Starting date and time: Tue Jul 23 00:06:33 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 000633.663 *** * 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: v0j5mj3-0.15eV-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: 3 * 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: 3 * 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 = 3 ... *** 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 = 0.28133392E-04 secs * Grids are setup! * 5-Mode arrays are allocated! * 4-Mode arrays are allocated! ******************************************************************************** INFO FROM SETTING UP THE INTERACTION POTENTIAL ******************************************************************************** * Setting up the Cu111_B86SRP68-DF2_Z8A_C3v PES... Number of points in Z for which the potential is calculated = 162 Number of points in r for which the potential is calculated = 56 Number of points in x for which the potential is calculated = 20 Number of points in y for which the potential is calculated = 20 Number of points in theta for which the potential is calculated = 13 Number of points in phi for which the potential is calculated = 56 iz = 1 iz = 2 iz = 3 iz = 4 iz = 5 iz = 6 iz = 7 iz = 8 iz = 9 iz = 10 iz = 11 iz = 12 iz = 13 iz = 14 iz = 15 iz = 16 iz = 17 iz = 18 iz = 19 iz = 20 iz = 21 iz = 22 iz = 23 iz = 24 iz = 25 iz = 26 iz = 27 iz = 28 iz = 29 iz = 30 iz = 31 iz = 32 iz = 33 iz = 34 iz = 35 iz = 36 iz = 37 iz = 38 iz = 39 iz = 40 iz = 41 iz = 42 iz = 43 iz = 44 iz = 45 iz = 46 iz = 47 iz = 48 iz = 49 iz = 50 iz = 51 iz = 52 iz = 53 iz = 54 iz = 55 iz = 56 iz = 57 iz = 58 iz = 59 iz = 60 iz = 61 iz = 62 iz = 63 iz = 64 iz = 65 iz = 66 iz = 67 iz = 68 iz = 69 iz = 70 iz = 71 iz = 72 iz = 73 iz = 74 iz = 75 iz = 76 iz = 77 iz = 78 iz = 79 iz = 80 iz = 81 iz = 82 iz = 83 iz = 84 iz = 85 iz = 86 iz = 87 iz = 88 iz = 89 iz = 90 iz = 91 iz = 92 iz = 93 iz = 94 iz = 95 iz = 96 iz = 97 iz = 98 iz = 99 iz = 100 iz = 101 iz = 102 iz = 103 iz = 104 iz = 105 iz = 106 iz = 108 iz = 107 iz = 109 iz = 110 iz = 112 iz = 111 iz = 113 iz = 114 iz = 116 iz = 115 iz = 117 iz = 118 iz = 120 iz = 119 iz = 121 iz = 122 iz = 124 iz = 123 iz = 125 iz = 126 iz = 128 iz = 127 iz = 129 iz = 130 iz = 132 iz = 131 iz = 133 iz = 134 iz = 136 iz = 135 iz = 137 iz = 138 iz = 140 iz = 139 iz = 141 iz = 142 iz = 144 iz = 148 iz = 152 iz = 156 iz = 160 iz = 146 iz = 150 iz = 154 iz = 145 iz = 158 iz = 149 iz = 162 iz = 153 iz = 157 iz = 161 iz = 143 iz = 147 iz = 151 iz = 155 iz = 159 Saving Cu111_B86SRP68-DF2_Z8A_C3v PES into file : ./Cu111_B86SRP68-DF2_Z8A_C3v_162_-1.000_0.100_56_0.800_0.150_20_20_4.864_25_25. pes WARNING in routine SetupThePES in module Potential: vdvr contains more indices than can be represented by a four byte integer. Therefore the result of the inquiry 'SIZE(vdvr)' will be wrong! Program continues with dirty trick fix. Beware! * Imposing a maximum on the potential; vmax (eV) = 0.10000000E+02 Total time setting up the potential = 0.17034588E+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 = 209 ******************************************************************************** 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 = 10841 ******************************************************************************** INFO FROM SETTING UP THE OPTICAL POTENTIALS ******************************************************************************** * Optical potential in Z absorbs with coefficient: 0.83111374E-02 * Optical potential in r absorbs with coefficient: 0.93569763E-02 * Optical potential in Z specular absorbs with coefficient: 0.64071284E-02 ******************************************************************************** INFO FROM SETTING UP THE GRID ENERGIES ******************************************************************************** * Maximum diffraction order included on the momentum grid = 0 * Number of diffraction channels included = 0 * Number of diffraction channels excluded = 0 * initial parallel energy (eV) = 0.00000000E+00 ******************************************************************************** INFO FROM SETTING UP THE KINETIC ENERGY OPERATORS ******************************************************************************** ******************************************************************************** INFO FROM SETTING UP THE WAVE FUNCTION ******************************************************************************** * Norm initial wave packet (Z,r) = 0.10000000E+01 * Absolute value of the wave function in momentum space: - at k = 0 0.20426229E-04 - at the end/beginning of the grid 0.20158188E-14 - maximum value = 0.52335254E+00 * Grid point boundaries between which initial wave packet must be located: - Low boundary (asymptotic value of Z), iLow = 163 - High boundary (start of opt. pot on spec. grid), iHigh = 208 * Norm of the initial wave packet between iLow and iHigh = 0.10000000E+01 ******************************************************************************** INFO FROM SETTING UP THE ANALYSIS ******************************************************************************** * Tolerance for fixing the dynamical analysis surface on the specular grid = 0.10000000E-08 * Maximum j in analysis: jana = 10 * Maximum v in analysis: nviba = 2 * Maximum diffraction order in analysis: mdifa = 9 ******************************************************************************** INFO FROM SETTING UP THE SPLIT OPERATOR PROPAGATOR ******************************************************************************** ----- Split operator propagator set up ----- ******************************************************************************** INFO ON PROPAGATING THE WAVE PACKET ******************************************************************************** time norm z r rest norm 0.00000000E+00 1.00000000 17.40000000 1.49161912 0.10000000E+01 0.50000000E+02 0.99999997 17.27377086 1.49162604 0.99999996E+00 0.10000000E+03 0.99999993 17.14754172 1.49163281 0.99999991E+00 0.15000000E+03 0.99999990 17.02131258 1.49163382 0.99999973E+00 0.20000000E+03 0.99999986 16.89508344 1.49163345 0.99999844E+00 0.25000000E+03 0.99999983 16.76885430 1.49163175 0.99998972E+00 0.30000000E+03 0.99999979 16.64262516 1.49162542 0.99993915E+00 0.35000000E+03 0.99999976 16.51639602 1.49161944 0.99969706E+00 0.40000000E+03 0.99999972 16.39016687 1.49162630 0.99874770E+00 0.45000000E+03 0.99999969 16.26393773 1.49163397 0.99569651E+00 0.50000000E+03 0.99999965 16.13770858 1.49163404 0.98760698E+00 0.55000000E+03 0.99999962 16.01147941 1.49163297 0.96972233E+00 0.60000000E+03 0.99999959 15.88525016 1.49163077 0.93629591E+00 0.65000000E+03 0.99999955 15.75902072 1.49162486 0.88265966E+00 0.70000000E+03 0.99999952 15.63279086 1.49161994 0.80756244E+00 0.75000000E+03 0.99999948 15.50656013 1.49162651 0.71431835E+00 0.80000000E+03 0.99999945 15.38032789 1.49163529 0.61002982E+00 0.85000000E+03 0.99999941 15.25409318 1.49163398 0.50340967E+00 0.90000000E+03 0.99999938 15.12785481 1.49163241 0.40241919E+00 0.95000000E+03 0.99999934 15.00161134 1.49162985 0.31270916E+00 0.10000000E+04 0.99999931 14.87536121 1.49162435 0.23716166E+00 0.10500000E+04 0.99999927 14.74910281 1.49162049 0.17627124E+00 0.11000000E+04 0.99999924 14.62283452 1.49162698 0.12890996E+00 0.11500000E+04 0.99999920 14.49655481 1.49163621 0.93104718E-01 0.12000000E+04 0.99999917 14.37026219 1.49163425 0.66633341E-01 0.12500000E+04 0.99999914 14.24395527 1.49163180 0.47394688E-01 0.13000000E+04 0.99999910 14.11763267 1.49162940 0.33589128E-01 0.13500000E+04 0.99999907 13.99129299 1.49162496 0.23771115E-01 0.14000000E+04 0.99999903 13.86493478 1.49162295 0.16829997E-01 0.14500000E+04 0.99999900 13.73855643 1.49163101 0.11939064E-01 0.15000000E+04 0.99999896 13.61215617 1.49164255 0.84968574E-02 0.15500000E+04 0.99999893 13.48573197 1.49164387 0.60728862E-02 0.16000000E+04 0.99999889 13.35928150 1.49164468 0.43625335E-02 0.16500000E+04 0.99999886 13.23280211 1.49164952 0.31518903E-02 0.17000000E+04 0.99999882 13.10629076 1.49165355 0.22914434E-02 0.17500000E+04 0.99999879 12.97974405 1.49166298 0.16769315E-02 0.18000000E+04 0.99999875 12.85315819 1.49168361 0.12356803E-02 0.18500000E+04 0.99999872 12.72652900 1.49170914 0.91697976E-03 0.19000000E+04 0.99999869 12.59985201 1.49172663 0.68536653E-03 0.19500000E+04 0.99999865 12.47312239 1.49174384 0.51595990E-03 0.20000000E+04 0.99999862 12.34633510 1.49176861 0.39123462E-03 0.20500000E+04 0.99999858 12.21948486 1.49179319 0.29879136E-03 0.21000000E+04 0.99999855 12.09256622 1.49182461 0.22981272E-03 0.21500000E+04 0.99999851 11.96557360 1.49186620 0.17799591E-03 0.22000000E+04 0.99999848 11.83850129 1.49191233 0.13881038E-03 0.22500000E+04 0.99999844 11.71134350 1.49195008 0.10898055E-03 0.23000000E+04 0.99999841 11.58409435 1.49198572 0.86124804E-04 0.23500000E+04 0.99999837 11.45674790 1.49202941 0.68500123E-04 0.24000000E+04 0.99999834 11.32929812 1.49207263 0.54823670E-04 0.24500000E+04 0.99999830 11.20173895 1.49212073 0.44145460E-04 0.25000000E+04 0.99999827 11.07406426 1.49217790 0.35757796E-04 0.25500000E+04 0.99999824 10.94626791 1.49223745 0.29130383E-04 0.26000000E+04 0.99999820 10.81834377 1.49228797 0.23863574E-04 0.26500000E+04 0.99999817 10.69028575 1.49233518 0.19654229E-04 0.27000000E+04 0.99999813 10.56208790 1.49239030 0.16272037E-04 0.27500000E+04 0.99999810 10.43374444 1.49244611 0.13539845E-04 0.28000000E+04 0.99999806 10.30524992 1.49250494 0.11321384E-04 0.28500000E+04 0.99999803 10.17659929 1.49257358 0.95110910E-05 0.29000000E+04 0.99999799 10.04778808 1.49264307 0.80267599E-05 0.29500000E+04 0.99999796 9.91881260 1.49270525 0.68038183E-05 0.30000000E+04 0.99999792 9.78967011 1.49276415 0.57920866E-05 0.30500000E+04 0.99999789 9.66035909 1.49283289 0.49512801E-05 0.31000000E+04 0.99999785 9.53087950 1.49290602 0.42495530E-05 0.31500000E+04 0.99999782 9.40123310 1.49298278 0.36614729E-05 0.32000000E+04 0.99999778 9.27142379 1.49307293 0.31666569E-05 0.32500000E+04 0.99999775 9.14145798 1.49316736 0.27487031E-05 0.33000000E+04 0.99999771 9.01134505 1.49326029 0.23943427E-05 0.33500000E+04 0.99999768 8.88109772 1.49335664 0.20927801E-05 0.34000000E+04 0.99999764 8.75073261 1.49347192 0.18352001E-05 0.34500000E+04 0.99999761 8.62027070 1.49360370 0.16144008E-05 0.35000000E+04 0.99999757 8.48973785 1.49375145 0.14244982E-05 0.35500000E+04 0.99999754 8.35916542 1.49392771 0.12604305E-05 0.36000000E+04 0.99999750 8.22859072 1.49412806 0.11186735E-05 0.36500000E+04 0.99999746 8.09805767 1.49434920 0.99561943E-06 0.37000000E+04 0.99999743 7.96761729 1.49460185 0.88844514E-06 0.37500000E+04 0.99999739 7.83732828 1.49490380 0.79479851E-06 0.38000000E+04 0.99999735 7.70725749 1.49526043 0.71273906E-06 0.38500000E+04 0.99999731 7.57748040 1.49567285 0.64066229E-06 0.39000000E+04 0.99999727 7.44808152 1.49615741 0.57721969E-06 0.39500000E+04 0.99999723 7.31915472 1.49671769 0.52105393E-06 0.40000000E+04 0.99999719 7.19080350 1.49735148 0.47158949E-06 0.40500000E+04 0.99999713 7.06314116 1.49807463 0.42776029E-06 0.41000000E+04 0.99999707 6.93629079 1.49890450 0.38882348E-06 0.41500000E+04 0.99999699 6.81038531 1.49984942 0.35412854E-06 0.42000000E+04 0.99999689 6.68556718 1.50090646 0.32311853E-06 0.42500000E+04 0.99999675 6.56198812 1.50208617 0.29534325E-06 0.43000000E+04 