities ************************************ v irot j m probability 0 21 1 -1 0.1016003E-03 0 26 1 0 0.7633559E-04 0 31 1 1 0.4849365E-03 0 13 3 -3 0.7480674E-05 0 17 3 -2 0.6697999E-05 0 22 3 -1 0.4173497E-04 0 27 3 0 0.1482076E-03 0 32 3 1 0.6015463E-03 0 36 3 2 0.2028588E-02 0 40 3 3 0.5797190E-02 0 7 5 -5 0.1401747E-07 0 10 5 -4 0.2433655E-07 0 14 5 -3 0.1573842E-06 0 18 5 -2 0.6264855E-06 0 23 5 -1 0.5424361E-05 0 28 5 0 0.6157582E-04 0 33 5 1 0.8709880E-03 0 37 5 2 0.1021062E-01 0 41 5 3 0.7037819E-01 0 44 5 4 0.2584360E+00 0 47 5 5 0.6509151E+00 0 3 7 -7 0.1035619E-09 0 5 7 -6 0.1208076E-09 0 8 7 -5 0.1626772E-09 0 11 7 -4 0.6251592E-09 0 15 7 -3 0.2375242E-08 0 19 7 -2 0.9743137E-08 0 24 7 -1 0.3989138E-07 0 29 7 0 0.2370041E-06 0 34 7 1 0.2215735E-05 0 38 7 2 0.1395037E-04 0 42 7 3 0.2263858E-04 0 45 7 4 0.2907689E-03 0 48 7 5 0.6867584E-03 0 50 7 6 0.1055307E-03 0 52 7 7 0.1143449E-04 0 1 9 -9 0.9460457E-14 0 2 9 -8 0.1102362E-12 0 4 9 -7 0.5719533E-12 0 6 9 -6 0.6144645E-12 0 9 9 -5 0.5109856E-12 0 12 9 -4 0.1649703E-11 0 16 9 -3 0.4520491E-11 0 20 9 -2 0.5713196E-11 0 25 9 -1 0.5369839E-10 0 30 9 0 0.3449354E-09 0 35 9 1 0.1511870E-08 0 39 9 2 0.6288525E-08 0 43 9 3 0.6596667E-08 0 46 9 4 0.1312300E-06 0 49 9 5 0.4433118E-06 0 51 9 6 0.2254473E-06 0 53 9 7 0.3799528E-07 0 54 9 8 0.4251816E-07 0 55 9 9 0.3670055E-07 1 21 1 -1 0.5454702E-07 1 26 1 0 0.6850764E-08 1 31 1 1 0.6323406E-07 1 13 3 -3 0.2240766E-09 1 17 3 -2 0.9381055E-09 1 22 3 -1 0.1057354E-07 1 27 3 0 0.5294736E-08 1 32 3 1 0.1098819E-07 1 36 3 2 0.2602692E-07 1 40 3 3 0.4179232E-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 0.1256199E-04 1 0.1587890E-04 2 0.3191322E-04 3 0.1926616E-04 4 0.1759651E-04 5 0.3327556E-05 6 0.9677111E-06 7 0.6549033E-07 8 0.1777790E-07 9 0.5027832E-08 v, j, mj = 0 1 0 0 0.3872388E-13 1 0.6002143E-05 2 0.2095336E-04 3 0.2252088E-04 4 0.1848066E-04 5 0.7167306E-05 6 0.1108400E-05 7 0.8480763E-07 8 0.1596043E-07 9 0.2071079E-08 v, j, mj = 0 1 1 0 0.3140546E-11 1 0.5189065E-04 2 0.4270657E-04 3 0.1591339E-03 4 0.1392716E-03 5 0.6508129E-04 6 0.2448058E-04 7 0.2305166E-05 8 0.5483108E-07 9 0.1188977E-07 v, j, mj = 0 3 -3 0 0.1044533E-13 1 0.4007160E-05 2 0.1527209E-05 3 0.1514196E-05 4 0.3142209E-06 5 0.8943317E-07 6 0.2000774E-07 7 0.3827104E-08 8 0.3717764E-08 9 0.9025723E-09 v, j, mj = 0 3 -2 0 0.9719723E-13 1 0.2119870E-05 2 0.9263366E-06 3 0.3113839E-05 4 0.3810006E-06 5 0.9894426E-07 6 0.4210417E-07 7 0.7464760E-08 8 0.5922704E-08 9 0.2516521E-08 v, j, mj = 0 3 -1 0 0.2701498E-05 1 0.2826911E-05 2 0.2153349E-04 3 0.1331648E-04 4 0.9129344E-06 5 0.3202652E-06 6 0.8748934E-07 7 0.1935080E-07 8 0.1443500E-07 9 0.2122171E-08 v, j, mj = 0 3 0 0 0.2962284E-12 1 0.9057240E-06 2 0.9548186E-04 3 0.4241832E-04 4 0.6468335E-05 5 0.2136489E-05 6 0.7127118E-06 7 0.5598315E-07 8 0.2527940E-07 9 0.2904845E-08 v, j, mj = 0 3 1 0 0.4054024E-11 1 0.5831919E-04 2 0.2724111E-03 3 0.1842741E-03 4 0.7340596E-04 5 0.1230972E-04 6 0.6254938E-06 7 0.1359334E-06 8 0.5975361E-07 9 0.5028415E-08 v, j, mj = 0 3 2 0 