Starting date and time: Sun Jul 21 22:32:28 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 20190721 at 223228.430 *** * 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: v0j5mj0-0.15eV-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: 0 * Initial rotational quantum number V: 0 * Only computing the potential: F * Imposing a minimum value on the potential: F * Imposing a maximum value on the potential: T * Maximum value imposed on the potential: 0.10000000E+02 * Using symmetry in setting up the potential: 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: 0 * 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 = 0 ... *** CONTINUING SETUP II *** * Setting up the angular DVR/FBR transform module and the transformation matric es ... *** SETUP DONE *** ******************************************************************************** INFO FROM MISCELLANEOUS SETUP ******************************************************************************** grid interval size in kz dir. (scat. grid) = 0.317333 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 = 0.29087067E-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 = 146 iz = 160 iz = 150 iz = 154 iz = 158 iz = 162 iz = 145 iz = 143 iz = 149 iz = 153 iz = 157 iz = 161 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 = 0.16956783E+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 = 172 ******************************************************************************** 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 = 7318 ******************************************************************************** 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 13.86493476 1.49162296 0.16829997E-01 0.14500000E+04 0.99999900 13.73855640 1.49163103 0.11939064E-01 0.15000000E+04 0.99999896 13.61215610 1.49164259 0.84968574E-02 0.15500000E+04 0.99999893 13.48573183 1.49164396 0.60728862E-02 0.16000000E+04 0.99999889 13.35928124 1.49164486 0.43625335E-02 0.16500000E+04 0.99999886 13.23280164 1.49164983 0.31518903E-02 0.17000000E+04 0.99999882 13.10628997 1.49165406 0.22914434E-02 0.17500000E+04 0.99999879 12.97974277 1.49166378 0.16769315E-02 0.18000000E+04 0.99999875 12.85315619 1.49168481 0.12356802E-02 0.18500000E+04 0.99999872 12.72652599 1.49171085 0.91697975E-03 0.19000000E+04 0.99999869 12.59984761 1.49172898 0.68536654E-03 0.19500000E+04 0.99999865 12.47311615 1.49174698 0.51595992E-03 0.20000000E+04 0.99999862 12.34632646 1.49177268 0.39123466E-03 0.20500000E+04 0.99999858 12.21947316 1.49179836 0.29879138E-03 0.21000000E+04 0.99999855 12.09255071 1.49183101 0.22981272E-03 0.21500000E+04 0.99999851 11.96555341 1.49187398 0.17799588E-03 0.22000000E+04 0.99999848 11.83847545 1.49192165 0.13881033E-03 0.22500000E+04 0.99999844 11.71131093 1.49196107 0.10898049E-03 0.23000000E+04 0.99999841 11.58405387 1.49199852 0.86124756E-04 0.23500000E+04 0.99999837 11.45669820 1.49204413 0.68500105E-04 0.24000000E+04 0.99999834 11.32923781 1.49208941 0.54823688E-04 0.24500000E+04 0.99999830 11.20166651 1.49213969 0.44145511E-04 0.25000000E+04 0.99999827 11.07397809 1.49219917 0.35757870E-04 0.25500000E+04 0.99999824 