0.99999656 6.43980869 1.50338832 0.27045596E-06 0.43500000E+04 0.99999628 6.31919770 1.50480097 0.24798310E-06 0.44000000E+04 0.99999589 6.20033152 1.50632630 0.22804942E-06 0.44500000E+04 0.99999534 6.08339331 1.50796624 0.21016324E-06 0.45000000E+04 0.99999457 5.96857212 1.50971186 0.19403124E-06 0.45500000E+04 0.99999352 5.85606190 1.51154179 0.17939591E-06 0.46000000E+04 0.99999211 5.74606041 1.51344106 0.16606251E-06 0.46500000E+04 0.99999023 5.63876816 1.51539113 0.15389339E-06 0.47000000E+04 0.99998779 5.53438717 1.51736076 0.14278307E-06 0.47500000E+04 0.99998466 5.43311977 1.51932984 0.13263809E-06 0.48000000E+04 0.99998072 5.33516732 1.52128483 0.12337380E-06 0.48500000E+04 0.99997584 5.24072885 1.52320400 0.11491862E-06 0.49000000E+04 0.99996991 5.14999972 1.52506098 0.10721060E-06 0.49500000E+04 0.99996282 5.06317021 1.52683337 0.10018559E-06 0.50000000E+04 0.99995448 4.98042421 1.52850279 0.93569024E-07 0.50500000E+04 0.99994483 4.90193796 1.53004159 0.87691172E-07 0.51000000E+04 0.99993383 4.82787893 1.53142964 0.82267899E-07 0.51500000E+04 0.99992150 4.75840470 1.53265582 0.77240938E-07 0.52000000E+04 0.99990788 4.69366203 1.53370636 0.72575385E-07 0.52500000E+04 0.99989306 4.63378598 1.53456914 0.68251575E-07 0.53000000E+04 0.99987715 4.57889896 1.53524007 0.64253410E-07 0.53500000E+04 0.99986033 4.52910991 1.53572557 0.60563130E-07 0.54000000E+04 0.99984275 4.48451343 1.53603149 0.57159450E-07 0.54500000E+04 0.99982462 4.44518914 1.53616733 0.54021809E-07 0.55000000E+04 0.99980611 4.41120110 1.53614672 0.51125652E-07 0.55500000E+04 0.99978743 4.38259751 1.53597487 0.48247798E-07 0.56000000E+04 0.99976874 4.35941079 1.53564858 0.45761639E-07 0.56500000E+04 0.99975021 4.34165773 1.53516406 0.43432416E-07 0.57000000E+04 0.99973200 4.32934003 1.53452343 0.41248263E-07 0.57500000E+04 0.99971423 4.32244477 1.53373609 0.39198100E-07 0.58000000E+04 0.99969704 4.32094501 1.53282191 0.37243641E-07 0.58500000E+04 0.99968053 4.32480027 1.53181260 0.35415242E-07 0.59000000E+04 0.99966483 4.33395713 1.53073699 0.33738519E-07 0.59500000E+04 0.99965002 4.34834994 1.52961059 0.32123773E-07 0.60000000E+04 0.99963618 4.36790171 1.52843431 0.30602680E-07 0.60500000E+04 0.99962338 4.39252512 1.52719880 0.29214107E-07 0.61000000E+04 0.99961167 4.42212355 1.52589477 0.27779074E-07 0.61500000E+04 0.99960108 4.45659193 1.52452579 0.26451777E-07 0.62000000E+04 0.99959159 4.49581734 1.52311768 0.25264138E-07 0.62500000E+04 0.99958320 4.53967942 1.52170920 0.24007381E-07 0.63000000E+04 0.99957584 4.58805073 1.52033493 0.22657817E-07 0.63500000E+04 0.99956946 4.64079739 1.51901107 0.22055227E-07 0.64000000E+04 0.99956396 4.69777995 1.51772913 0.21274565E-07 0.64500000E+04 0.99955926 4.75885462 1.51646376 0.19686718E-07 0.65000000E+04 0.99955526 4.82387450 1.51519205 0.19381351E-07 0.65500000E+04 0.99955185 4.89269058 1.51391315 0.20018599E-07 0.66000000E+04 0.99954893 4.96515261 1.51265162 0.18453299E-07 0.66500000E+04 0.99954644 5.04110952 1.51144300 0.17207165E-07 0.67000000E+04 0.99954428 5.12040985 1.51031321 0.20531687E-07 0.67500000E+04 0.99954240 5.20290215 1.50926266 0.23262700E-07 0.68000000E+04 0.99954075 5.28843555 1.50826682 0.21531878E-07 ==> ZAnalysis on specular channel fixed at Z = 0.16800000E+02 0.68500000E+04 0.99953928 5.37686043 1.50729406 0.26159459E-07 0.69000000E+04 0.99953797 5.46802909 1.50632851 0.43238756E-07 0.69500000E+04 0.99953678 5.56179630 1.50538123 0.58709875E-07 0.70000000E+04 0.99953569 5.65801975 1.50448132 0.71334405E-07 0.70500000E+04 0.99953467 5.75656031 1.50365499 0.10972728E-06 0.71000000E+04 0.99953370 5.85728233 1.50290635 0.18620049E-06 0.71500000E+04 0.99953275 5.96005387 1.50221427 0.27729141E-06 0.72000000E+04 0.99953177 6.06474696 1.50154810 0.38636927E-06 0.72500000E+04 0.99953071 6.17123783 1.50088983 0.57145786E-06 0.73000000E+04 0.99952952 6.27940715 1.50024610 0.86762220E-06 0.73500000E+04 0.99952811 6.38914009 1.49964125 0.12449677E-05 0.74000000E+04 0.99952638 6.50032635 1.49909731 0.16986425E-05 0.74500000E+04 0.99952419 6.61286012 1.49861598 0.23119993E-05 0.75000000E+04 0.99952139 6.72664003 1.49817608 0.31574292E-05 0.75500000E+04 0.99951772 6.84156902 1.49774877 0.41963573E-05 0.76000000E+04 0.99951291 6.95755423 1.49731872 0.53664335E-05 0.76500000E+04 0.99950658 7.07450681 1.49689480 0.67179179E-05 0.77000000E+04 0.99949822 7.19234166 1.49650208 0.83552036E-05 0.77500000E+04 0.99948720 7.31097714 1.49616123 0.10264772E-04 0.78000000E+04 0.99947272 7.43033465 1.49587137 0.12327396E-04 0.78500000E+04 0.99945372 7.55033823 1.49560946 0.14532102E-04 0.79000000E+04 0.99942892 7.67091405 1.49534675 0.17075491E-04 0.79500000E+04 0.99939667 7.79198992 1.49506989 0.20203277E-04 0.80000000E+04 0.99935496 7.91349475 1.49479023 0.24079235E-04 0.80500000E+04 0.99930132 8.03535800 1.49453411 0.28970547E-04 0.81000000E+04 0.99923276 8.15750915 1.49432171 0.35562870E-04 0.81500000E+04 0.99914574 8.27987728 1.49415082 0.44987593E-04 0.82000000E+04 0.99903605 8.40239066 1.49399795 0.58541130E-04 0.82500000E+04 0.99889885 8.52497649 1.49383582 0.77536887E-04 0.83000000E+04 0.99872857 8.64756078 1.49365378 0.10355191E-03 0.83500000E+04 0.99851896 8.77006845 1.49346544 0.13871929E-03 0.84000000E+04 0.99826307 8.89242355 1.49329730 0.18555758E-03 0.84500000E+04 0.99795333 9.01454967 1.49316751 0.24638453E-03 0.85000000E+04 0.99758158 9.13637051 1.49307130 0.32289948E-03 0.85500000E+04 0.99713915 9.25781046 1.49298446 0.41630982E-03 0.86000000E+04 0.99661696 9.37879526 1.49288190 0.52768661E-03 0.86500000E+04 0.99600555 9.49925251 1.49275696 0.65797097E-03 0.87000000E+04 0.99529521 9.61911207 1.49262647 0.80752552E-03 0.87500000E+04 0.99447593 9.73830630 1.49251731 0.97574830E-03 0.88000000E+04 0.99353747 9.85677003 1.49244503 0.11612720E-02 0.88500000E+04 0.99246930 9.97444039 1.49240124 0.13626804E-02 0.89000000E+04 0.99126059 10.09125650 1.49235965 0.15791993E-02 0.89500000E+04 0.98990016 10.20715911 1.49229619 0.18109166E-02 0.90000000E+04 0.98837645 10.32209030 1.49220742 0.20585954E-02 0.90500000E+04 0.98667752 10.43599337 1.49211339 0.23234675E-02 0.91000000E+04 0.98479112 10.54881290 1.49204209 0.26072767E-02 0.91500000E+04 0.98270474 10.66049511 1.49200773 0.29125163E-02 0.92000000E+04 0.98040577 10.77098846 1.49199977 0.32425919E-02 0.92500000E+04 0.97788170 10.88024441 1.49199088 0.36016958E-02 0.93000000E+04 0.97512025 10.98821817 1.49195792 0.39943538E-02 0.93500000E+04 0.97210958 11.09486951 1.49189933 0.44247250E-02 0.94000000E+04 0.96883845 11.20016321 1.49183590 0.48958352E-02 0.94500000E+04 0.96529627 11.30406929 1.49179396 0.54089979E-02 0.95000000E+04 0.96147320 11.40656288 1.49178437 0.59635246E-02 0.95500000E+04 0.95736004 11.50762370 1.49179406 0.65567485E-02 0.96000000E+04 0.95294823 11.60723534 1.49179634 0.71843165E-02 0.96500000E+04 0.94822970 11.70538439 1.49177223 0.78406017E-02 0.97000000E+04 0.94319683 11.80205959 1.49172579 0.85191663E-02 0.97500000E+04 0.93784239 11.89725119 1.49168126 0.92131664E-02 0.98000000E+04 0.93215956 11.99095057 1.49166401 0.99156552E-02 0.98500000E+04 0.92614203 12.08315015 1.49167983 0.10619937E-01 0.99000000E+04 0.91978406 12.17384359 1.49170953 0.11319986E-01 0.99500000E+04 0.91308072 12.26302619 1.49172299 0.12010798E-01 0.10000000E+05 0.90602798 12.35069535 1.49170246 0.12688623E-01 0.10050000E+05 0.89862286 12.43685096 1.49165681 0.13350942E-01 0.10100000E+05 0.89086352 12.52149562 1.49161541 0.13996249E-01 0.10150000E+05 0.88274931 12.60463477 1.49160579 0.14623702E-01 0.10200000E+05 0.87428075 12.68627658 1.49163201 0.15232678E-01 0.10250000E+05 0.86545956 12.76643176 1.49167108 0.15822366E-01 0.10300000E+05 0.85628863 12.84511334 1.49169024 0.16391564E-01 0.10350000E+05 0.84677203 12.92233658 1.49167241 0.16938666E-01 0.10400000E+05 0.83691502 12.99811886 1.49163000 0.17461910E-01 0.10450000E+05 0.82672416 13.07247978 1.49159598 0.17959781E-01 0.10500000E+05 0.81620733 13.14544124 1.49159861 0.18431386E-01 0.10550000E+05 0.80537378 13.21702767 1.49163875 0.18876592E-01 0.10600000E+05 0.79423423 13.28726603 1.49168786 0.19295840E-01 0.10650000E+05 0.78280085 13.35618590 1.49170874 0.19689820E-01 0.10700000E+05 0.77108721 13.42381925 1.49168347 0.20059271E-01 0.10750000E+05 0.75910824 13.49020019 1.49162795 0.20404946E-01 0.10800000E+05 0.74688013 13.55536451 1.49158135 0.20727677E-01 0.10850000E+05 0.73442018 13.61934920 1.49157826 0.21028420E-01 0.10900000E+05 0.72174663 13.68219187 1.49162354 0.21308138E-01 0.10950000E+05 0.70887854 13.74393018 1.49168857 0.21567608E-01 0.11000000E+05 0.69583561 13.80460146 1.49173151 0.21807346E-01 0.11050000E+05 0.68263801 13.86424225 1.49172597 0.22027785E-01 0.11100000E+05 0.66930630 13.92288824 1.49167845 0.22229571E-01 0.11150000E+05 0.65586129 13.98057411 1.49162267 0.22413691E-01 0.11200000E+05 0.64232394 14.03733375 1.49159565 0.22581383E-01 0.11250000E+05 0.62871532 14.09320053 1.49161284 0.22734004E-01 0.11300000E+05 0.61505649 14.14820763 1.49165957 0.22872951E-01 0.11350000E+05 0.60136854 14.20238861 1.49170375 0.22999589E-01 0.11400000E+05 0.58767242 14.25577777 1.49171870 0.23115103E-01 0.11450000E+05 0.57398897 14.30841062 1.49170028 0.23220332E-01 0.11500000E+05 0.56033877 14.36032415 1.49166729 0.23315692E-01 0.11550000E+05 0.54674203 14.41155693 1.49164592 0.23401217E-01 0.11600000E+05 0.53321852 14.46214911 1.49165019 0.23476736E-01 0.11650000E+05 0.51978738 14.51214218 1.49167303 0.23542130E-01 0.11700000E+05 0.50646705 14.56157863 1.49169421 0.23597479E-01 0.11750000E+05 0.49327508 14.61050148 1.49169701 0.23643002E-01 0.11800000E+05 0.48022807 14.65895390 1.49168095 0.23678881E-01 0.11850000E+05 0.46734159 14.70697872 1.49166178 0.23705160E-01 0.11900000E+05 0.45463010 14.75461812 1.49165800 0.23721744E-01 0.11950000E+05 0.44210697 14.80191341 1.49167507 0.23728398E-01 0.12000000E+05 0.42978440 14.84890490 1.49170040 0.23724760E-01 0.12050000E+05 0.41767350 14.89563189 1.49171379 0.23710447E-01 0.12100000E+05 0.40578425 14.94213266 1.49170352 0.23685208E-01 0.12150000E+05 0.39412558 14.98844460 1.49167559 0.23648989E-01 0.12200000E+05 0.38270531 15.03460416 1.49165049 0.23601887E-01 0.12250000E+05 0.37153023 15.08064685 1.49164790 0.23544081E-01 0.12300000E+05 0.36060609 15.12660712 1.49167082 0.23475718E-01 0.12350000E+05 0.34993762 15.17251814 1.49170295 0.23396799E-01 0.12400000E+05 0.33952854 15.21841154 1.49172129 0.23307171E-01 0.12450000E+05 0.32938159 15.26431716 1.49171261 0.23206663E-01 0.12500000E+05 0.31949859 15.31026278 1.49168206 0.23095240E-01 0.12550000E+05 0.30988048 15.35627396 1.49165045 0.22973057E-01 0.12600000E+05 0.30052737 15.40237386 1.49164008 0.22840410E-01 0.12650000E+05 0.29143860 15.44858324 1.49165792 0.22697620E-01 0.12700000E+05 0.28261281 15.49492046 1.49169086 0.22544883E-01 0.12750000E+05 0.27404802 15.54140155 1.49171612 0.22382181E-01 0.12800000E+05 0.26574164 15.58804025 1.49171667 0.22209341E-01 0.12850000E+05 0.25769056 15.63484811 1.49169162 0.22026171E-01 0.12900000E+05 0.24989117 15.68183443 1.49165757 0.21832602E-01 0.12950000E+05 0.24233944 15.72900628 1.49163741 0.21628734E-01 0.13000000E+05 0.23503093 15.77636839 1.49164281 0.21414799E-01 0.13050000E+05 0.22796082 15.82392309 1.49166728 0.21191051E-01 0.13100000E+05 0.22112399 15.87167012 1.49169356 0.20957671E-01 0.13150000E+05 0.21451502 