0.1057877E-05 1 0.1792474E-03 2 0.1549032E-03 3 0.5362054E-03 4 0.8293438E-03 5 0.3070376E-03 6 0.2028724E-04 7 0.4205520E-06 8 0.7796081E-07 9 0.7495971E-08 v, j, mj = 0 3 3 0 0.1717440E-10 1 0.1305319E-02 2 0.6000627E-03 3 0.5446567E-03 4 0.1281711E-02 5 0.1798355E-02 6 0.2623431E-03 7 0.4686947E-05 8 0.4876472E-07 9 0.6839563E-08 v, j, mj = 0 5 -5 0 0.5370261E-13 1 0.3282116E-08 2 0.5664550E-08 3 0.1556398E-08 4 0.5976570E-09 5 0.8496472E-09 6 0.9844961E-09 7 0.4117909E-09 8 0.6707575E-09 9 0.0000000E+00 v, j, mj = 0 5 -4 0 0.1279975E-09 1 0.7263993E-08 2 0.8220993E-08 3 0.2891667E-08 4 0.2385867E-08 5 0.6656005E-09 6 0.8852291E-09 7 0.1441946E-08 8 0.4532579E-09 9 0.0000000E+00 v, j, mj = 0 5 -3 0 0.3452263E-15 1 0.7379522E-07 2 0.3083535E-07 3 0.3530304E-07 4 0.5246267E-08 5 0.3630977E-08 6 0.2934583E-08 7 0.4381138E-08 8 0.1257603E-08 9 0.0000000E+00 v, j, mj = 0 5 -2 0 0.3693538E-13 1 0.8439930E-07 2 0.1650694E-06 3 0.2959154E-06 4 0.5083158E-07 5 0.3665841E-08 6 0.6798235E-08 7 0.1134029E-07 8 0.8465367E-08 9 0.0000000E+00 v, j, mj = 0 5 -1 0 0.1455222E-08 1 0.2954542E-06 2 0.1576608E-05 3 0.2996236E-05 4 0.4842963E-06 5 0.3013704E-07 6 0.2399596E-07 7 0.1159661E-07 8 0.4581105E-08 9 0.0000000E+00 v, j, mj = 0 5 0 0 0.7493752E-13 1 0.1265420E-05 2 0.1928039E-04 3 0.3343903E-04 4 0.7086276E-05 5 0.3626579E-06 6 0.3906316E-07 7 0.8417037E-07 8 0.1881203E-07 9 0.0000000E+00 v, j, mj = 0 5 1 0 0.1531429E-11 1 0.1179112E-04 2 0.3414829E-03 3 0.4110279E-03 4 0.1006520E-03 5 0.5766933E-05 6 0.1636900E-06 7 0.9855314E-07 8 0.4869795E-08 9 0.0000000E+00 v, j, mj = 0 5 2 0 0.1840642E-06 1 0.3297241E-03 2 0.3609933E-02 3 0.4842205E-02 4 0.1332867E-02 5 0.9410405E-04 6 0.1392994E-05 7 0.2023098E-06 8 0.7312967E-08 9 0.0000000E+00 v, j, mj = 0 5 3 0 0.3089406E-11 1 0.1382453E-02 2 0.2061552E-01 3 0.3484346E-01 4 0.1240913E-01 5 0.1107260E-02 6 0.2019158E-04 7 0.1642338E-06 8 0.3482313E-08 9 0.0000000E+00 v, j, mj = 0 5 4 0 0.8142766E-13 1 0.1836598E-01 2 0.3177164E-01 3 0.1402220E+00 4 0.6212810E-01 5 0.5822431E-02 6 0.1254836E-03 7 0.3703387E-06 8 0.2951332E-08 9 0.0000000E+00 v, j, mj = 0 5 5 0 0.2153866E-02 1 0.2879810E+00 2 0.1267826E+00 3 0.7532302E-01 4 0.1350298E+00 5 0.2311983E-01 6 0.5228512E-03 7 0.2221079E-05 8 0.1734246E-08 9 0.0000000E+00 v, j, mj = 0 7 -7 0 0.9596463E-11 1 0.1806594E-11 2 0.6828900E-11 3 0.2581737E-11 4 0.9181342E-11 5 0.1877213E-10 6 0.5479475E-10 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -6 0 0.1419686E-13 1 0.1256624E-11 2 0.1791487E-11 3 0.1055581E-10 4 0.2545957E-10 5 0.4658048E-10 6 0.3514940E-10 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -5 0 0.1949835E-15 1 0.3107961E-11 2 0.1028530E-10 3 0.9361865E-11 4 0.2585482E-10 5 0.3873767E-10 6 0.7532940E-10 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -4 0 0.2701238E-11 1 0.9044097E-11 2 0.3614708E-10 3 0.9059490E-10 4 0.1317720E-09 5 0.1681844E-09 6 0.1867154E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -3 0 0.7257981E-18 1 0.5696728E-10 2 0.2197907E-09 3 0.4137310E-09 4 0.5249896E-09 5 