10.94616629 1.49226118 0.29130468E-04 0.26000000E+04 0.99999820 10.81822488 1.49231430 0.23863655E-04 0.26500000E+04 0.99999817 10.69014766 1.49236428 0.19654289E-04 0.27000000E+04 0.99999813 10.56192857 1.49242237 0.16272057E-04 0.27500000E+04 0.99999810 10.43356171 1.49248139 0.13539813E-04 0.28000000E+04 0.99999806 10.30504149 1.49254371 0.11321295E-04 0.28500000E+04 0.99999803 10.17636275 1.49261619 0.95109596E-05 0.29000000E+04 0.99999799 10.04752087 1.49268994 0.80266113E-05 0.29500000E+04 0.99999796 9.91851200 1.49275689 0.68036852E-05 0.30000000E+04 0.99999792 9.78933323 1.49282114 0.57920001E-05 0.30500000E+04 0.99999789 9.65998286 1.49289594 0.49512610E-05 0.31000000E+04 0.99999785 9.53046063 1.49297598 0.42496070E-05 0.31500000E+04 0.99999782 9.40076809 1.49306061 0.36615901E-05 0.32000000E+04 0.99999778 9.27090890 1.49315976 0.31668156E-05 0.32500000E+04 0.99999775 9.14088923 1.49326450 0.27488760E-05 0.33000000E+04 0.99999771 9.01071818 1.49336921 0.23945022E-05 0.33500000E+04 0.99999768 8.88040825 1.49347890 0.20929023E-05 0.34000000E+04 0.99999764 8.74997583 1.49360923 0.18352673E-05 0.34500000E+04 0.99999761 8.61944174 1.49375793 0.16144037E-05 0.35000000E+04 0.99999757 8.48883181 1.49392443 0.14244379E-05 0.35500000E+04 0.99999753 8.35817745 1.49412122 0.12603175E-05 0.36000000E+04 0.99999750 8.22751630 1.49434385 0.11185246E-05 0.36500000E+04 0.99999746 8.09689286 1.49458862 0.99545412E-06 0.37000000E+04 0.99999742 7.96635914 1.49486568 0.88828255E-06 0.37500000E+04 0.99999738 7.83597529 1.49519202 0.79465522E-06 0.38000000E+04 0.99999735 7.70581025 1.49557215 0.71262765E-06 0.38500000E+04 0.99999731 7.57594232 1.49600567 0.64059108E-06 0.39000000E+04 0.99999727 7.44645973 1.49650703 0.57719381E-06 0.39500000E+04 0.99999723 7.31746109 1.49707783 0.52107593E-06 0.40000000E+04 0.99999719 7.18905585 1.49771311 0.47166375E-06 0.40500000E+04 0.99999714 7.06136451 1.49842540 0.42788698E-06 0.41000000E+04 0.99999710 6.93451890 1.49922853 0.38899719E-06 0.41500000E+04 0.99999704 6.80866214 1.50012722 0.35433584E-06 0.42000000E+04 0.99999698 6.68394860 1.50111459 0.32333775E-06 0.42500000E+04 0.99999691 6.56054359 1.50219680 0.29554762E-06 0.43000000E+04 0.99999683 6.43862296 1.50337002 0.27061910E-06 0.43500000E+04 0.99999672 6.31837256 1.50461895 0.24808226E-06 0.44000000E+04 0.99999658 6.19998747 1.50594246 0.22807499E-06 0.44500000E+04 0.99999640 6.08367116 1.50734068 0.21011279E-06 0.45000000E+04 0.99999616 5.96963442 1.50880431 0.19390760E-06 0.45500000E+04 0.99999585 5.85809429 1.51031296 0.17920475E-06 0.46000000E+04 0.99999544 5.74927272 1.51185318 0.16581304E-06 0.46500000E+04 0.99999490 5.64339528 1.51340963 0.15360150E-06 0.47000000E+04 0.99999422 5.54068973 1.51495510 0.14247342E-06 0.47500000E+04 0.99999335 5.44138456 1.51647308 0.13234256E-06 0.48000000E+04 0.99999226 5.34570738 1.51795415 0.12312614E-06 0.48500000E+04 0.99999091 5.25388342 1.51938144 0.11474818E-06 0.49000000E+04 0.99998925 5.16613382 1.52073366 0.10713759E-06 0.49500000E+04 0.99998724 5.08267404 1.52199368 0.10001436E-06 0.50000000E+04 0.99998484 5.00371222 1.52314984 0.93708197E-07 