15.91960663 1.49170553 0.20714758E-01 0.13200000E+05 0.20812825 15.96772708 1.49169709 0.20462407E-01 0.13250000E+05 0.20195782 16.01602321 1.49167586 0.20200802E-01 0.13300000E+05 0.19599768 16.06448407 1.49165666 0.19930255E-01 0.13350000E+05 0.19024168 16.11309611 1.49164850 0.19651157E-01 0.13400000E+05 0.18468355 16.16184321 1.49165072 0.19363912E-01 0.13450000E+05 0.17931696 16.21070684 1.49165860 0.19068910E-01 0.13500000E+05 0.17413553 16.25966618 1.49166725 0.18766542E-01 0.13550000E+05 0.16913289 16.30869834 1.49167336 0.18457248E-01 0.13600000E+05 0.16430270 16.35777852 1.49167761 0.18141560E-01 0.13650000E+05 0.15963864 16.40688033 1.49168187 0.17820098E-01 0.13700000E+05 0.15513449 16.45597602 1.49168214 0.17493537E-01 0.13750000E+05 0.15078411 16.50503676 1.49167179 0.17162547E-01 0.13800000E+05 0.14658148 16.55403299 1.49165157 0.16827760E-01 0.13850000E+05 0.14252072 16.60293464 1.49163090 0.16489770E-01 0.13900000E+05 0.13859609 16.65171141 1.49162262 0.16149157E-01 0.13950000E+05 0.13480200 16.70033299 1.49163725 0.15806527E-01 0.14000000E+05 0.13113305 16.74876926 1.49167336 0.15462529E-01 0.14050000E+05 0.12758398 16.79699047 1.49170992 0.15117820E-01 0.14100000E+05 0.12414974 16.84496742 1.49171863 0.14773019E-01 0.14150000E+05 0.12082545 16.89267158 1.49168782 0.14428676E-01 0.14200000E+05 0.11760642 16.94007521 1.49163191 0.14085299E-01 0.14250000E+05 0.11448816 16.98715141 1.49158413 0.13743378E-01 0.14300000E+05 0.11146633 17.03387423 1.49157931 0.13403391E-01 0.14350000E+05 0.10853681 17.08021864 1.49162819 0.13065800E-01 0.14400000E+05 0.10569563 17.12616055 1.49170142 0.12731035E-01 0.14450000E+05 0.10293903 17.17167683 1.49174785 0.12399490E-01 0.14500000E+05 0.10026340 17.21674533 1.49173366 0.12071511E-01 0.14550000E+05 0.09766530 17.26134487 1.49166498 0.11747405E-01 0.14600000E+05 0.09514146 17.30545526 1.49158476 0.11427458E-01 0.14650000E+05 0.09268878 17.34905737 1.49154844 0.11111950E-01 0.14700000E+05 0.09030430 17.39213307 1.49158382 0.10801154E-01 0.14750000E+05 0.08798523 17.43466532 1.49166562 0.10495318E-01 0.14800000E+05 0.08572889 17.47663813 1.49173513 0.10194644E-01 0.14850000E+05 0.08353277 17.51803662 1.49174630 0.98992991E-02 0.14900000E+05 0.08139450 17.55884695 1.49169410 0.96094214E-02 0.14950000E+05 0.07931181 17.59905641 1.49161511 0.93251248E-02 0.15000000E+05 0.07728257 17.63865336 1.49156491 0.90464985E-02 0.15050000E+05 0.07530477 17.67762722 1.49157647 0.87736090E-02 0.15100000E+05 0.07337650 17.71596852 1.49163373 0.85065062E-02 0.15150000E+05 0.07149598 17.75366885 1.49169088 0.82452251E-02 0.15200000E+05 0.06966152 17.79072089 1.49171224 0.79897891E-02 0.15250000E+05 0.06787151 17.82711839 1.49169111 0.77402132E-02 0.15300000E+05 0.06612448 17.86285619 1.49164759 0.74965050E-02 0.15350000E+05 0.06441900 17.89793021 1.49161469 0.72586636E-02 0.15400000E+05 0.06275376 17.93233746 1.49161112 0.70266778E-02 0.15450000E+05 0.06112752 17.96607601 1.49162690 0.68005220E-02 0.15500000E+05 0.05953911 17.99914497 1.49164268 0.65801531E-02 0.15550000E+05 0.05798743 18.03154449 1.49165208 0.63655135E-02 0.15600000E+05 0.05647147 18.06327576 1.49165795 0.61565461E-02 0.15650000E+05 0.05499026 18.09434092 1.49166229 0.59532053E-02 0.15700000E+05 0.05354289 18.12474310 1.49166541 0.57554493E-02 0.15750000E+05 0.05212853 18.15448633 1.49166182 0.55632229E-02 0.15800000E+05 0.05074638 18.18357556 1.49164292 0.53764533E-02 0.15850000E+05 0.04939569 18.21201657 1.49161525 0.51950663E-02 0.15900000E+05 0.04807575 18.23981595 1.49160221 0.50189967E-02 0.15950000E+05 0.04678591 18.26698104 1.49161841 0.48481774E-02 0.16000000E+05 0.04552552 18.29351987 1.49165457 0.46825228E-02 0.16050000E+05 0.04429400 18.31944110 1.49168823 0.45219291E-02 0.16100000E+05 0.04309077 18.34475397 1.49169596 0.43662936E-02 0.16150000E+05 0.04191530 18.36946820 1.49166664 0.42155249E-02 0.16200000E+05 0.04076707 18.39359395 1.49161831 0.40695309E-02 0.16250000E+05 0.03964556 18.41714173 1.49158778 0.39282037E-02 0.16300000E+05 0.03855031 18.44012235 1.49159568 0.37914218E-02 0.16350000E+05 0.03748084 18.46254686 1.49163278 0.36590681E-02 0.16400000E+05 0.03643669 18.48442643 1.49167507 0.35310407E-02 0.16450000E+05 0.03541743 18.50577237 1.49169668 0.34072417E-02 0.16500000E+05 0.03442262 18.52659601 1.49168226 0.32875599E-02 0.16550000E+05 0.03345182 18.54690869 1.49164354 0.31718685E-02 0.16600000E+05 0.03250462 18.56672168 1.49161004 0.30600408E-02 0.16650000E+05 0.03158061 18.58604616 1.49159966 0.29519637E-02 0.16700000E+05 0.03067936 18.60489320 1.49161188 0.28475350E-02 0.16750000E+05 0.02980048 18.62327369 1.49163925 0.27466519E-02 0.16800000E+05 0.02894356 18.64119836 1.49166783 0.26492065E-02 0.16850000E+05 0.02810820 18.65867770 1.49168002 0.25550924E-02 0.16900000E+05 0.02729401 18.67572203 1.49167152 0.24642076E-02 0.16950000E+05 0.02650059 18.69234141 1.49165146 0.23764517E-02 0.17000000E+05 0.02572754 18.70854567 1.49162704 0.22917228E-02 0.17050000E+05 0.02497448 18.72434440 1.49160632 0.22099230E-02 0.17100000E+05 0.02424102 18.73974692 1.49160389 0.21309642E-02 0.17150000E+05 0.02352677 18.75476234 1.49162539 0.20547659E-02 0.17200000E+05 0.02283136 18.76939949 1.49165781 0.19812455E-02 0.17250000E+05 0.02215440 18.78366702 1.49168389 0.19103139E-02 0.17300000E+05 0.02149552 18.79757332 1.49169022 0.18418807E-02 0.17350000E+05 0.02085434 18.81112657 1.49166690 0.17758630E-02 0.17400000E+05 0.02023050 18.82433475 1.49162226 0.17121863E-02 0.17450000E+05 0.01962361 18.83720566 1.49158699 0.16507770E-02 0.17500000E+05 0.01903333 18.84974689 1.49158712 0.15915588E-02 0.17550000E+05 0.01845929 18.86196589 1.49162260 0.15344562E-02 0.17600000E+05 0.01790114 18.87386996 1.49167379 0.14794029E-02 0.17650000E+05 0.01735851 18.88546624 1.49171080 0.14263417E-02 0.17700000E+05 0.01683107 18.89676173 1.49170445 0.13752132E-02 0.17750000E+05 0.01631846 18.90776331 1.49165378 0.13259458E-02 0.17800000E+05 0.01582035 18.91847774 1.49159441 0.12784589E-02 0.17850000E+05 0.01533640 18.92891167 1.49156706 0.12326798E-02 0.17900000E+05 0.01486627 18.93907165 1.49158827 0.11885577E-02 0.17950000E+05 0.01440965 18.94896409 1.49164674 0.11460566E-02 0.18000000E+05 0.01396619 18.95859532 1.49170723 0.11051344E-02 0.18050000E+05 0.01353560 18.96797152 1.49172605 0.10657277E-02 0.18100000E+05 0.01311754 18.97709881 1.49168794 0.10277598E-02 0.18150000E+05 0.01271171 18.98598316 1.49162172 0.99116210E-03 0.18200000E+05 0.01231781 18.99463046 1.49157176 0.95588766E-03 0.18250000E+05 0.01193553 19.00304648 1.49156787 0.92190314E-03 0.18300000E+05 0.01156458 19.01123686 1.49161409 0.88917005E-03 0.18350000E+05 0.01120466 19.01920714 1.49168279 0.85763657E-03 0.18400000E+05 0.01085549 19.02696274 1.49172577 0.82724775E-03 0.18450000E+05 0.01051679 19.03450895 1.49171357 0.79796085E-03 0.18500000E+05 0.01018829 19.04185096 1.49165873 0.76974721E-03 0.18550000E+05 0.00986970 19.04899380 1.49159741 0.74257798E-03 0.18600000E+05 0.00956076 19.05594236 1.49156606 0.71641011E-03 0.18650000E+05 0.00926122 19.06270142 1.49158672 0.69118814E-03 0.18700000E+05 0.00897081 19.06927562 1.49164870 0.66685957E-03 0.18750000E+05 0.00868928 19.07566946 1.49170849 0.64338861E-03 0.18800000E+05 0.00841639 19.08188733 1.49172553 0.62075623E-03 0.18850000E+05 0.00815190 19.08793347 1.49169273 0.59894975E-03 0.18900000E+05 0.00789556 19.09381203 1.49163168 0.57795194E-03 0.18950000E+05 0.00764715 19.09952701 1.49157954 0.55773628E-03 0.19000000E+05 0.00740645 19.10508229 1.49157307 0.53826793E-03 0.19050000E+05 0.00717322 19.11048165 1.49161940 0.51950811E-03 0.19100000E+05 0.00694726 19.11572874 1.49168441 0.50142000E-03 0.19150000E+05 0.00672835 19.12082708 1.49172295 0.48397305E-03 0.19200000E+05 0.00651629 19.12578011 1.49171327 0.46714305E-03 0.19250000E+05 0.00631087 19.13059117 1.49166261 0.45090904E-03 0.19300000E+05 0.00611191 19.13526351 1.49160293 0.43525190E-03 0.19350000E+05 0.00591920 19.13980025 1.49157685 0.42015671E-03 0.19400000E+05 0.00573257 19.14420444 1.49160376 0.40561428E-03 0.19450000E+05 0.00555182 19.14847899 1.49166138 0.39161653E-03 0.19500000E+05 0.00537679 19.15262668 1.49170884 0.37814768E-03 0.19550000E+05 0.00520729 19.15665021 1.49171841 0.36518016E-03 0.19600000E+05 0.00504317 19.16055215 1.49168522 0.35267990E-03 0.19650000E+05 0.00488426 19.16433501 1.49163039 0.34061628E-03 0.19700000E+05 0.00473039 19.16800117 1.49159368 0.32896792E-03 0.19750000E+05 0.00458142 19.17155294 1.49160136 0.31772180E-03 0.19800000E+05 0.00443719 19.17499255 1.49164394 0.30687028E-03 0.19850000E+05 0.00429756 19.17832214 1.49169071 0.29640963E-03 0.19900000E+05 0.00416238 19.18154377 1.49171402 0.28633782E-03 0.19950000E+05 0.00403151 19.18465950 1.49169932 0.27664895E-03 0.20000000E+05 0.00390483 19.18767131 1.49165524 0.26732768E-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 -0.006161 1.78440 2 0.1554312 -0.018929 1.23877 3 0.1597487 -0.019175 0.71627 4 0.1640662 -0.009312 0.20633 5 0.1683837 0.003404 -0.30077 6 0.1727013 0.011370 -0.80901 7 0.1770188 0.010918 -1.31325 8 0.1813363 0.003919 -1.80207 9 0.1856539 -0.004076 -2.26706 10 0.1899714 -0.007753 -2.70974 11 0.1942889 -0.005376 -3.14016 12 0.1986065 0.000503 2.71327 13 0.2029240 0.005207 2.27956 14 0.2072415 0.005379 1.84901 15 0.2115591 0.001352 1.43447 16 0.2158766 -0.003226 1.04135 17 0.2201941 -0.004380 0.66223 18 0.2245117 -0.001240 0.28381 19 0.2288292 0.003035 -0.10085 20 0.2331467 0.004131 -0.48437 21 0.2374643 0.000926 -0.85251 22 0.2417818 -0.003102 -1.20101 23 0.2460993 -0.003455 -1.54060 24 0.2504169 0.000254 -1.88531 25 0.2547344 0.003583 -2.23651 26 0.2590519 0.002451 -2.57995 27 0.2633695 -0.001697 -2.90381 28 0.2676870 -0.003484 3.06883 29 0.2720045 -0.000550 2.75525 30 0.2763221 0.003127 2.43268 31 0.2806396 0.002467 2.11481 32 0.2849571 -0.001606 1.81645 33 0.2892746 -0.003280 1.53227 34 0.2935922 -0.000151 1.24433 35 0.2979097 0.003115 0.94675 36 0.3022272 0.001592 0.65549 37 0.3065448 -0.002410 0.38479 38 0.3108623 -0.002727 0.12530 39 0.3151798 0.001112 -0.14205 40 0.3194974 0.003004 -0.41770 41 0.3238149 -0.000083 -0.68132 42 0.3281324 -0.003124 -0.92445 43 0.3324500 -0.001123 -1.16406 44 0.3367675 0.002596 -1.41621 45 0.3410850 0.001804 -1.66980 46 0.3454026 -0.002140 -1.90376 47 0.3497201 -0.002488 -2.12298 48 0.3540376 0.001334 -2.35014 49 0.3583552 0.002628 -2.58851 50 0.3626727 -0.000906 -2.81472 51 0.3669902 -0.003027 -3.01959 52 0.3713078 0.000016 3.05893 53 0.3756253 0.002700 2.83890 54 0.3799428 0.000146 2.62179 55 0.3842604 -0.002959 2.42781 56 0.3885779 -0.000907 2.24200 57 0.3928954 0.002459 2.04058 58 0.3972129 0.000848 1.83405 59 0.4015305 -0.002665 1.64960 60 0.4058480 -0.001407 1.47960 61 0.4101655 0.002202 1.29529 62 0.4144831 0.001252 1.09962 63 0.4188006 -0.002365 0.92420 64 0.4231181 -0.001623 0.76800 65 0.4274357 0.001954 0.59872 66 0.4317532 0.001302 0.41345 67 0.4360707 -0.002259 0.24730 68 0.4403883 -0.001673 0.10387 69 0.4447058 0.001791 -0.05275 70 0.4490233 0.001139 -0.22908 71 0.4533409 -0.002265 -0.38555 72 0.4576584 -0.001536 -0.51648 73 0.4619759 0.001747 -0.66260 74 0.4662935 0.000875 -0.83118 75 0.4706110 -0.002226 -0.97654 76 0.4749285 -0.001092 -1.09466 77 0.4792461 0.001916 -1.23300 78 0.4835636 0.000651 -1.39540 79 0.4878811 -0.002049 -1.52801 80 0.4921987 -0.000472 -1.63365 