0.6085257E-09 6 0.5512376E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -2 0 0.3353030E-15 1 0.8179709E-09 2 0.8610834E-09 3 0.7764409E-09 4 0.1064359E-08 5 0.4000727E-08 6 0.2222556E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -1 0 0.2844393E-09 1 0.3068484E-08 2 0.2619045E-08 3 0.8985431E-08 4 0.5561355E-08 5 0.1462451E-07 6 0.4748109E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 0 0 0.2725959E-15 1 0.3337221E-08 2 0.5622364E-07 3 0.1001597E-06 4 0.2729032E-07 5 0.4081377E-07 6 0.9179418E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 1 0 0.7224001E-14 1 0.1573939E-07 2 0.8278558E-06 3 0.9638037E-06 4 0.3020375E-06 5 0.9458866E-07 6 0.1170976E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 2 0 0.1840662E-08 1 0.3445335E-06 2 0.6175554E-05 3 0.6402414E-05 4 0.8813255E-06 5 0.1158369E-06 6 0.2886313E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 3 0 0.1306033E-13 1 0.1111363E-05 2 0.2738340E-05 3 0.1502215E-04 4 0.3369484E-05 5 0.3386309E-06 6 0.5861589E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 4 0 0.1279006E-14 1 0.1703771E-03 2 0.1008445E-03 3 0.1362941E-04 4 0.5485821E-05 5 0.3787180E-06 6 0.5328463E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 5 0 0.5067758E-04 1 0.2652720E-03 2 0.3197166E-03 3 0.4536120E-04 4 0.4801281E-05 5 0.9057440E-06 6 0.2404397E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 6 0 0.8992005E-14 1 0.2195688E-04 2 0.6215264E-04 3 0.1829797E-04 4 0.2670996E-05 5 0.3504622E-06 6 0.1017334E-06 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 7 0 0.2485115E-12 1 0.3225911E-05 2 0.3004659E-05 3 0.3697099E-05 4 0.1220496E-05 5 0.2087770E-06 6 0.7754926E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -9 0 0.6216520E-15 1 0.3077186E-14 2 0.5761619E-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 9 -8 0 0.8323908E-18 1 0.1640404E-13 2 0.9383133E-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 -7 0 0.2693199E-14 1 0.4191977E-12 2 0.1500623E-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 0.1596738E-15 1 0.5394580E-12 2 0.7484681E-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 -5 0 0.2031497E-16 1 0.3722589E-12 2 0.1387063E-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 0.2425189E-12 1 0.4132148E-12 2 0.9939690E-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 -3 0 0.4127589E-16 1 0.1283103E-11 2 0.3237346E-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 -2 0 0.1651121E-16 1 0.2500416E-12 2 0.5463138E-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 -1 0 0.1577749E-10 1 0.8633968E-11 2 0.2928694E-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 0 0 0.2580707E-17 1 0.5707650E-10 2 0.2878589E-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 1 0 0.2437264E-16 1 0.2985441E-09 2 0.1213326E-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 0.8229417E-09 1 0.3817716E-08 2 0.1647868E-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 3 0 0.9228750E-17 1 0.4195414E-08 2 0.2401252E-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 0.4506231E-16 1 0.8493890E-07 