0.50500000E+04 0.99998202 4.92944755 1.52418351 0.87923435E-07 0.51000000E+04 0.99997876 4.86006872 1.52508409 0.82574986E-07 0.51500000E+04 0.99997501 4.79575239 1.52585041 0.77594906E-07 0.52000000E+04 0.99997079 4.73666176 1.52647795 0.72943407E-07 0.52500000E+04 0.99996609 4.68294525 1.52696019 0.68598308E-07 0.53000000E+04 0.99996094 4.63473525 1.52729341 0.64545341E-07 0.53500000E+04 0.99995536 4.59214706 1.52747946 0.60782193E-07 0.54000000E+04 0.99994940 4.55527796 1.52751747 0.57288516E-07 0.54500000E+04 0.99994314 4.52420646 1.52741036 0.54056212E-07 0.55000000E+04 0.99993664 4.49899169 1.52716940 0.50893029E-07 0.55500000E+04 0.99992998 4.47967307 1.52680504 0.48131327E-07 0.56000000E+04 0.99992324 4.46627013 1.52632544 0.45573297E-07 0.56500000E+04 0.99991650 4.45878270 1.52573948 0.43223291E-07 0.57000000E+04 0.99990984 4.45719127 1.52505698 0.40970219E-07 0.57500000E+04 0.99990332 4.46145768 1.52428526 0.38888401E-07 0.58000000E+04 0.99989700 4.47152597 1.52343093 0.37038234E-07 0.58500000E+04 0.99989094 4.48732340 1.52250531 0.35162555E-07 0.59000000E+04 0.99988516 4.50876160 1.52151961 0.33427986E-07 0.59500000E+04 0.99987972 4.53573774 1.52048358 0.32131753E-07 0.60000000E+04 0.99987463 4.56813580 1.51940733 0.30643431E-07 0.60500000E+04 0.99986992 4.60582782 1.51830103 0.28914572E-07 0.61000000E+04 0.99986560 4.64867517 1.51717316 0.27980459E-07 0.61500000E+04 0.99986168 4.69652995 1.51603029 0.27126225E-07 0.62000000E+04 0.99985814 4.74923619 1.51488091 0.25066699E-07 0.62500000E+04 0.99985498 4.80663123 1.51373369 0.23976998E-07 ==> ZAnalysis on specular channel fixed at Z = 0.16800000E+02 0.63000000E+04 0.99985217 4.86854691 1.51259631 0.24280549E-07 0.63500000E+04 0.99984968 4.93481078 1.51147630 0.22951601E-07 0.64000000E+04 0.99984749 5.00524731 1.51037999 0.20914732E-07 0.64500000E+04 0.99984555 5.07967890 1.50931106 0.21358637E-07 0.65000000E+04 0.99984383 5.15792705 1.50827027 0.22007741E-07 0.65500000E+04 0.99984230 5.23981333 1.50725814 0.20208942E-07 0.66000000E+04 0.99984091 5.32516038 1.50627596 0.18904407E-07 0.66500000E+04 0.99983966 5.41379274 1.50532570 0.19133929E-07 0.67000000E+04 0.99983850 5.50553768 1.50441076 0.18582222E-07 0.67500000E+04 0.99983742 5.60022578 1.50353447 0.18410696E-07 0.68000000E+04 0.99983639 5.69769160 1.50269801 0.18826115E-07 0.68500000E+04 0.99983539 5.79777403 1.50189981 0.16690415E-07 0.69000000E+04 0.99983439 5.90031677 1.50113709 0.17587608E-07 0.69500000E+04 0.99983336 6.00516859 1.50040793 0.32392611E-07 0.70000000E+04 0.99983225 6.11218358 1.49971200 0.56858149E-07 0.70500000E+04 0.99983104 6.22122133 1.49905074 0.80789926E-07 0.71000000E+04 0.99982966 6.33214708 1.49842571 0.12102733E-06 0.71500000E+04 0.99982806 6.44483178 1.49783662 0.21500280E-06 0.72000000E+04 0.99982615 6.55915214 1.49728066 0.37644161E-06 0.72500000E+04 0.99982387 6.67499057 1.49675365 0.59153308E-06 0.73000000E+04 0.99982108 6.79223515 1.49625256 0.87913898E-06 0.73500000E+04 0.99981765 6.91077943 1.49577682 0.13308404E-05 0.74000000E+04 0.99981340 7.03052228 1.49532794 0.20573581E-05 0.74500000E+04 0.99980808 7.15136765 