81 0.4965162 0.002030 -1.76807 82 0.5008337 0.000289 -1.92527 83 0.5051512 -0.001835 -2.04260 84 0.5094688 0.000191 -2.13755 85 0.5137863 0.002057 -2.27372 86 0.5181038 -0.000023 -2.42532 87 0.5224214 -0.001362 -2.52437 88 0.5267389 0.001016 -2.61291 89 0.5310564 0.002163 -2.75662 90 0.5353740 -0.000036 -2.89721 91 0.5396915 -0.000451 -2.97444 92 0.5440090 0.002180 -3.06410 93 0.5483266 0.002646 3.06485 ******************************************************************************** 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 0.9946247E+00 0.8762450E-02 0.2113683E+00 1 0.0000000E+00 0.0000000E+00 0.0000000E+00 ************************************ diffraction summed probabilities ************************************ v irot j m probability 0 21 1 -1 0.1905091E-04 0 26 1 0 0.1479504E-03 0 31 1 1 0.2189283E-03 0 13 3 -3 0.1831931E-06 0 17 3 -2 0.1569219E-05 0 22 3 -1 0.1192342E-04 0 27 3 0 0.4295364E-04 0 32 3 1 0.1182597E-02 0 36 3 2 0.4826127E-02 0 40 3 3 0.2793472E-02 0 7 5 -5 0.2513949E-08 0 10 5 -4 0.7016908E-08 0 14 5 -3 0.3502134E-06 0 18 5 -2 0.1414147E-06 0 23 5 -1 0.1503478E-04 0 28 5 0 0.8199316E-04 0 33 5 1 0.4328993E-02 0 37 5 2 0.4550976E-01 0 41 5 3 0.8609308E+00 0 44 5 4 0.7128774E-01 0 47 5 5 0.3219563E-02 0 3 7 -7 0.4601235E-13 0 5 7 -6 0.4947163E-12 0 8 7 -5 0.9007654E-12 0 11 7 -4 0.1697710E-09 0 15 7 -3 0.1414208E-07 0 19 7 -2 0.1221725E-09 0 24 7 -1 0.1106393E-08 0 29 7 0 0.9657459E-08 0 34 7 1 0.1081882E-06 0 38 7 2 0.2069023E-07 0 42 7 3 0.4693861E-05 0 45 7 4 0.5054306E-06 0 48 7 5 0.9007561E-07 0 50 7 6 0.3099473E-07 0 52 7 7 0.4155627E-07 0 1 9 -9 0.0000000E+00 0 2 9 -8 0.0000000E+00 0 4 9 -7 0.0000000E+00 0 6 9 -6 0.0000000E+00 0 9 9 -5 0.0000000E+00 0 12 9 -4 0.0000000E+00 0 16 9 -3 0.0000000E+00 0 20 9 -2 0.0000000E+00 0 25 9 -1 0.0000000E+00 0 30 9 0 0.0000000E+00 0 35 9 1 0.0000000E+00 0 39 9 2 0.0000000E+00 0 43 9 3 0.0000000E+00 0 46 9 4 0.0000000E+00 0 49 9 5 0.0000000E+00 0 51 9 6 0.0000000E+00 0 53 9 7 0.0000000E+00 0 54 9 8 0.0000000E+00 0 55 9 9 0.0000000E+00 1 21 1 -1 0.0000000E+00 1 26 1 0 0.0000000E+00 1 31 1 1 0.0000000E+00 1 13 3 -3 0.0000000E+00 1 17 3 -2 0.0000000E+00 1 22 3 -1 0.0000000E+00 1 27 3 0 0.0000000E+00 1 32 3 1 0.0000000E+00 1 36 3 2 0.0000000E+00 1 40 3 3 0.0000000E+00 1 7 5 -5 0.0000000E+00 1 10 5 -4 0.0000000E+00 1 14 5 -3 0.0000000E+00 1 18 5 -2 0.0000000E+00 1 23 5 -1 0.0000000E+00 1 28 5 0 0.0000000E+00 1 33 5 1 0.0000000E+00 1 37 5 2 0.0000000E+00 1 41 5 3 0.0000000E+00 1 44 5 4 0.0000000E+00 1 47 5 5 0.0000000E+00 1 3 7 -7 0.0000000E+00 1 5 7 -6 0.0000000E+00 1 8 7 -5 0.0000000E+00 1 11 7 -4 0.0000000E+00 1 15 7 -3 0.0000000E+00 1 19 7 -2 0.0000000E+00 1 24 7 -1 0.0000000E+00 1 29 7 0 0.0000000E+00 1 34 7 1 0.0000000E+00 1 38 7 2 0.0000000E+00 1 42 7 3 0.0000000E+00 1 45 7 4 0.0000000E+00 1 48 7 5 0.0000000E+00 1 50 7 6 0.0000000E+00 1 52 7 7 0.0000000E+00 1 1 9 -9 0.0000000E+00 1 2 9 -8 0.0000000E+00 1 4 9 -7 0.0000000E+00 1 6 9 -6 0.0000000E+00 1 9 9 -5 0.0000000E+00 1 12 9 -4 0.0000000E+00 1 16 9 -3 0.0000000E+00 1 20 9 -2 0.0000000E+00 1 25 9 -1 0.0000000E+00 1 30 9 0 0.0000000E+00 1 35 9 1 0.0000000E+00 1 39 9 2 0.0000000E+00 1 43 9 3 0.0000000E+00 1 46 9 4 0.0000000E+00 1 49 9 5 0.0000000E+00 1 51 9 6 0.0000000E+00 1 53 9 7 0.0000000E+00 1 54 9 8 0.0000000E+00 1 55 9 9 0.0000000E+00 ************************************ probabilities as function of diffraction order ************************************ v, j, mj = 0 1 -1 0 0.2561437E-15 1 0.4161510E-06 2 0.8381114E-05 3 0.8000848E-05 4 0.1773077E-05 5 0.2492087E-06 6 0.1885834E-06 7 0.4135565E-07 8 0.5733480E-09 9 0.0000000E+00 v, j, mj = 0 1 0 0 0.6353441E-07 1 0.1784310E-04 2 0.8987902E-04 3 0.3144347E-04 4 0.7728718E-05 5 0.7433423E-06 6 0.2285158E-06 7 0.1985601E-07 8 0.8786085E-09 9 0.0000000E+00 v, j, mj = 0 1 1 0 0.6777478E-15 1 0.1021572E-03 2 0.6870121E-04 3 0.3335224E-04 4 0.1300646E-04 5 0.1630336E-05 6 0.7334648E-07 7 0.7301240E-08 8 0.2456600E-09 9 0.0000000E+00 v, j, mj = 0 3 -3 0 0.4300863E-08 1 0.2480867E-07 2 0.2277968E-07 3 0.5704015E-07 4 0.6434417E-08 5 0.1783301E-07 6 0.4438947E-07 7 0.5606838E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 3 -2 0 0.3181273E-16 1 0.1986130E-06 2 0.6311043E-06 3 0.4975560E-06 4 0.1148516E-06 5 0.4777454E-07 6 0.7026891E-07 7 0.9050186E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 3 -1 0 0.1629134E-15 1 0.1393495E-05 2 0.7511665E-05 3 0.2111317E-05 4 0.6463419E-06 5 0.2041922E-06 6 0.5562371E-07 7 0.7872145E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 3 0 0 0.2447043E-07 1 0.3064992E-05 2 0.1693812E-04 3 0.1794673E-04 4 0.4654582E-05 5 0.2672264E-06 6 0.5217314E-07 7 0.5335869E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 3 1 0 0.7561362E-15 1 0.6538916E-03 2 0.3725125E-03 3 0.1332704E-03 4 0.2193794E-04 5 0.9092305E-06 6 0.5987435E-07 7 0.1567929E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 3 2 0 0.5822081E-16 1 0.1610235E-02 2 0.2282469E-02 3 0.8652958E-03 4 0.6722625E-04 5 0.8245094E-06 6 0.6755731E-07 7 0.8910826E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 3 3 0 0.1052581E-02 1 0.1051186E-02 2 0.1715071E-03 3 0.4274848E-03 4 0.8859795E-04 5 0.2090701E-05 6 0.1765878E-07 7 0.6658866E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 -5 0 0.4480610E-16 1 0.1842209E-09 2 0.3808058E-10 3 0.8764409E-10 4 0.8312651E-09 5 0.1372738E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 -4 0 0.1962693E-16 1 0.2977227E-08 2 0.2656481E-08 3 0.3944422E-09 4 0.4794438E-09 5 0.5093138E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 -3 0 0.5956532E-07 1 0.2747955E-07 2 0.1705234E-06 3 0.1803789E-07 4 0.5980095E-07 5 0.1480630E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 -2 0 0.2591614E-16 1 0.3903007E-07 2 0.5942075E-07 3 0.1500293E-07 4 0.2056672E-07 5 0.7394193E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 -1 0 0.7573850E-16 1 0.3777702E-05 2 0.8139616E-05 3 0.1281628E-05 4 0.1691461E-05 5 0.1443715E-06 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 0 0 0.1947535E-06 1 0.2241326E-04 2 0.4893974E-04 3 0.9487779E-05 4 0.8577645E-06 5 0.9986778E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 1 0 0.1259423E-16 1 0.2673966E-02 2 0.1534892E-02 3 0.1129397E-03 4 0.7021211E-05 5 0.1739258E-06 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 2 0 0.3855314E-16 1 0.3097755E-01 2 0.1376796E-01 3 0.7566738E-03 4 0.7502734E-05 5 0.7089624E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 3 0 0.2957048E+00 1 0.4777143E+00 2 0.8544500E-01 3 0.2050037E-02 4 0.1642440E-04 5 0.2915829E-06 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 4 0 0.3110625E-16 1 0.3617072E-01 2 0.3224908E-01 3 0.2834409E-02 4 0.3335734E-04 5 0.1714511E-06 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 5 0 0.2933457E-16 1 0.3554059E-03 2 0.2342129E-02 3 0.5040071E-03 4 0.1780042E-04 5 0.2203651E-06 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -7 0 0.6003470E-16 1 0.4530476E-13 2 0.6475529E-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 0.3520837E-15 1 0.3767155E-12 2 0.1176487E-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 7 -5 0 0.9759703E-16 1 0.6949006E-12 2 0.2057672E-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 7 -4 0 0.8858434E-18 1 0.1632530E-09 2 0.6517994E-11 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -3 0 0.6720357E-08 1 0.7304241E-08 2 0.1174827E-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 0.5350339E-17 1 0.1116399E-09 2 0.1053259E-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 0.2376526E-16 1 0.9152405E-09 2 0.1911521E-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 0 0 0.4185821E-09 1 0.8233677E-08 2 0.1005199E-08 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 1 0 0.5436472E-17 1 0.9843409E-07 2 0.9754122E-08 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 2 0 0.9426940E-18 1 0.1077382E-07 2 0.9916411E-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 0.2931146E-05 1 0.1665800E-05 2 0.9691423E-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 0.5379169E-17 1 0.4952807E-06 2 0.1014992E-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 0.5029820E-17 1 0.6993217E-07 2 0.2014344E-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 0.2701150E-08 1 0.2612203E-07 2 0.2171557E-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 7 0 0.8949474E-16 1 0.4060553E-07 2 0.9507316E-09 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 sum of the probabilities = 0.9946247 average vibrational energy (ev) = 0.000000 average rotational energy (ev) = 0.211368 average diffraction energy (ev) = 0.008762 the reaction probability = 0.5375316D-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 0.1002076E+01 0.1384025E-01 0.2097586E+00 1 0.0000000E+00 0.0000000E+00 0.0000000E+00 ************************************ diffraction summed probabilities ************************************ v irot j m probability 0 21 1 -1 0.8908675E-04 0 26 1 0 0.5337660E-03 0 31 1 1 0.6553150E-03 0 13 3 -3 0.5841647E-06 0 17 3 -2 0.1164268E-04 0 22 3 -1 0.8067801E-04 0 27 3 0 0.2829252E-03 0 32 3 1 0.3884377E-02 0 36 3 2 0.9831617E-02 0 40 3 3 0.6365465E-02 0 7 5 -5 0.4326698E-08 0 10 5 -4 0.1055019E-07 0 14 5 -3 0.4639395E-06 0 18 5 -2 0.5224745E-06 0 23 5 -1 0.4012377E-04 0 28 5 0 0.4363694E-03 0 33 5 1 0.9315873E-02 0 37 5 2 0.9304482E-01 0 41 5 3 0.7194236E+00 0 44 5 4 0.1442633E+00 0 47 5 5 0.1369291E-01 0 3 7 -7 0.3964907E-11 0 5 7 -6 0.2455262E-10 0 8 7 -5 0.1398930E-09 0 11 7 -4 0.4951986E-08 0 15 7 -3 0.1921674E-07 0 19 7 -2 0.5885288E-08 0 24 7 -1 0.1794833E-06 0 29 7 0 0.1868704E-06 0 34 7 1 0.9027842E-06 0 38 7 2 0.1261931E-04 0 42 7 3 0.8912710E-04 0 45 7 4 0.9125491E-05 0 48 7 5 0.9142295E-05 0 50 7 6 0.3327213E-06 0 52 7 7 0.8793736E-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 0.3884303E-14 1 0.3292469E-05 2 0.4656134E-04 3 0.3049935E-04 4 0.7388367E-05 5 0.1125250E-05 6 0.1798103E-06 7 0.3279382E-07 8 0.7370719E-08 9 0.0000000E+00 v, j, mj = 0 1 0 0 0.1436281E-06 1 0.5708573E-04 2 0.3803755E-03 3 0.7990617E-04 4 0.1451024E-04 5 0.1534016E-05 6 0.1745836E-06 7 0.2782051E-07 8 0.8298663E-08 9 0.0000000E+00 v, j, mj = 0 1 1 0 0.4652498E-14 1 0.3993630E-03 2 0.1735140E-03 3 0.4859985E-04 4 0.2797684E-04 5 0.5543254E-05 6 0.2959808E-06 7 0.1227035E-07 8 0.9863086E-08 9 0.0000000E+00 v, j, mj = 0 3 -3 0 0.5457649E-08 1 0.2801368E-07 2 0.1183407E-06 3 0.2977873E-06 4 0.6015509E-07 5 0.2727967E-07 6 0.2690384E-07 7 0.2022681E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 3 -2 0 0.3552128E-15 1 0.4298526E-06 2 0.5151111E-05 3 0.5395811E-05 4 0.5305421E-06 5 0.6571031E-07 6 0.4477466E-07 7 0.2487647E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 3 -1 0 0.5470341E-14 1 0.6186007E-05 2 0.4730389E-04 3 0.2319802E-04 4 0.3749413E-05 5 0.1763037E-06 6 0.5342700E-07 7 0.1094573E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 3 0 0 0.5302861E-07 1 0.1716930E-04 2 0.1096932E-03 3 0.1278927E-03 4 0.2652245E-04 5 0.1521025E-05 6 0.5177196E-07 7 0.2167385E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 3 1 0 0.1734002E-13 1 0.1852207E-02 2 0.1296437E-02 3 0.6227965E-03 4 0.1083566E-03 5 0.4520485E-05 6 0.5216536E-07 7 0.7068729E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 3 2 0 0.2677830E-15 1 0.2462076E-02 2 0.4477996E-02 3 0.2555996E-02 4 0.3252687E-03 5 