2 0.4629108E-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 0.2731263E-06 1 0.1400644E-06 2 0.3012106E-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 0.1304764E-16 1 0.1374057E-06 2 0.8804156E-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 0.6559913E-16 1 0.2011419E-07 2 0.1788109E-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 8 0 0.5283563E-09 1 0.2929860E-07 2 0.1269120E-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 0.2205041E-15 1 0.3294158E-07 2 0.3758968E-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 0.2483672E-08 1 0.2343292E-07 2 0.2119302E-07 3 0.6372186E-08 4 0.1065227E-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 0.1738524E-16 1 0.1896051E-08 2 0.2128120E-08 3 0.1918006E-08 4 0.9085878E-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 1 1 0 0.7932327E-16 1 0.3527033E-07 2 0.2038506E-07 3 0.4860731E-08 4 0.2717941E-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 0.9955068E-16 1 0.7978645E-11 2 0.2160979E-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 0.7708958E-17 1 0.1671421E-09 2 0.7709633E-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 0.1339062E-08 1 0.7664370E-08 2 0.1570110E-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 0.8414006E-17 1 0.1475472E-08 2 0.3819264E-08 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 1 0 0.5444664E-17 1 0.4082425E-08 2 0.6905770E-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 0.2852026E-08 1 0.1793606E-07 2 0.5238838E-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 3 0 0.1996524E-15 1 0.2235033E-07 2 0.1944199E-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 = 1.0013077 average vibrational energy (ev) = 0.000000 average rotational energy (ev) = 0.211550 average diffraction energy (ev) = 0.052664 the reaction probability = -0.1307745D-02 $$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$ total energy = -0.41811331D+01 trans energy = 0.49285714D+00 trans energy in z = 0.49285714D+00 total momentum = 0.11536724D+02 $$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$ ************************************ rotation-diffraction summed probabilities ************************************ v probability av edif av erot 0 0.9995799E+00 0.5386047E-01 0.2096356E+00 1 0.3718162E-06 0.3401274E-01 0.4666260E-01 ************************************ diffraction summed probabilities ************************************ v irot j m probability 0 21 1 -1 0.7453452E-03 0 26 1 0 0.3986632E-03 0 31 1 1 0.2046512E-02 0 13 3 -3 0.2022429E-03 0 17 3 -2 0.2896008E-04 0 22 3 -1 0.1624560E-03 0 27 3 0 0.4501617E-03 0 32 3 1 0.1695429E-02 0 36 3 2 0.5762287E-02 0 40 3 3 0.1348372E-01 0 7 5 -5 0.9657945E-06 0 10 5 -4 0.2995793E-06 0 14 5 -3 0.2683954E-05 0 18 5 -2 0.3757818E-05 0 23 5 -1 0.2939997E-04 0 28 5 0 0.2863686E-03 0 33 5 1 0.2849514E-02 0 37 5 2 0.2263581E-01 0 41 5 3 0.1050534E+00 0 44 5 4 0.2594301E+00 0 47 5 5 0.5817566E+00 0 3 7 -7 0.4199053E-09 0 5 7 -6 0.3798165E-09 0 8 7 -5 0.7286142E-09 0 11 7 -4 0.1583562E-08 0 15 7 -3 0.4295674E-08 0 19 7 -2 0.2038669E-07 