1.49490758 0.31099710E-05 0.75000000E+04 0.99980140 7.27322430 1.49451529 0.45147856E-05 0.75500000E+04 0.99979294 7.39600540 1.49414773 0.64048630E-05 0.76000000E+04 0.99978217 7.51962820 1.49379999 0.90531949E-05 0.76500000E+04 0.99976837 7.64401343 1.49346874 0.12717495E-04 0.77000000E+04 0.99975061 7.76908482 1.49315393 0.17508947E-04 0.77500000E+04 0.99972764 7.89476832 1.49285779 0.23512810E-04 0.78000000E+04 0.99969786 8.02099138 1.49258239 0.31034096E-04 0.78500000E+04 0.99965916 8.14768202 1.49232746 0.40617011E-04 0.79000000E+04 0.99960882 8.27476794 1.49208950 0.52790465E-04 0.79500000E+04 0.99954340 8.40217542 1.49186339 0.67921935E-04 0.80000000E+04 0.99945856 8.52982828 1.49164617 0.86482236E-04 0.80500000E+04 0.99934892 8.65764682 1.49143884 0.10949094E-03 0.81000000E+04 0.99920787 8.78554685 1.49124467 0.13864413E-03 0.81500000E+04 0.99902748 8.91343883 1.49106643 0.17603952E-03 0.82000000E+04 0.99879832 9.04122732 1.49090401 0.22396583E-03 0.82500000E+04 0.99850938 9.16881073 1.49075366 0.28521768E-03 0.83000000E+04 0.99814808 9.29608153 1.49061012 0.36376694E-03 0.83500000E+04 0.99770029 9.42292692 1.49047064 0.46514923E-03 0.84000000E+04 0.99715042 9.54922999 1.49033690 0.59624117E-03 0.84500000E+04 0.99648166 9.67487141 1.49021292 0.76482987E-03 0.85000000E+04 0.99567621 9.79973137 1.49010190 0.97962391E-03 0.85500000E+04 0.99471562 9.92369177 1.49000397 0.12508564E-02 0.86000000E+04 0.99358109 10.04663838 1.48991564 0.15909364E-02 0.86500000E+04 0.99225384 10.16846282 1.48983215 0.20144211E-02 0.87000000E+04 0.99071539 10.28906420 1.48975160 0.25371829E-02 0.87500000E+04 0.98894780 10.40835033 1.48967653 0.31753486E-02 0.88000000E+04 0.98693398 10.52623862 1.48961129 0.39446804E-02 0.88500000E+04 0.98465781 10.64265670 1.48955833 0.48605926E-02 0.89000000E+04 0.98210445 10.75754290 1.48951610 0.59383137E-02 0.89500000E+04 0.97926054 10.87084687 1.48947932 0.71924660E-02 0.90000000E+04 0.97611453 10.98253042 1.48944226 0.86358738E-02 0.90500000E+04 0.97265704 11.09256858 1.48940361 0.10278238E-01 0.91000000E+04 0.96888127 11.20095082 1.48936826 0.12125410E-01 0.91500000E+04 0.96478342 11.30768248 1.48934376 0.14179533E-01 0.92000000E+04 0.96036302 11.41278586 1.48933525 0.16439762E-01 0.92500000E+04 0.95562326 11.51630109 1.48934225 0.18902834E-01 0.93000000E+04 0.95057112 11.61828629 1.48935854 0.21563132E-01 0.93500000E+04 0.94521733 11.71881713 1.48937560 0.24412214E-01 0.94000000E+04 0.93957621 11.81798544 1.48938839 0.27438089E-01 0.94500000E+04 0.93366528 11.91589719 1.48939834 0.30624822E-01 0.95000000E+04 0.92750470 12.01266975 1.48941090 0.33952905E-01 0.95500000E+04 0.92111671 12.10842879 1.48943107 0.37400264E-01 0.96000000E+04 0.91452493 12.20330496 1.48946060 0.40943435E-01 0.96500000E+04 0.90775367 12.29743059 1.48949770 0.44558576E-01 0.97000000E+04 0.90082735 12.39093671 1.48953920 0.48222026E-01 0.97500000E+04 0.89376997 12.48395043 1.48958418 0.51910506E-01 0.98000000E+04 0.88660466 12.57659284 1.48963493 0.55601157E-01 0.98500000E+04 0.87935337 12.66897739 1.48969333 0.59271390E-01 0.99000000E+04 0.87203670 12.76120874 1.48975720 