0.1011442E-04 6 0.1081496E-06 7 0.5840467E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 3 3 0 0.1211879E-02 1 0.3975614E-02 2 0.6924653E-03 3 0.2490186E-03 4 0.2199694E-03 5 0.1635995E-04 6 0.1359446E-06 7 0.2276019E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 -5 0 0.4280300E-16 1 0.5828738E-09 2 0.1042388E-09 3 0.4308203E-09 4 0.6932144E-09 5 0.1359971E-08 6 0.1155580E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 -4 0 0.8192519E-16 1 0.5822431E-09 2 0.2578471E-08 3 0.1553731E-08 4 0.1100157E-08 5 0.3522325E-08 6 0.1213267E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 -3 0 0.4657142E-07 1 0.2431223E-07 2 0.2480018E-06 3 0.8225874E-07 4 0.5166961E-07 5 0.9664096E-08 6 0.1461573E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 -2 0 0.1508481E-15 1 0.1385709E-06 2 0.2738124E-06 3 0.5007387E-07 4 0.2574660E-07 5 0.2776529E-07 6 0.6505407E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 -1 0 0.5011386E-15 1 0.8936729E-05 2 0.2323199E-04 3 0.5969423E-05 4 0.1931289E-05 5 0.4807576E-07 6 0.6259401E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 0 0 0.3075012E-06 1 0.9128492E-04 2 0.2729061E-03 3 0.6836868E-04 4 0.3010391E-05 5 0.4418408E-06 6 0.4993978E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 1 0 0.2412212E-14 1 0.3913629E-02 2 0.4704221E-02 3 0.6745997E-03 4 0.2336300E-04 5 0.4532778E-07 6 0.1369641E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 2 0 0.8678493E-16 1 0.5410419E-01 2 0.3589110E-01 3 0.3001011E-02 4 0.4823468E-04 5 0.2773814E-06 6 0.1060037E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 3 0 0.1677202E+00 1 0.4200872E+00 2 0.1264767E+00 3 0.5029146E-02 4 0.1094221E-03 5 0.7374375E-06 6 0.1845046E-06 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 4 0 0.4944700E-16 1 0.3958088E-01 2 0.8770839E-01 3 0.1650070E-01 4 0.4709690E-03 5 0.2323692E-05 6 0.1420206E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 5 0 0.1331541E-14 1 0.1325931E-03 2 0.8293027E-02 3 0.4946248E-02 4 0.3195690E-03 5 0.1432428E-05 6 0.4442707E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -7 0 0.2933382E-16 1 0.5586655E-12 2 0.1986633E-11 3 0.1419579E-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 -6 0 0.1027839E-11 1 0.1470326E-10 2 0.4283663E-11 3 0.4537858E-11 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -5 0 0.4701160E-16 1 0.7873946E-10 2 0.2638787E-10 3 0.3476561E-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 -4 0 0.6235457E-17 1 0.3832984E-09 2 0.4334059E-08 3 0.2346281E-09 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -3 0 0.8548647E-08 1 0.9371040E-08 2 0.4728353E-09 3 0.8242223E-09 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -2 0 0.9602689E-17 1 0.3519995E-09 2 0.2270191E-08 3 0.3263097E-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 0.1713039E-16 1 0.1242260E-06 2 0.1543777E-07 3 0.3981959E-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 0 0 0.5018854E-08 1 0.6843662E-07 2 0.5323597E-07 3 0.6017893E-07 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 1 0 0.2848231E-16 1 0.2135725E-06 2 0.2851050E-06 3 0.4041066E-06 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 2 0 0.1224299E-16 1 0.8638504E-05 2 0.3562490E-05 3 0.4183182E-06 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 3 0 0.4469531E-04 1 0.3725340E-04 2 0.6772873E-05 3 0.4055101E-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 0.7611964E-17 1 0.6246690E-05 2 0.2376673E-05 3 0.5021276E-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 0.5655304E-16 1 0.7258521E-05 2 0.1682741E-05 3 0.2010322E-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 0.4950905E-08 1 0.8573566E-07 2 0.2325622E-06 3 0.9472543E-08 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 7 0 0.6722504E-16 1 0.6133757E-06 2 0.1605426E-06 3 0.1054553E-06 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 sum of the probabilities = 1.0020759 average vibrational energy (ev) = 0.000000 average rotational energy (ev) = 0.209759 average diffraction energy (ev) = 0.013840 the reaction probability = -0.2075934D-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 0.9983766E+00 0.2048706E-01 0.2074069E+00 1 0.1378649E-08 0.8185428E-02 0.1447186E-01 ************************************ diffraction summed probabilities ************************************ v irot j m probability 0 21 1 -1 0.2661421E-03 0 26 1 0 0.1382472E-02 0 31 1 1 0.1721988E-02 0 13 3 -3 0.4076529E-05 0 17 3 -2 0.7526244E-04 0 22 3 -1 0.4211326E-03 0 27 3 0 0.1205974E-02 0 32 3 1 0.8855371E-02 0 36 3 2 0.1578403E-01 0 40 3 3 0.1014012E-01 0 7 5 -5 0.1248779E-07 0 10 5 -4 0.4906037E-07 0 14 5 -3 0.1265357E-05 0 18 5 -2 0.3900825E-05 0 23 5 -1 0.1508182E-03 0 28 5 0 0.1905469E-02 0 33 5 1 0.2064191E-01 0 37 5 2 0.1495264E+00 0 41 5 3 0.5180164E+00 0 44 5 4 0.2154310E+00 0 47 5 5 0.5213774E-01 0 3 7 -7 0.5221047E-10 0 5 7 -6 0.9143719E-10 0 8 7 -5 0.5187935E-09 0 11 7 -4 0.7713404E-08 0 15 7 -3 0.4790445E-07 0 19 7 -2 0.2571868E-07 0 24 7 -1 0.1537337E-06 0 29 7 0 0.1508335E-05 0 34 7 1 0.1532975E-04 0 38 7 2 0.8678638E-04 0 42 7 3 0.4721843E-03 0 45 7 4 0.1143159E-03 0 48 7 5 0.1210279E-04 0 50 7 6 0.1360958E-05 0 52 7 7 0.1277800E-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 0.3547946E-11 1 26 1 0 0.5128260E-09 1 31 1 1 0.8622747E-09 1 13 3 -3 0.0000000E+00 1 17 3 -2 0.0000000E+00 1 22 3 -1 0.0000000E+00 1 27 3 0 0.0000000E+00 1 32 3 1 0.0000000E+00 1 36 3 2 0.0000000E+00 1 40 3 3 0.0000000E+00 1 7 5 -5 0.0000000E+00 1 10 5 -4 0.0000000E+00 1 14 5 -3 0.0000000E+00 1 18 5 -2 0.0000000E+00 1 23 5 -1 0.0000000E+00 1 28 5 0 0.0000000E+00 1 33 5 1 0.0000000E+00 1 37 5 2 0.0000000E+00 1 41 5 3 0.0000000E+00 1 44 5 4 0.0000000E+00 1 47 5 5 0.0000000E+00 1 3 7 -7 0.0000000E+00 1 5 7 -6 0.0000000E+00 1 8 7 -5 0.0000000E+00 1 11 7 -4 0.0000000E+00 1 15 7 -3 0.0000000E+00 1 19 7 -2 0.0000000E+00 1 24 7 -1 0.0000000E+00 1 29 7 0 0.0000000E+00 1 34 7 1 0.0000000E+00 1 38 7 2 0.0000000E+00 1 42 7 3 0.0000000E+00 1 45 7 4 0.0000000E+00 1 48 7 5 0.0000000E+00 1 50 7 6 0.0000000E+00 1 52 7 7 0.0000000E+00 1 1 9 -9 0.0000000E+00 1 2 9 -8 0.0000000E+00 1 4 9 -7 0.0000000E+00 1 6 9 -6 0.0000000E+00 1 9 9 -5 0.0000000E+00 1 12 9 -4 0.0000000E+00 1 16 9 -3 0.0000000E+00 1 20 9 -2 0.0000000E+00 1 25 9 -1 0.0000000E+00 1 30 9 0 0.0000000E+00 1 35 9 1 0.0000000E+00 1 39 9 2 0.0000000E+00 1 43 9 3 0.0000000E+00 1 46 9 4 0.0000000E+00 1 49 9 5 0.0000000E+00 1 51 9 6 0.0000000E+00 1 53 9 7 0.0000000E+00 1 54 9 8 0.0000000E+00 1 55 9 9 0.0000000E+00 ************************************ probabilities as function of diffraction order ************************************ v, j, mj = 0 1 -1 0 0.2502444E-13 1 0.1951599E-04 2 0.1745116E-03 3 0.5205031E-04 4 0.1630428E-04 5 0.3482839E-05 6 0.2106183E-06 7 0.5054469E-07 8 0.1326700E-07 9 0.2618438E-08 v, j, mj = 0 1 0 0 0.4776312E-06 1 0.1722681E-03 2 0.1092600E-02 3 0.9154079E-04 4 0.2256364E-04 5 0.2775203E-05 6 0.1742216E-06 7 0.5619995E-07 8 0.1606212E-07 9 0.4395706E-09 v, j, mj = 0 1 1 0 0.5831332E-13 1 0.1209520E-02 2 0.3694185E-03 3 0.1005393E-03 4 0.2377344E-04 5 0.1715914E-04 6 0.1498498E-05 7 0.4530579E-07 8 0.3335419E-07 9 0.3752471E-09 v, j, mj = 0 3 -3 0 0.5716646E-07 1 0.2066654E-07 2 0.8530390E-06 3 0.2193851E-05 4 0.7812336E-06 5 0.7230782E-07 6 0.4805863E-07 7 0.2158071E-07 8 0.2862609E-07 9 0.0000000E+00 v, j, mj = 0 3 -2 0 0.3408104E-14 1 0.1152115E-05 2 0.3360413E-04 3 0.3707165E-04 4 0.3189128E-05 5 0.1591613E-06 6 0.5603386E-07 7 0.2562236E-07 8 0.4604227E-08 9 0.0000000E+00 v, j, mj = 0 3 -1 0 0.8475622E-13 1 0.2583235E-04 2 0.2352984E-03 3 0.1380209E-03 4 0.2045239E-04 5 0.1410636E-05 6 0.8570389E-07 7 0.1382449E-07 8 0.1839121E-07 9 0.0000000E+00 v, j, mj = 0 3 0 0 0.3685441E-07 1 0.7646241E-04 2 0.4905839E-03 3 0.5367937E-03 4 0.9584439E-04 5 0.6181743E-05 6 0.4500804E-07 7 0.2104196E-07 8 0.5261744E-08 9 0.0000000E+00 v, j, mj = 0 3 1 0 0.1749252E-12 1 0.4020296E-02 2 0.2731551E-02 3 0.1751363E-02 4 0.3332292E-03 5 0.1849340E-04 6 0.4034088E-06 7 0.2283242E-07 8 0.1297153E-07 9 0.0000000E+00 v, j, mj = 0 3 2 0 0.2165905E-14 1 0.5130984E-02 2 0.4965085E-02 3 0.4810686E-02 4 0.8344415E-03 5 0.4198469E-04 6 0.7897720E-06 7 0.5112759E-07 8 0.4581849E-08 9 0.0000000E+00 v, j, mj = 0 3 3 0 0.9746419E-03 1 0.7051398E-02 2 0.1853410E-02 3 0.8471693E-04 4 0.1309617E-03 5 0.4370484E-04 6 0.1245356E-05 7 0.2623409E-07 8 0.1321991E-07 9 0.0000000E+00 v, j, mj = 0 5 -5 0 0.3578700E-15 1 0.6255335E-09 2 0.2260839E-09 3 0.2703249E-08 4 0.9529727E-09 5 0.1871672E-08 6 0.5056758E-08 7 0.1051522E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 -4 0 0.1136599E-14 1 0.2262627E-07 2 0.1979823E-08 3 0.7623452E-08 4 0.4447737E-08 5 0.9114003E-08 6 0.3193247E-08 7 0.7584484E-10 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 -3 0 0.2656307E-06 1 0.6888973E-07 2 0.4816666E-06 3 0.4050975E-06 4 0.3108977E-07 5 0.6613615E-08 6 0.5977536E-08 7 0.3918755E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 -2 0 0.1276571E-14 1 0.3110673E-06 2 0.1964046E-05 3 0.1408264E-05 4 0.1865270E-06 5 0.2100082E-07 6 0.7853311E-08 7 0.2066293E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 -1 0 0.1355193E-13 1 0.2039415E-04 2 0.8890281E-04 3 0.3650976E-04 4 0.4908654E-05 5 0.8900881E-07 6 0.1309325E-07 7 0.6982050E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 0 0 0.5384742E-06 1 0.3377117E-03 2 0.1209515E-02 3 0.3387789E-03 4 0.1834630E-04 5 0.5076387E-06 6 0.6692675E-07 7 0.3836324E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 1 0 0.6806974E-13 1 0.6024472E-02 2 0.1226404E-01 3 0.2259299E-02 4 0.9355746E-04 5 0.4854345E-06 6 0.5283561E-07 7 0.1475540E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 2 0 0.8420397E-15 1 0.7809242E-01 2 0.6462671E-01 3 0.6649977E-02 4 0.1567521E-03 5 0.4782373E-06 6 0.5937577E-07 7 0.3570805E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 3 0 0.1100216E+00 1 0.2906284E+00 2 0.1108298E+00 3 0.5987357E-02 4 0.5367373E-03 5 0.1212706E-04 6 0.4123465E-06 7 0.5111143E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 4 0 0.2265508E-14 1 0.2481496E-01 2 0.1370587E+00 3 0.5053064E-01 4 0.2999195E-02 5 0.2745169E-04 6 0.7056701E-07 7 0.1448502E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 5 0 0.2886361E-13 1 0.8255058E-03 2 0.1893578E-01 3 0.2784840E-01 4 0.4442044E-02 5 0.8567093E-04 6 0.3337782E-06 7 0.1025835E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -7 0 0.3382852E-18 1 0.3751842E-11 2 0.1125677E-10 3 0.1308024E-10 4 0.2412162E-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 -6 0 0.1954578E-11 1 0.2430864E-10 2 0.1474272E-10 3 0.1445158E-10 4 0.3597968E-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 -5 0 0.1553402E-16 1 0.7465634E-10 2 0.1807942E-09 3 0.1678880E-09 4 0.9545497E-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 0.1639529E-16 1 0.2650686E-09 2 0.3449829E-08 3 0.3004202E-08 4 0.9943041E-09 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -3 0 0.2589454E-08 1 0.1158915E-07 2 0.2993140E-07 3 0.2605198E-08 4 0.1189236E-08 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -2 0 0.9583638E-17 1 0.9293299E-09 2 0.6756547E-08 3 0.4521016E-08 4 0.1351178E-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 0.2461924E-16 1 0.1910064E-08 2 0.1052913E-06 3 0.2451645E-07 4 0.2201589E-07 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 