0 24 7 -1 0.1659634E-06 0 29 7 0 0.1988820E-05 0 34 7 1 0.1481130E-04 0 38 7 2 0.4605946E-04 0 42 7 3 0.8904226E-04 0 45 7 4 0.1088828E-02 0 48 7 5 0.8442931E-03 0 50 7 6 0.4164032E-03 0 52 7 7 0.5092757E-04 0 1 9 -9 0.6138812E-12 0 2 9 -8 0.2451880E-11 0 4 9 -7 0.1899757E-10 0 6 9 -6 0.2900131E-10 0 9 9 -5 0.3492738E-10 0 12 9 -4 0.2750087E-10 0 16 9 -3 0.7685303E-10 0 20 9 -2 0.2409083E-09 0 25 9 -1 0.6948053E-09 0 30 9 0 0.2888269E-08 0 35 9 1 0.1120187E-07 0 39 9 2 0.1954218E-07 0 43 9 3 0.1864331E-06 0 46 9 4 0.2589849E-06 0 49 9 5 0.5652782E-06 0 51 9 6 0.3403705E-06 0 53 9 7 0.9207876E-06 0 54 9 8 0.2010015E-06 0 55 9 9 0.1964037E-06 1 21 1 -1 0.6647267E-07 1 26 1 0 0.1747808E-07 1 31 1 1 0.1209414E-06 1 13 3 -3 0.5315011E-09 1 17 3 -2 0.4846628E-08 1 22 3 -1 0.1398543E-07 1 27 3 0 0.2770751E-08 1 32 3 1 0.1548784E-07 1 36 3 2 0.1555957E-07 1 40 3 3 0.1137424E-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 0.5057798E-04 1 0.7156676E-04 2 0.1757002E-03 3 0.1530842E-03 4 0.1765669E-03 5 0.8854327E-04 6 0.2710346E-04 7 0.2171488E-05 8 0.2602759E-07 9 0.4958537E-08 v, j, mj = 0 1 0 0 0.1026370E-12 1 0.1260054E-04 2 0.6919910E-04 3 0.1143359E-03 4 0.1240751E-03 5 0.6242348E-04 6 0.1506586E-04 7 0.9183215E-06 8 0.4163920E-07 9 0.3312757E-08 v, j, mj = 0 1 1 0 0.7694593E-11 1 0.9644841E-04 2 0.1395404E-03 3 0.4455773E-03 4 0.6814293E-03 5 0.4493972E-03 6 0.1998892E-03 7 0.3343360E-04 8 0.7740780E-06 9 0.2264388E-07 v, j, mj = 0 3 -3 0 0.3331042E-13 1 0.6472450E-04 2 0.5387191E-04 3 0.4864587E-04 4 0.2444434E-04 5 0.8906377E-05 6 0.1598164E-05 7 0.4594359E-07 8 0.4475145E-08 9 0.1327005E-08 v, j, mj = 0 3 -2 0 0.3906602E-12 1 0.6986060E-05 2 0.5454089E-05 3 0.1277703E-04 4 0.3063240E-05 5 0.4125822E-06 6 0.2429893E-06 7 0.1765029E-07 8 0.4107401E-08 9 0.2328301E-08 v, j, mj = 0 3 -1 0 0.1653883E-04 1 0.1234493E-04 2 0.7082562E-04 3 0.4380783E-04 4 0.1315383E-04 5 0.4171685E-05 6 0.1405107E-05 7 0.1940562E-06 8 0.1153038E-07 9 0.2589214E-08 v, j, mj = 0 3 0 0 0.1117000E-11 1 0.1025761E-04 2 0.3105336E-03 3 0.7566928E-04 4 0.2727029E-04 5 0.1953139E-04 6 0.6362779E-05 7 0.4987390E-06 8 0.3209503E-07 9 0.5858072E-08 v, j, mj = 0 3 1 0 0.1321101E-10 1 0.2959253E-03 2 0.6779477E-03 3 0.4218184E-03 4 0.2291979E-03 5 0.6163097E-04 6 0.7463616E-05 7 0.1353163E-05 8 0.8426823E-07 9 0.8099583E-08 v, j, mj = 0 3 2 0 0.1481936E-05 1 0.2505186E-03 2 0.4054788E-03 3 0.1134464E-02 4 0.2336781E-02 5 0.1441626E-02 6 0.1870083E-03 7 0.4851982E-05 8 0.6594181E-07 9 0.1035571E-07 v, j, mj = 0 3 3 0 0.7732444E-10 1 0.2001595E-02 2 0.1168998E-02 3 0.1024810E-02 4 0.2773087E-02 5 0.4908766E-02 6 0.1533572E-02 7 0.7256545E-04 8 0.3166515E-06 9 0.7171428E-08 v, j, mj = 0 5 -5 0 0.8890258E-13 1 0.3891336E-06 2 0.3273578E-06 3 0.1772237E-06 4 0.5870836E-07 5 0.9996744E-08 6 0.1851938E-08 7 0.8660668E-09 8 0.6561843E-09 9 0.0000000E+00 v, j, mj = 0 5 -4 0 0.2593731E-08 1 0.5960604E-07 2 0.4317284E-07 3 0.7915746E-07 4 0.7533871E-07 5 0.3390895E-07 6 0.2368198E-08 7 0.2101791E-08 8 0.1331593E-08 9 0.0000000E+00 v, j, mj = 0 5 -3 0 0.2705460E-13 1 0.1506820E-05 2 0.4616021E-06 3 0.5218466E-06 4 0.1197114E-06 5 0.5674565E-07 6 0.1035772E-07 7 0.3745105E-08 8 0.3124963E-08 9 0.0000000E+00 v, j, mj = 0 5 -2 0 0.1506912E-12 1 0.1643895E-06 2 0.9236301E-06 3 0.2363507E-05 4 0.2674040E-06 5 0.4189669E-08 6 0.1704521E-07 7 0.1066902E-07 8 0.6983540E-08 9 0.0000000E+00 v, j, mj = 0 5 -1 0 0.4232046E-06 1 0.5370728E-06 2 0.9460704E-05 3 0.1756000E-04 4 0.1333289E-05 5 0.4227706E-07 6 0.2459141E-07 7 0.9083974E-08 8 0.9748048E-08 9 0.0000000E+00 v, j, mj = 0 5 0 0 0.4002906E-12 1 0.1044088E-04 2 0.1172265E-03 3 0.1381653E-03 4 0.1939539E-04 5 0.9226266E-06 6 0.1352645E-06 7 0.7060745E-07 8 0.1203626E-07 9 0.0000000E+00 v, j, mj = 0 5 1 0 0.8848024E-11 1 0.6693528E-04 2 0.1385022E-02 3 0.1134968E-02 4 0.2465745E-03 5 0.1550367E-04 6 0.3889084E-06 7 0.1046899E-06 8 0.1683881E-07 9 0.0000000E+00 v, j, mj = 0 5 2 0 0.1711572E-05 1 0.1150604E-02 2 0.8766474E-02 3 0.9656391E-02 4 0.2780181E-02 5 0.2719082E-03 6 0.8197385E-05 7 0.3309336E-06 8 0.1486276E-07 9 0.0000000E+00 v, j, mj = 0 5 3 0 0.1640854E-10 1 0.2322904E-02 2 0.3286212E-01 3 0.4806958E-01 4 0.1898150E-01 5 0.2712413E-02 6 0.1037969E-03 7 0.1045065E-05 8 0.1484034E-07 9 0.0000000E+00 v, j, mj = 0 5 4 0 0.1576487E-12 1 0.3103786E-01 2 0.2913934E-01 3 0.1108621E+00 4 0.7606630E-01 5 0.1185972E-01 6 0.4609564E-03 7 0.3806348E-05 8 0.1143525E-07 9 0.0000000E+00 v, j, mj = 0 5 5 0 0.2674977E-02 1 0.2921066E+00 2 0.1221185E+00 3 0.3192250E-01 4 0.9484645E-01 5 0.3597603E-01 6 0.2096836E-02 7 0.1470917E-04 8 0.3018057E-07 9 0.0000000E+00 v, j, mj = 0 7 -7 0 0.1266589E-09 1 0.5863280E-10 2 0.2659437E-10 3 0.1068464E-09 4 0.2947973E-10 5 0.2607049E-10 6 0.4278330E-10 7 0.2839295E-11 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -6 0 0.1131602E-12 1 0.1397491E-10 2 0.6606818E-10 3 0.1414886E-09 4 0.4832958E-10 5 0.5656687E-10 6 0.4750992E-10 7 0.5765306E-11 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -5 0 0.1182790E-14 1 0.6404897E-10 2 0.9534974E-10 3 0.8424907E-10 4 0.1747850E-09 5 0.1867669E-09 6 0.1109851E-09 7 0.1242829E-10 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -4 0 0.1013972E-11 1 0.1750178E-09 2 0.1710326E-09 3 0.6365378E-10 4 0.3550382E-09 5 0.2037060E-09 6 0.5714469E-09 7 0.4265315E-10 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -3 0 0.1500856E-14 1 0.3852670E-09 2 0.5649472E-09 3 0.5420218E-09 4 0.1089086E-08 5 0.8535442E-09 6 0.7794755E-09 7 0.8133124E-10 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -2 0 0.3049154E-14 1 0.1969675E-08 2 0.5005589E-08 3 0.3441348E-08 4 0.2386766E-08 5 0.1586492E-08 6 0.5443263E-08 7 0.5535512E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -1 0 0.4454976E-08 1 0.1267735E-07 2 0.3986339E-07 3 0.7788699E-07 4 0.9231089E-08 5 0.1455557E-07 6 0.5923396E-08 7 0.1370646E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 0 0 0.2507641E-14 1 0.8048366E-07 2 0.6740548E-06 3 0.1020792E-05 4 0.1473995E-06 5 0.2115900E-07 6 0.4263358E-07 7 0.2297911E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 