0 0 0.1723260E-07 1 0.5993888E-06 2 0.6303211E-06 3 0.1153833E-06 4 0.1460090E-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 1 0 0.2330831E-15 1 0.9442992E-05 2 0.4554918E-05 3 0.1134654E-05 4 0.1971865E-06 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 2 0 0.4540139E-17 1 0.5818375E-04 2 0.2649654E-04 3 0.1971208E-05 4 0.1348860E-06 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 3 0 0.2111286E-03 1 0.2191295E-03 2 0.4155148E-04 3 0.3003239E-06 4 0.7443234E-07 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 4 0 0.1561008E-17 1 0.7456257E-04 2 0.3457222E-04 3 0.5030697E-05 4 0.1503838E-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 0.7946985E-16 1 0.1013471E-04 2 0.1332678E-05 3 0.2598811E-06 4 0.3755178E-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 0.6831170E-07 1 0.6085595E-06 2 0.3952578E-06 3 0.1496289E-06 4 0.1392005E-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 0.3134079E-16 1 0.2984268E-06 2 0.4959552E-06 3 0.3131119E-06 4 0.1703060E-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 0.4810493E-18 1 0.3547946E-11 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 0.9002154E-11 1 0.5038238E-09 2 0.0000000E+00 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 1 1 0 0.5852285E-17 1 0.8622747E-09 2 0.0000000E+00 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 sum of the probabilities = 0.9983766 average vibrational energy (ev) = 0.000000 average rotational energy (ev) = 0.207407 average diffraction energy (ev) = 0.020487 the reaction probability = 0.1623356D-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 0.9990424E+00 0.2808676E-01 0.2045378E+00 1 0.3678913E-07 0.2710343E-01 0.1456916E-01 ************************************ diffraction summed probabilities ************************************ v irot j m probability 0 21 1 -1 0.5985608E-03 0 26 1 0 0.2735465E-02 0 31 1 1 0.3854179E-02 0 13 3 -3 0.2713396E-04 0 17 3 -2 0.3410115E-03 0 22 3 -1 0.1530805E-02 0 27 3 0 0.3362471E-02 0 32 3 1 0.1430759E-01 0 36 3 2 0.2333059E-01 0 40 3 3 0.1299759E-01 0 7 5 -5 0.2436151E-07 0 10 5 -4 0.4877568E-06 0 14 5 -3 0.6569678E-05 0 18 5 -2 0.3843346E-04 0 23 5 -1 0.6205952E-03 0 28 5 0 0.6425874E-02 0 33 5 1 0.4159258E-01 0 37 5 2 0.1820500E+00 0 41 5 3 0.3431097E+00 0 44 5 4 0.2359012E+00 0 47 5 5 0.1235841E+00 0 3 7 -7 0.3030101E-09 0 5 7 -6 0.5651762E-09 0 8 7 -5 0.1319232E-08 0 11 7 -4 0.1329295E-07 0 15 7 -3 0.4559108E-07 0 19 7 -2 0.8992560E-07 0 24 7 -1 0.1456769E-05 0 29 7 0 0.1300679E-04 0 34 7 1 0.1211619E-03 0 38 7 2 0.4147774E-03 0 42 7 3 0.1528431E-02 0 45 7 4 0.4893012E-03 0 48 7 5 0.5434118E-04 0 50 7 6 0.2938728E-05 0 52 7 7 0.1834662E-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 0.5314505E-08 1 26 1 0 0.1201926E-07 1 31 1 1 0.1940545E-07 1 13 3 -3 0.3343688E-13 1 17 3 -2 0.1479130E-18 1 22 3 -1 0.4552320E-18 1 27 3 0 0.1683663E-12 1 32 3 1 0.1452691E-17 1 36 3 2 0.2467352E-18 1 40 3 3 0.4972082E-10 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 0.6330297E-13 1 0.7771690E-04 2 0.4670320E-03 3 0.2455153E-04 4 0.2174371E-04 5 0.6772559E-05 6 0.6759383E-06 7 0.5413860E-07 8 0.9919723E-08 9 0.4020961E-08 v, j, mj = 0 1 0 0 0.1267123E-05 1 0.4282198E-03 2 0.2178408E-02 3 0.9159189E-04 4 0.3081892E-04 5 0.4792263E-05 6 0.2799224E-06 7 0.7101739E-07 8 0.1492890E-07 9 0.1430684E-08 v, j, mj = 0 1 1 0 0.5953934E-12 1 0.2551949E-02 2 0.7577090E-03 3 0.4675519E-03 4 0.3289910E-04 5 0.3510864E-04 6 0.8517618E-05 7 0.3984524E-06 8 0.4202724E-07 9 0.3430523E-08 v, j, mj = 0 3 -3 0 0.1094064E-05 1 0.1679062E-06 2 0.5383349E-05 3 0.1481138E-04 4 0.5267435E-05 5 0.3188998E-06 6 0.5787278E-07 7 0.2316552E-07 8 0.9701735E-08 9 0.1860920E-09 v, j, mj = 0 3 -2 0 0.1131572E-13 1 0.4662379E-05 2 0.1662086E-03 3 0.1611557E-03 4 0.8531237E-05 5 0.3599271E-06 6 0.6606227E-07 7 0.1403326E-07 8 0.1351598E-07 9 0.3276015E-10 v, j, mj = 0 3 -1 0 0.7169680E-12 1 0.9148688E-04 2 0.9336082E-03 3 0.4528135E-03 4 0.4797740E-04 5 0.4732317E-05 6 0.1601915E-06 7 0.2023353E-07 8 0.6622764E-08 9 0.4044029E-10 v, j, mj = 0 3 0 0 0.2811747E-07 1 0.2809542E-03 2 0.1547624E-02 3 0.1313090E-02 4 0.2059210E-03 5 0.1463219E-04 6 0.2053567E-06 7 0.1100168E-07 8 0.4749718E-08 9 0.1539532E-09 v, j, mj = 0 3 1 0 0.8826328E-12 1 0.6675673E-02 2 0.3550976E-02 3 0.3345522E-02 4 0.6814026E-03 5 0.5156889E-04 6 0.2346249E-05 7 0.8710375E-07 8 0.1816296E-07 9 0.9715448E-10 v, j, mj = 0 3 2 0 0.1387393E-13 1 0.1208028E-01 2 0.3450112E-02 3 0.6397358E-02 4 0.1324373E-02 5 0.7679567E-04 6 0.1634999E-05 7 0.2135358E-07 8 0.2045603E-07 9 0.1565819E-10 v, j, mj = 0 3 3 0 0.7152484E-03 1 0.9324950E-02 2 0.1835559E-02 3 0.4406234E-03 4 0.3863963E-03 5 0.2731931E-03 6 0.2135807E-04 7 0.2195061E-06 8 0.3748160E-07 9 0.3708099E-10 v, j, mj = 0 5 -5 0 0.1237259E-14 1 0.4347369E-08 2 0.5130850E-08 3 0.3026186E-08 4 0.3569704E-08 5 0.2098595E-08 6 0.4373711E-08 7 0.1815099E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 -4 0 0.5105489E-14 1 0.3080816E-06 2 0.3724518E-07 3 0.8605986E-07 4 0.2733618E-07 5 0.1937560E-07 6 0.8133794E-08 7 0.1524535E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 -3 0 0.1539394E-05 1 0.1494344E-06 2 0.1875410E-05 3 0.2857842E-05 4 0.1301136E-06 5 0.1001567E-07 6 0.6588124E-08 7 0.8798090E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 -2 0 0.8448406E-14 1 0.7291961E-06 2 0.1686717E-04 3 0.1881860E-04 4 0.1928972E-05 5 0.7383030E-07 6 0.1189796E-07 7 0.3797785E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 -1 0 0.1926420E-12 1 0.4924416E-04 2 0.3685409E-03 3 0.1834668E-03 4 0.1894009E-04 5 0.3827411E-06 6 0.1342974E-07 7 0.7182301E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 0 0 0.1126843E-05 1 0.1108793E-02 2 0.4124024E-02 3 0.1121433E-02 4 0.6912831E-04 5 0.1277251E-05 6 0.8216273E-07 7 0.1011829E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 1 0 0.8750602E-12 1 0.1118376E-01 2 0.2553049E-01 3 0.4660615E-02 4 0.2156578E-03 5 0.1972136E-05 6 0.7272886E-07 7 0.1002251E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 2 0 0.2803642E-14 1 0.9088126E-01 2 0.8305385E-01 3 0.7816682E-02 4 0.2919761E-03 5 0.6113394E-05 6 0.1268593E-06 7 0.9097295E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 3 0 0.9076547E-01 1 0.1843969E+00 2 0.5799476E-01 3 0.7735199E-02 4 0.2121905E-02 5 0.9423172E-04 6 0.1211190E-05 7 0.1987500E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 4 0 0.9320792E-14 1 0.1257163E-01 2 0.1415137E+00 3 0.7345140E-01 4 0.8199540E-02 5 0.1641160E-03 6 0.7586263E-06 7 0.3876911E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 5 0 0.3533985E-12 1 0.8022319E-03 2 0.2477985E-01 3 0.7068973E-01 4 0.2587925E-01 5 0.1422570E-02 6 0.1039086E-04 7 0.2483303E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -7 0 0.1097114E-16 1 0.5465311E-11 2 0.4002656E-10 3 0.8850933E-10 4 0.6335511E-10 5 0.1056538E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -6 0 0.3463370E-13 1 0.1632839E-09 2 0.7017491E-10 3 0.1644174E-09 4 0.1374043E-09 5 0.2986102E-10 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -5 0 0.1413498E-16 1 0.7918591E-10 2 0.3744613E-09 3 0.4177866E-09 4 0.2815247E-09 5 0.1662731E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -4 0 0.1002936E-15 1 0.2467892E-08 2 0.4839634E-08 3 0.4312736E-08 4 0.1221493E-08 5 0.4511916E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -3 0 0.4311588E-08 1 0.1628421E-07 2 0.8410652E-08 3 0.1239073E-07 4 0.2142694E-08 5 0.2051214E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -2 0 0.5120734E-16 1 0.6452923E-09 2 0.3423401E-07 3 0.3507465E-07 4 0.1083822E-07 5 0.9133421E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -1 0 0.4526910E-15 1 0.1820312E-06 2 0.8292170E-06 3 0.3765385E-06 4 0.4219736E-07 5 0.2678532E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 0 0 0.2421592E-07 1 0.2838141E-05 2 0.8281505E-05 3 0.1688840E-05 4 0.1357331E-06 5 0.3835383E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 1 0 0.4565460E-14 1 0.5659292E-04 2 0.5615202E-04 3 0.7906139E-05 4 0.4651303E-06 5 0.4565092E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 2 0 0.4464869E-16 1 0.2523665E-03 2 0.1492187E-03 3 0.1301291E-04 4 0.1519881E-06 5 0.2729136E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 3 0 0.6834964E-03 1 0.6613072E-03 2 0.1760641E-03 3 0.7211118E-05 4 0.3039940E-06 5 0.4845461E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 4 0 0.5634398E-16 1 0.3069782E-03 2 0.1679851E-03 3 0.1403774E-04 4 0.2750361E-06 5 0.2512860E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 5 0 0.1099682E-14 1 0.3427545E-04 2 0.1269930E-04 3 0.6414133E-05 4 0.8662959E-06 5 0.8599544E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 6 0 0.9942043E-07 1 0.1899971E-05 2 0.4870655E-06 3 0.2809441E-06 4 0.1403992E-06 5 0.3092848E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 7 0 0.2101418E-14 1 0.7378508E-07 2 0.5614638E-06 3 0.7063712E-06 4 0.4209971E-06 5 0.7204442E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 1 -1 0 0.2273532E-17 1 0.1844627E-08 2 0.3039743E-08 3 0.4301354E-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 0.5627959E-09 1 0.1266904E-08 2 0.8808029E-08 3 0.1381528E-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 0.4061474E-16 1 0.4215195E-08 2 0.1318068E-07 3 0.2009571E-08 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 sum of the probabilities = 0.9990424 average vibrational energy (ev) = 0.000000 average rotational energy (ev) = 0.204538 average diffraction energy (ev) = 0.028087 the reaction probability = 0.9575833D-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 0.1001965E+01 0.3594380E-01 0.2014615E+00 1 0.3473139E-06 0.2726657E-01 0.5294114E-01 ************************************ diffraction summed probabilities ************************************ v irot j m probability 0 21 1 -1 0.1111027E-02 0 26 1 0 0.4651852E-02 0 31 1 1 0.7104832E-02 0 13 3 -3 0.1208731E-03 0 17 3 -2 0.1116816E-02 0 22 3 -1 0.4013913E-02 0 27 3 0 0.6270071E-02 0 32 3 1 0.1687256E-01 0 36 3 2 0.3331179E-01 0 40 3 3 0.1644966E-01 0 7 5 -5 0.2014632E-06 0 10 5 -4 0.3550613E-05 0 14 5 -3 0.4206891E-04 0 18 5 -2 0.2606362E-03 0 23 5 -1 0.2264346E-02 0 28 5 0 0.1652566E-01 0 33 5 1 0.6847118E-01 0 37 5 2 0.1685898E+00 0 41 5 3 0.2364597E+00 0 44 5 4 0.2103416E+00 0 47 5 5 0.2006470E+00 0 3 7 -7 0.7903975E-09 0 5 7 -6 0.2107662E-08 0 8 7 -5 0.4946366E-08 0 11 7 -4 0.4033898E-07 0 15 7 -3 0.1572492E-06 0 19 7 -2 0.8547533E-06 0 24 7 -1 0.1462940E-04 0 29 7 0 0.1068203E-03 0 34 7 1 0.5279765E-03 0 38 7 2 0.1265750E-02 0 42 7 3 0.3902760E-02 0 45 7 4 0.1289890E-02 0 48 7 5 0.2121769E-03 0 50 7 6 0.1146377E-04 0 52 7 7 0.2449110E-05 0 1 9 -9 0.5195194E-12 0 2 9 -8 0.7308169E-12 0 4 9 -7 0.2461913E-11 0 6 9 -6 0.1804457E-11 0 9 9 -5 0.2342013E-10 0 12 9 -4 0.7489356E-10 0 16 9 -3 0.2467660E-09 0 20 9 -2 0.4918165E-09 0 25 9 -1 0.2784444E-08 0 30 9 0 0.1694564E-07 0 35 9 1 0.1210399E-07 0 39 9 2 0.8809886E-07 0 43 9 3 0.2261202E-06 0 46 9 4 0.8546478E-07 0 49 9 5 0.1039097E-06 0 51 9 6 0.8311164E-08 0 53 9 7 0.3304140E-07 0 54 9 8 0.2601457E-07 0 55 9 9 0.1793960E-07 1 21 1 -1 0.2105091E-07 1 26 1 0 0.3976464E-07 1 31 1 1 0.1001627E-06 1 13 3 -3 0.1419996E-08 1 17 3 -2 0.1973660E-08 1 22 3 -1 0.1411192E-07 1 27 3 0 0.6775646E-08 1 32 3 1 0.1822691E-07 1 36 3 2 0.4544339E-07 1 40 3 3 