1 0 0.6636376E-13 1 0.2355775E-06 2 0.6600595E-05 3 0.6396711E-05 4 0.1477484E-05 5 0.7857157E-07 6 0.1871991E-07 7 0.3642475E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 2 0 0.1625710E-07 1 0.1413646E-05 2 0.1601435E-04 3 0.2262799E-04 4 0.5574711E-05 5 0.3505187E-06 6 0.5681530E-07 7 0.5171895E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 3 0 0.1345097E-12 1 0.1621628E-04 2 0.2367923E-04 3 0.3295942E-04 4 0.1488427E-04 5 0.1220371E-05 6 0.7556630E-07 7 0.7126533E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 4 0 0.9658978E-14 1 0.4687117E-03 2 0.5182831E-03 3 0.8259119E-04 4 0.1774778E-04 5 0.1429801E-05 6 0.5560563E-07 7 0.8906914E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 5 0 0.2726756E-03 1 0.2125956E-03 2 0.2923870E-03 3 0.5684647E-04 4 0.8445289E-05 5 0.1273860E-05 6 0.6819536E-07 7 0.1155283E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 6 0 0.5571455E-13 1 0.2285441E-04 2 0.2139819E-03 3 0.1563073E-03 4 0.2240911E-04 5 0.7050528E-06 6 0.1371484E-06 7 0.8269946E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 7 0 0.2074517E-11 1 0.2229827E-04 2 0.3553187E-05 3 0.1688456E-04 4 0.7088523E-05 5 0.9698151E-06 6 0.1297772E-06 7 0.3430944E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -9 0 0.3433567E-16 1 0.1304215E-12 2 0.2834935E-12 3 0.1999318E-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 9 -8 0 0.3680016E-17 1 0.9558314E-12 2 0.2866428E-12 3 0.1209402E-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 0.1588575E-11 1 0.2507315E-11 2 0.9582508E-11 3 0.5319170E-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 0.8261421E-16 1 0.1073204E-10 2 0.5757245E-11 3 0.1251194E-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 0.1782895E-16 1 0.1633030E-10 2 0.2060225E-11 3 0.1653683E-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 0.2665876E-12 1 0.5166507E-11 2 0.8714803E-11 3 0.1335297E-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 0.6263520E-16 1 0.1904853E-10 2 0.3583091E-10 3 0.2197353E-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 0.1192667E-16 1 0.2446214E-10 2 0.9744432E-10 3 0.1190019E-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 0.2116789E-11 1 0.5471384E-10 2 0.2220843E-09 3 0.4158904E-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 0 0 0.2432689E-17 1 0.1305547E-09 2 0.1417269E-08 3 0.1340446E-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 0.2432976E-16 1 0.9096038E-09 2 0.2423771E-08 3 0.7868497E-08 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 2 0 0.7554669E-09 1 0.1365195E-08 2 0.4500088E-08 3 0.1292143E-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 0.5643916E-16 1 0.6472507E-08 2 0.3223866E-07 3 0.1477219E-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 0.6724674E-17 1 0.8365598E-07 2 0.8542597E-07 3 0.8990295E-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 0.3552447E-07 1 0.1589240E-06 2 0.3069022E-06 3 0.6392751E-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 6 0 0.6221594E-17 1 0.2745903E-07 2 0.2199301E-06 3 0.9298138E-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 7 0 0.4504589E-16 1 0.8248625E-07 2 0.1800368E-06 3 0.6582645E-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 8 0 0.1895381E-08 1 0.5657043E-08 2 0.1242511E-06 3 0.6919798E-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 0.3862446E-16 1 0.1067207E-06 2 0.8025072E-07 3 0.9432283E-08 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 1 -1 0 0.5277225E-08 1 0.2174572E-07 2 0.2245260E-07 3 0.8924254E-08 4 0.7461591E-08 5 0.6112749E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 1 0 0 0.5454405E-15 1 0.4402500E-08 2 0.8403284E-08 3 0.7969212E-09 4 0.2895572E-08 5 0.9797992E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 1 1 0 0.1917179E-13 1 0.4187174E-07 2 0.4836151E-07 3 0.1784949E-07 4 0.1123175E-07 5 0.1626847E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 -3 0 0.1179226E-15 1 0.5223321E-10 2 0.9435164E-10 3 0.3765916E-09 4 0.8324536E-11 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 0.2297651E-16 1 0.5757930E-09 2 0.1985055E-08 3 0.2212361E-08 4 0.7341877E-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 -1 0 0.5215059E-09 1 0.8883355E-08 2 0.3497894E-08 3 0.1040234E-08 4 0.4244196E-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 0 0 0.7875689E-16 1 0.4480005E-09 2 0.1557005E-09 3 0.2015831E-08 4 0.1512189E-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 0.1422733E-14 1 0.7410073E-08 2 0.5927785E-08 3 0.1979335E-08 4 0.1706444E-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 0.3500430E-08 1 0.4400633E-08 2 0.2223144E-08 3 0.4367091E-08 4 0.1068274E-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 0.1653396E-15 1 0.4276881E-07 2 0.2997671E-07 3 0.3967226E-07 4 0.1324597E-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 = 0.9995803 average vibrational energy (ev) = 0.000000 average rotational energy (ev) = 0.209636 average diffraction energy (ev) = 0.053860 the reaction probability = 0.4197146D-03 etrans(icomin)= 0.151114 etrans(icomax)= 0.548327 etrans= 0.550000 CPU TIMES Total computation 112745.3533 (a) ... Propagating the wavefunction 110757.3139 (b) Setup time 1729.6546 Saving the wave function for rerun 40.6355 Calculating averages 5.9801 Calculating and saving BK-coeffs 19.7150 Asymptotic analysis 3.1310 Saving the flux coefficients 0.0000 Flux analysis 0.0000 ----------------------------------------------------- Sum 112556.4301 (a) ... FFTs along X and Y 4552.4619 Kinetic energy operation along Z 31703.3953 Kinetic energy operation along r 29119.9881 Potential energy multiplication 12313.7626 Legengre transforms 25959.6823 Shifting the wavefunction 2785.5222 Kinetic energy multiplications (xy) 485.7617 Absorbing the wavefunction 561.4021 Projection formalism 18.1025 Operations on specular grid 0.2024 ----------------------------------------------------- Sum 107500.2810 (b) ... Potential initialisation time 0.0001 Potential setup time 1702.3754 FFTs along X 2396.4979 FFTs along Y 2155.9639 Time spent on FGH for asympwf 0.4026 Ending date and time: Wed Jul 24 14:09:20 CEST 2019