0.9838418E-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 0.6324050E-13 1 0.1250105E-03 2 0.7416606E-03 3 0.1895045E-03 4 0.4626765E-04 5 0.6648875E-05 6 0.1751186E-05 7 0.1560745E-06 8 0.2381516E-07 9 0.3692751E-08 v, j, mj = 0 1 0 0 0.2323654E-05 1 0.7245380E-03 2 0.2963217E-02 3 0.8180520E-03 4 0.1226939E-03 5 0.1897574E-04 6 0.1955673E-05 7 0.7463872E-07 8 0.1816707E-07 9 0.3039707E-08 v, j, mj = 0 1 1 0 0.3397093E-11 1 0.3628568E-02 2 0.1418787E-02 3 0.1478490E-02 4 0.3525915E-03 5 0.1552315E-03 6 0.6548741E-04 7 0.5592639E-05 8 0.6840234E-07 9 0.1641328E-07 v, j, mj = 0 3 -3 0 0.1071719E-04 1 0.4564328E-05 2 0.2575570E-04 3 0.6764323E-04 4 0.1094384E-04 5 0.1118810E-05 6 0.9456787E-07 7 0.2322779E-07 8 0.7835562E-08 9 0.4387342E-08 v, j, mj = 0 3 -2 0 0.3712175E-13 1 0.1702939E-04 2 0.6236324E-03 3 0.4661337E-03 4 0.9416570E-05 5 0.5189788E-06 6 0.5567768E-07 7 0.1567408E-07 8 0.1126597E-07 9 0.1896936E-08 v, j, mj = 0 3 -1 0 0.3605649E-11 1 0.3370111E-03 2 0.2859706E-02 3 0.7532065E-03 4 0.5720153E-04 5 0.6372182E-05 6 0.3838889E-06 7 0.1804983E-07 8 0.8888057E-08 9 0.4443279E-08 v, j, mj = 0 3 0 0 0.2545744E-06 1 0.8212485E-03 2 0.3372315E-02 3 0.1778812E-02 4 0.2724235E-03 5 0.2419510E-04 6 0.7799667E-06 7 0.3152227E-07 8 0.6285727E-08 9 0.4086932E-08 v, j, mj = 0 3 1 0 0.2684466E-11 1 0.8204561E-02 2 0.2743138E-02 3 0.4631476E-02 4 0.1148836E-02 5 0.1333023E-03 6 0.1068840E-04 7 0.5220053E-06 8 0.3195694E-07 9 0.6556153E-08 v, j, mj = 0 3 2 0 0.6265972E-13 1 0.2220311E-01 2 0.1512214E-02 3 0.7537249E-02 4 0.1865992E-02 5 0.1889768E-03 6 0.4149146E-05 7 0.4926901E-07 8 0.3716068E-07 9 0.6772289E-08 v, j, mj = 0 3 3 0 0.5407619E-03 1 0.1065456E-01 2 0.7097997E-03 3 0.8104768E-03 4 0.1696382E-02 5 0.1740898E-02 6 0.2903474E-03 7 0.6329342E-05 8 0.1049722E-06 9 0.1536036E-08 v, j, mj = 0 5 -5 0 0.3413270E-15 1 0.1225191E-06 2 0.4338730E-07 3 0.1865756E-07 4 0.5337644E-08 5 0.1920708E-08 6 0.4690377E-08 7 0.3347471E-08 8 0.1602975E-08 9 0.0000000E+00 v, j, mj = 0 5 -4 0 0.1242523E-13 1 0.1896170E-05 2 0.3205454E-06 3 0.1028398E-05 4 0.2546786E-06 5 0.3528875E-07 6 0.1307899E-07 7 0.1956086E-08 8 0.4974176E-09 9 0.0000000E+00 v, j, mj = 0 5 -3 0 0.7078797E-05 1 0.3184011E-07 2 0.1117517E-04 3 0.2195682E-04 4 0.1784451E-05 5 0.3219544E-07 6 0.7247585E-08 7 0.1066435E-08 8 0.1328562E-08 9 0.0000000E+00 v, j, mj = 0 5 -2 0 0.2571386E-13 1 0.2326246E-05 2 0.1191606E-03 3 0.1299721E-03 4 0.8896590E-05 5 0.2567465E-06 6 0.1790708E-07 7 0.4164086E-08 8 0.1836448E-08 9 0.0000000E+00 v, j, mj = 0 5 -1 0 0.1744347E-11 1 0.1369903E-03 2 0.1447841E-02 3 0.6319104E-03 4 0.4619745E-04 5 0.1358049E-05 6 0.3618527E-07 7 0.8636998E-08 8 0.4527109E-08 9 0.0000000E+00 v, j, mj = 0 5 0 0 0.2572579E-05 1 0.3166055E-02 2 0.1084036E-01 3 0.2382323E-02 4 0.1312958E-03 5 0.2910026E-05 6 0.1262550E-06 7 0.1200391E-07 8 0.7084208E-08 9 0.0000000E+00 v, j, mj = 0 5 1 0 0.6258314E-11 1 0.2246937E-01 2 0.4000033E-01 3 0.5731775E-02 4 0.2630688E-03 5 0.6417225E-05 6 0.1895361E-06 7 0.1890761E-07 8 0.6491070E-08 9 0.0000000E+00 v, j, mj = 0 5 2 0 0.1201307E-13 1 0.8510330E-01 2 0.7778317E-01 3 0.4924558E-02 4 0.7158183E-03 5 0.6189189E-04 6 0.1024224E-05 7 0.4901416E-07 8 0.4864244E-08 9 0.0000000E+00 v, j, mj = 0 5 3 0 0.7780094E-01 1 0.1131301E+00 2 0.1850742E-01 3 0.2080459E-01 4 0.5838835E-02 5 0.3697567E-03 6 0.8019399E-05 7 0.3526002E-07 8 0.6365223E-08 9 0.0000000E+00 v, j, mj = 0 5 4 0 0.2217388E-13 1 0.4788135E-02 2 0.1365271E+00 3 0.5939980E-01 4 0.9119854E-02 5 0.5007989E-03 6 0.5825336E-05 7 0.4631109E-07 8 0.2925929E-08 9 0.0000000E+00 v, j, mj = 0 5 5 0 0.2751776E-11 1 0.5188343E-03 2 0.2981092E-01 3 0.9571796E-01 4 0.6571752E-01 5 0.8705976E-02 6 0.1753559E-03 7 0.4431772E-06 8 0.4012306E-08 9 0.0000000E+00 v, j, mj = 0 7 -7 0 0.2436980E-15 1 0.2426121E-10 2 0.8619306E-10 3 0.1738371E-09 4 0.1275919E-09 5 0.2823320E-09 6 0.9618198E-10 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -6 0 0.1664961E-10 1 0.5088177E-09 2 0.1672962E-09 3 0.4494013E-09 4 0.7370976E-09 5 0.1650435E-09 6 0.6335565E-10 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -5 0 0.6931039E-16 1 0.4509399E-09 2 0.1380284E-08 3 0.1827888E-08 4 0.7863713E-09 5 0.4371512E-09 6 0.6373224E-10 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -4 0 0.1267419E-14 1 0.2153087E-07 2 0.2803817E-08 3 0.1427693E-07 4 0.1004495E-08 5 0.5294123E-09 6 0.1934624E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -3 0 0.1995774E-07 1 0.2507474E-07 2 0.3524522E-07 3 0.6305506E-07 4 0.9138894E-08 5 0.3933953E-08 6 0.8435418E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -2 0 0.4038730E-15 1 0.3633591E-08 2 0.3951247E-06 3 0.4019023E-06 4 0.3406707E-07 5 0.1863820E-07 6 0.1387519E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -1 0 0.1132335E-13 1 0.9387578E-06 2 0.9182528E-05 3 0.4243242E-05 4 0.2033695E-06 5 0.5377416E-07 6 0.7729767E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 0 0 0.3317287E-07 1 0.1691883E-04 2 0.7127016E-04 3 0.1744460E-04 4 0.9478141E-06 5 0.2007927E-06 6 0.4973916E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 1 0 0.6038276E-13 1 0.2120710E-03 2 0.2760318E-03 3 0.3861940E-04 4 0.1169465E-05 5 0.7459783E-07 6 0.1033656E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 2 0 0.1337809E-15 1 0.7874283E-03 2 0.4497308E-03 3 0.2832299E-04 4 0.1459779E-06 5 0.1162276E-06 6 0.6187567E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 3 0 0.2075998E-02 1 0.1282810E-02 2 0.4858904E-03 3 0.5431914E-04 4 0.3555461E-05 5 0.1764258E-06 6 0.1047894E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 4 0 0.1995749E-14 1 0.8081432E-03 2 0.4339840E-03 3 0.4727524E-04 4 0.4559298E-06 5 0.1174735E-07 6 0.1949666E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 5 0 0.2617374E-13 1 0.1576144E-03 2 0.3044555E-04 3 0.1808984E-04 4 0.5820758E-05 5 0.1951219E-06 6 0.1117193E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 6 0 0.6580835E-07 1 0.5624381E-05 2 0.4411018E-05 3 0.9076651E-06 4 0.2321176E-06 5 0.1879562E-06 6 0.3482215E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 7 0 0.5710347E-13 1 0.6187110E-06 2 0.1557334E-06 3 0.4232339E-06 4 0.9169031E-06 5 0.3165119E-06 6 0.1801655E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -9 0 0.1318326E-13 1 0.4746281E-12 2 0.3170796E-13 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -8 0 0.1081732E-16 1 0.4730455E-12 2 0.2577605E-12 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -7 0 0.3595217E-16 1 0.1871341E-11 2 0.5905355E-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 0.5279313E-12 1 0.6290015E-12 2 0.6475238E-12 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -5 0 0.2364773E-16 1 0.4876257E-11 2 0.1854385E-10 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -4 0 0.5580783E-17 1 0.6078676E-10 2 0.1410680E-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 -3 0 0.7978749E-10 1 0.1107467E-09 2 0.5623182E-10 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -2 0 0.1279162E-16 1 0.2768887E-09 2 0.2149278E-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 0.2420518E-16 1 0.2028180E-08 2 0.7562641E-09 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 0 0 0.5335938E-09 1 0.1439220E-07 2 0.2019848E-08 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 1 0 0.2297865E-16 1 0.6737423E-08 2 0.5366566E-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 0.8010561E-17 1 0.7263408E-07 2 0.1546478E-07 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 3 0 0.8220848E-07 1 0.1027769E-06 2 0.4113481E-07 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 4 0 0.1762363E-16 1 0.5373271E-07 2 0.3173207E-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 0.5782443E-16 1 0.9610516E-07 2 0.7804540E-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 6 0 0.9736342E-09 1 0.1795578E-08 2 0.5541952E-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 7 0 0.9040630E-16 1 0.2982581E-07 2 0.3215592E-08 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 8 0 0.3090845E-16 1 0.2345872E-07 2 0.2555844E-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 9 0 0.1524358E-07 1 0.1482619E-08 2 0.1213403E-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 0.1349139E-16 1 0.2957956E-08 2 0.7185256E-08 3 0.8160494E-08 4 0.2747205E-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 0.9308999E-09 1 0.4772474E-08 2 0.5490840E-08 3 0.1972759E-07 4 0.8842840E-08 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 1 1 0 0.7755487E-16 1 0.5872935E-08 2 0.8244791E-07 3 0.7390570E-08 4 0.4451238E-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 0.7402395E-10 1 0.5669705E-09 2 0.7790012E-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 0.1184790E-17 1 0.1217222E-08 2 0.7564382E-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 0.5184849E-18 1 0.1129168E-07 2 0.2820241E-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 0.6683042E-09 1 0.2557046E-08 2 0.3550295E-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 0.6954499E-16 1 0.1097365E-07 2 0.7253257E-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 0.4918600E-17 1 0.3901264E-07 2 0.6430756E-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 0.2681656E-07 1 0.3181414E-07 2 0.3975348E-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 = 1.0019651 average vibrational energy (ev) = 0.000000 average rotational energy (ev) = 0.201461 average diffraction energy (ev) = 0.035944 the reaction probability = -0.1965110D-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 0.1000084E+01 0.4315145E-01 0.1985436E+00 1 0.5684545E-05 0.1628199E-01 0.6642046E-01 ************************************ diffraction summed probabilities ************************************ v irot j m probability 0 21 1 -1 0.2164957E-02 0 26 1 0 0.7084185E-02 0 31 1 1 0.1051423E-01 0 13 3 -3 0.4049003E-03 0 17 3 -2 0.2893032E-02 0 22 3 -1 0.7700615E-02 0 27 3 0 0.7861751E-02 0 32 3 1 0.1621770E-01 0 36 3 2 0.4452316E-01 0 40 3 3 0.2368591E-01 0 7 5 -5 0.2449955E-05 0 10 5 -4 0.2205546E-04 0 14 5 -3 0.2354752E-03 0 18 5 -2 0.1182768E-02 0 23 5 -1 0.6492144E-02 0 28 5 0 0.3238838E-01 0 33 5 1 0.8778971E-01 0 37 5 2 0.1217550E+00 0 41 5 3 0.1850723E+00 0 44 5 4 0.1798476E+00 0 47 5 5 0.2456093E+00 0 3 7 -7 0.1337941E-08 0 5 7 -6 0.4127434E-08 0 8 7 -5 0.3373656E-07 0 11 7 -4 0.2186023E-06 0 15 7 -3 0.1302456E-05 0 19 7 -2 0.1033330E-04 0 24 7 -1 0.1044005E-03 0 29 7 0 0.5547623E-03 0 34 7 1 0.1573474E-02 0 38 7 2 0.2796939E-02 0 42 7 3 0.7881086E-02 0 45 7 4 0.3116574E-02 0 48 7 5 0.5288496E-03 0 50 7 6 0.5801509E-04 0 52 7 7 0.7548460E-05 0 1 9 -9 0.3749412E-11 0 2 9 -8 0.9842851E-11 0 4 9 -7 0.3048124E-10 0 6 9 -6 0.1009281E-09 0 9 9 -5 0.4160668E-09 0 12 9 -4 0.6407179E-09 0 16 9 -3 0.1122388E-08 0 20 9 -2 0.7128547E-08 0 25 9 -1 0.2058634E-07 0 30 9 0 0.8360620E-07 0 35 9 1 0.1768770E-06 0 39 9 2 0.3967092E-06 0 43 9 3 0.1250170E-05 0 46 9 4 0.7968830E-06 0 49 9 5 0.3534114E-06 0 51 9 6 0.3933286E-07 0 53 9 7 0.1324020E-06 0 54 9 8 0.3445375E-07 0 55 9 9 0.3168714E-07 1 21 1 -1 0.3383665E-07 1 26 1 0 0.1224475E-06 1 31 1 1 0.1409853E-05 1 13 3 -3 0.2876406E-08 1 17 3 -2 0.4054489E-08 1 22 3 -1 0.3027387E-07 1 27 3 0 0.2588649E-07 1 32 3 1 0.8757897E-07 1 36 3 2 0.3889327E-06 1 40 3 3 0.3578805E-05 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 0.2471583E-12 1 0.8825613E-04 2 0.9113733E-03 3 0.5966950E-03 4 0.3920457E-03 5 0.1386037E-03 6 0.3469629E-04 7 0.3196171E-05 8 0.8635676E-07 9 0.4259113E-08 v, j, mj = 0 1 0 0 0.2067463E-05 1 0.6940627E-03 2 0.2841162E-02 3 0.2695739E-02 4 0.6697077E-03 5 0.1520753E-03 6 0.2827724E-04 7 0.1064129E-05 8 0.2702409E-07 9 0.3277277E-08 v, j, mj = 0 1 1 0 0.1507280E-10 1 0.4343686E-02 2 0.1393402E-02 3 0.2075362E-02 4 0.1327475E-02 5 0.8716121E-03 6 0.4300217E-03 7 0.7111724E-04 8 0.1522220E-05 9 0.2700043E-07 v, j, mj = 0 3 -3 0 0.3157361E-04 1 0.3338359E-04 2 0.5077223E-04 3 0.2438960E-03 4 0.3543486E-04 5 0.8832260E-05 6 0.9579439E-06 7 0.4205029E-07 8 0.5032918E-08 9 0.2700625E-08 v, j, mj = 0 3 -2 0 0.1264035E-12 1 0.6255852E-04 2 0.1694691E-02 3 0.1069177E-02 4 0.6234802E-04 5 0.3825075E-05 6 0.3797096E-06 7 0.4157513E-07 8 0.9656593E-08 9 0.8256533E-09 v, j, mj = 0 3 -1 0 0.1075962E-10 1 0.8427919E-03 2 0.5746120E-02 3 0.9743728E-03 4 0.1191109E-03 5 0.1527369E-04 6 0.2748880E-05 7 0.1841362E-06 8 0.1005651E-07 9 0.3017188E-08 v, j, mj = 0 3 0 0 0.1991971E-05 1 0.1761515E-02 2 0.4539600E-02 3 0.1197102E-02 4 0.2994594E-03 5 0.5214499E-04 6 0.9271946E-05 7 0.6442557E-06 8 0.1674266E-07 9 0.4710902E-08 v, j, mj = 0 3 1 0 0.6117182E-11 1 0.5774020E-02 2 0.2491156E-02 3 0.5455209E-02 4 0.2030715E-02 5 0.4022920E-03 6 0.5971156E-04 7 0.4486292E-05 8 0.1077518E-06 9 0.5072979E-08 v, j, mj = 0 3 2 0 0.1249778E-12 1 0.3263053E-01 2 0.7290183E-03 3 0.7425962E-02 4 0.2765766E-02 5 0.8481625E-03 6 0.1209141E-03 7 0.2742885E-05 8 0.5080460E-07 9 0.7829681E-08 v, j, mj = 0 3 3 0 0.1448514E-02 1 0.1067986E-01 2 0.5490471E-04 3 0.7483366E-03 4 0.3731488E-02 5 0.5207903E-02 6 0.1723580E-02 7 0.9068331E-04 8 0.6380208E-06 9 0.5750302E-08 v, j, mj = 0 5 -5 0 0.2767998E-13 1 0.1925096E-05 2 0.1953935E-06 3 0.1853588E-06 4 0.1123211E-06 5 0.1682093E-07 6 0.6358696E-08 7 0.6309115E-08 8 0.2297138E-08 9 0.0000000E+00 v, j, mj = 0 5 -4 0 0.1533191E-13 1 0.8736727E-05 2 0.3013573E-05 3 0.8863521E-05 4 0.1380487E-05 5 0.4273218E-07 6 0.1237895E-07 7 0.4391645E-08 8 0.1646280E-08 9 0.0000000E+00 v, j, mj = 0 5 -3 0 0.3240734E-04 1 0.3855757E-05 2 0.6589268E-04 3 0.1276623E-03 4 0.5564967E-05 5 0.7652429E-07 6 0.1212274E-07 7 0.2317323E-08 8 0.1236940E-08 9 0.0000000E+00 v, j, mj = 0 5 -2 0 0.5913855E-13 1 0.8326400E-05 2 0.6222831E-03 3 0.5371463E-03 4 0.1425237E-04 5 0.7243973E-06 6 0.2707970E-07 7 0.6023036E-08 8 0.2659722E-08 9 0.0000000E+00 v, j, mj = 0 5 -1 0 0.9983116E-11 1 0.3665271E-03 2 0.4732464E-02 3 0.1334166E-02 4 0.5594382E-04 5 0.2915072E-05 6 0.1102471E-06 7 0.1189001E-07 8 0.5649082E-08 9 0.0000000E+00 v, j, mj = 0 5 0 0 0.6809428E-05 1 0.7676520E-02 2 0.2160886E-01 3 0.2977322E-02 4 0.1136690E-03 5 0.4804173E-05 6 0.3692618E-06 7 0.2169301E-07 8 0.9218785E-08 9 0.0000000E+00 v, j, mj = 0 5 1 0 0.3008964E-10 1 0.3930515E-01 2 0.4434289E-01 3 0.3876255E-02 4 0.2381706E-03 5 0.2608111E-04 6 0.1113856E-05 7 0.3500027E-07 8 0.1836826E-07 9 0.0000000E+00 v, j, mj = 0 5 2 0 0.7164641E-13 1 0.6173754E-01 2 0.5316640E-01 3 0.4299658E-02 4 0.2253773E-02 5 0.2858205E-03 6 0.1163644E-04 7 0.1456293E-06 8 0.1791563E-07 9 0.0000000E+00 v, j, mj = 0 5 3 0 0.5609328E-01 1 0.6667742E-01 2 0.8910854E-02 3 0.4204699E-01 4 0.1038313E-01 5 0.9139759E-03 6 0.4601164E-04 7 0.5919412E-06 8 0.1736009E-07 9 0.0000000E+00 v, j, mj = 0 5 4 0 0.3546621E-13 1 0.3621889E-02 2 0.1291719E+00 3 0.4133861E-01 4 0.4439782E-02 5 0.1226573E-02 6 0.4835993E-04 7 0.4837289E-06 8 0.2221516E-07 9 0.0000000E+00 v, j, mj = 0 5 5 0 0.1524709E-10 1 0.5974184E-03 2 0.4262686E-01 3 0.9348138E-01 4 0.8441608E-01 5 0.2328601E-01 6 0.1192811E-02 7 0.8723345E-05 8 0.6969893E-08 9 0.0000000E+00 v, j, mj = 0 7 -7 0 0.1146517E-14 1 0.6487207E-10 2 0.9429526E-10 3 0.2160778E-09 4 0.3043269E-09 5 0.3539275E-09 6 0.2870979E-09 7 0.1734252E-10 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -6 0 0.4907895E-11 1 0.7558824E-09 2 0.1141787E-08 3 0.7616242E-09 4 0.9908004E-09 5 0.2626094E-09 6 0.1806225E-09 7 0.2920007E-10 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -5 0 0.2946674E-14 1 0.1828226E-07 2 0.6753732E-08 3 0.6822524E-08 4 0.8907555E-09 5 0.7079197E-09 6 0.2399400E-09 7 0.3942568E-10 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -4 0 0.5335205E-14 1 0.1458060E-06 2 0.6432639E-08 3 0.5578850E-07 4 0.7310405E-08 5 0.2242520E-08 6 0.9725721E-09 7 0.4972195E-10 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -3 0 0.1205858E-06 1 0.3434371E-07 2 0.5213825E-06 3 0.5527677E-06 4 0.6670116E-07 5 0.4345195E-08 6 0.2119792E-08 7 0.2097523E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -2 0 0.3576418E-14 1 0.4600355E-07 2 0.5581829E-05 3 0.4321373E-05 4 0.3390765E-06 5 0.3753204E-07 6 0.7082950E-08 7 0.3998232E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -1 0 0.1301024E-12 1 0.4874975E-05 2 0.7140717E-04 3 0.2692835E-04 4 0.1119558E-05 5 0.5427078E-07 6 0.1586329E-07 7 0.3375802E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 0 0 0.8757463E-07 1 0.9546525E-04 2 0.3798490E-03 3 0.7662306E-04 4 0.2507315E-05 5 0.2101272E-06 6 0.1939863E-07 7 0.6238490E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 1 0 0.4060907E-12 1 0.6790004E-03 2 0.8006439E-03 3 0.9199622E-04 4 0.1754623E-05 5 0.6301843E-07 6 0.1552170E-07 7 0.5100520E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 2 0 0.1063488E-14 1 0.1935605E-02 2 0.8023795E-03 3 0.5406257E-04 4 0.4513140E-05 5 0.3544010E-06 6 0.2293658E-07 7 0.6613374E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 3 0 0.5184097E-02 1 0.1745586E-02 2 0.7684074E-03 3 0.1670802E-03 4 0.1546454E-04 5 0.4314629E-06 6 0.1836166E-07 7 0.1694599E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 4 0 0.1271344E-13 1 0.2207582E-02 2 0.7664014E-03 3 0.1384751E-03 4 0.3943704E-05 5 0.1571062E-06 6 0.1259318E-07 7 0.2082525E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 5 0 0.1241797E-12 1 0.4647038E-03 2 0.2275706E-04 3 0.2511572E-04 4 0.1427663E-04 5 0.1957428E-05 6 0.3853741E-07 7 0.4990258E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 6 0 0.1380029E-06 1 0.2353088E-04 2 0.2235632E-04 3 0.8927938E-05 4 0.2891506E-05 5 0.9142454E-07 6 0.7583672E-07 7 0.3183376E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 7 0 0.5566771E-12 1 0.3235478E-06 2 0.3921983E-05 3 0.2143958E-05 4 0.7044867E-06 5 0.4029575E-06 6 0.4875019E-07 7 0.2775815E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -9 0 0.1448534E-12 1 0.5683127E-12 2 0.2292648E-11 3 0.7435981E-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 0.3875612E-16 1 0.7196670E-12 2 0.5363410E-11 3 0.3759736E-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 0.5430831E-16 1 0.1699875E-10 2 0.2452310E-11 3 0.1103013E-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 -6 0 0.3256999E-11 1 0.1192684E-10 2 0.4475190E-10 3 0.4099235E-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 0.6934671E-17 1 0.1333806E-09 2 0.1460679E-09 3 0.1366183E-09 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -4 0 0.6686398E-17 1 0.1037822E-09 2 0.3221723E-09 3 0.2147635E-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 -3 0 0.6263046E-10 1 0.4546797E-09 2 0.1543263E-09 3 0.4507512E-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 -2 0 0.3344453E-17 1 0.2026045E-09 2 0.2878230E-08 3 0.4047713E-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 0.7813636E-17 1 0.2278908E-08 2 0.4728289E-08 3 0.1357914E-07 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 0 0 0.1671652E-09 1 0.1907664E-08 2 0.9769721E-08 3 0.7176165E-07 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 1 0 0.5961634E-17 1 0.8195140E-08 2 0.5261379E-07 3 0.1160681E-06 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 2 0 0.1063585E-16 1 0.6370523E-07 2 0.1985280E-06 3 0.1344760E-06 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 3 0 0.6036893E-06 1 0.3693164E-06 2 0.2504760E-06 3 0.2668819E-07 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 4 0 0.4015386E-16 1 0.3590816E-06 2 0.2328655E-06 3 0.2049360E-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 5 0 0.1291558E-15 1 0.9727486E-07 2 0.7080733E-07 3 0.1853292E-06 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 6 0 0.4504026E-09 1 0.4595322E-08 2 0.1139951E-07 3 0.2288762E-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 0.1617118E-15 1 0.2733488E-07 2 0.7116803E-07 3 0.3389910E-07 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 8 0 0.4698370E-16 1 0.2799972E-08 2 0.9468495E-08 3 0.2218529E-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 0.3154147E-08 1 0.9320437E-08 2 0.1415827E-07 3 0.5054281E-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 0.2658552E-14 1 0.2309575E-08 2 0.1526875E-07 3 0.7734992E-08 4 0.7589219E-08 5 0.9341090E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 1 0 0 0.2991768E-08 1 0.1815077E-07 2 0.5382438E-07 3 0.2489245E-07 4 0.1935176E-07 5 0.3236398E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 1 1 0 0.1107308E-13 1 0.5002129E-06 2 0.7112423E-06 3 0.1719734E-06 4 0.1867029E-07 5 0.7753754E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 -3 0 0.7701030E-10 1 0.1162275E-08 2 0.6900222E-09 3 0.8192478E-09 4 0.1278505E-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 0.1888933E-16 1 0.7172482E-09 2 0.1262910E-08 3 0.1570160E-08 4 0.5041709E-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 0.9171258E-16 1 0.6201337E-08 2 0.1777240E-07 3 0.5663106E-08 4 0.6370208E-09 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 0 0 0.5174030E-09 1 0.6489362E-08 2 0.2026727E-08 3 0.1557194E-07 4 0.1281052E-08 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 1 0 0.4952232E-15 1 0.4247719E-07 2 0.3359545E-07 3 0.8815485E-08 4 0.2690845E-08 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 2 0 0.6100028E-17 1 0.1000012E-06 2 0.2202091E-06 3 0.6795567E-07 4 0.7667163E-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 3 0 0.7629363E-06 1 0.2416355E-05 2 0.3698233E-06 3 0.2901183E-07 4 0.6782385E-09 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 sum of the probabilities = 1.0000901 average vibrational energy (ev) = 0.000003 average rotational energy (ev) = 0.198543 average diffraction energy (ev) = 0.043151 the reaction probability = -0.9014403D-04 etrans(icomin)= 0.151114 etrans(icomax)= 0.548327 etrans= 0.550000 CPU TIMES Total computation 94944.3985 (a) ... Propagating the wavefunction 92970.0969 (b) Setup time 1728.6337 Saving the wave function for rerun 45.3828 Calculating averages 5.4665 Calculating and saving BK-coeffs 17.8147 Asymptotic analysis 4.9985 Saving the flux coefficients 0.0000 Flux analysis 0.0000 ----------------------------------------------------- Sum 94772.3931 (a) ... FFTs along X and Y 4300.2257 Kinetic energy operation along Z 25968.2385 Kinetic energy operation along r 20066.6166 Potential energy multiplication 11265.4623 Legengre transforms 24932.3588 Shifting the wavefunction 2085.6917 Kinetic energy multiplications (xy) 422.6445 Absorbing the wavefunction 497.7875 Projection formalism 15.3077 Operations on specular grid 0.1767 ----------------------------------------------------- Sum 89554.5099 (b) ... Potential initialisation time 0.0000 Potential setup time 1703.4588 FFTs along X 2221.1035 FFTs along Y 2079.1222 Time spent on FGH for asympwf 0.3979 Ending date and time: Wed Jul 24 02:28:59 CEST 2019