0.62898816E-01 0.99500000E+04 0.86467371 12.85338205 1.48982056 0.66461563E-01 0.10000000E+05 0.85728190 12.94558242 1.48987713 0.69938845E-01 0.10050000E+05 0.84987720 13.03788463 1.48992479 0.73311743E-01 0.10100000E+05 0.84247388 13.13035276 1.48996853 0.76563702E-01 0.10150000E+05 0.83508460 13.22303992 1.49001841 0.79680412E-01 0.10200000E+05 0.82772029 13.31598782 1.49008209 0.82649283E-01 0.10250000E+05 0.82039004 13.40922622 1.49015861 0.85458821E-01 0.10300000E+05 0.81310108 13.50277244 1.49023924 0.88098211E-01 0.10350000E+05 0.80585860 13.59663086 1.49031348 0.90557658E-01 0.10400000E+05 0.79866571 13.69079263 1.49037569 0.92829102E-01 0.10450000E+05 0.79152347 13.78523566 1.49042870 0.94906677E-01 0.10500000E+05 0.78443091 13.87992495 1.49048132 0.96786570E-01 0.10550000E+05 0.77738520 13.97481334 1.49054043 0.98466526E-01 0.10600000E+05 0.77038179 14.06984248 1.49060526 0.99945452E-01 0.10650000E+05 0.76341467 14.16494418 1.49066940 0.10122338E+00 0.10700000E+05 0.75647659 14.26004176 1.49072698 0.10230166E+00 0.10750000E+05 0.74955923 14.35505150 1.49077724 0.10318333E+00 0.10800000E+05 0.74265348 14.44988407 1.49082503 0.10387311E+00 0.10850000E+05 0.73574955 14.54444592 1.49087671 0.10437689E+00 0.10900000E+05 0.72883722 14.63864057 1.49093357 0.10470099E+00 0.10950000E+05 0.72190598 14.73236996 1.49098964 0.10485172E+00 0.11000000E+05 0.71494521 14.82553570 1.49103725 0.10483539E+00 0.11050000E+05 0.70794440 14.91804034 1.49107385 0.10465862E+00 0.11100000E+05 0.70089328 15.00978861 1.49110390 0.10432884E+00 0.11150000E+05 0.69378206 15.10068850 1.49113580 0.10385458E+00 0.11200000E+05 0.68660153 15.19065228 1.49117618 0.10324516E+00 0.11250000E+05 0.67934328 15.27959736 1.49122384 0.10250992E+00 0.11300000E+05 0.67199973 15.36744693 1.49126954 0.10165758E+00 0.11350000E+05 0.66456427 15.45413043 1.49130333 0.10069614E+00 0.11400000E+05 0.65703130 15.53958390 1.49132224 0.99633233E-01 0.11450000E+05 0.64939628 15.62375008 1.49133211 0.98476401E-01 0.11500000E+05 0.64165572 15.70657846 1.49134419 0.97233169E-01 0.11550000E+05 0.63380720 15.78802519 1.49136842 0.95910955E-01 0.11600000E+05 0.62584937 15.86805287 1.49140574 0.94517022E-01 0.11650000E+05 0.61778190 15.94663036 1.49144627 0.93058442E-01 0.11700000E+05 0.60960548 16.02373249 1.49147666 0.91542181E-01 0.11750000E+05 0.60132178 16.09933979 1.49148949 0.89975256E-01 0.11800000E+05 0.59293339 16.17343811 1.49148749 0.88364708E-01 0.11850000E+05 0.58444382 16.24601836 1.49148220 0.86717242E-01 0.11900000E+05 0.57585737 16.31707610 1.49148723 0.85038933E-01 0.11950000E+05 0.56717913 16.38661117 1.49150840 0.83335260E-01 0.12000000E+05 0.55841488 16.45462730 1.49153905 0.81611262E-01 0.12050000E+05 0.54957101 16.52113174 1.49156608 0.79871563E-01 0.12100000E+05 0.54065445 16.58613491 1.49157959 0.78120450E-01 0.12150000E+05 0.53167261 16.64965003 1.49157816 0.76361976E-01 0.12200000E+05 0.52263328 16.71169290 1.49156943 0.74600015E-01 0.12250000E+05 0.51354461 16.77228155 1.49156531 0.72838206E-01 0.12300000E+05 0.50441501 16.83143610 1.49157293 0.71079919E-01 0.12350000E+05 0.49525311 16.88917847 1.49158947 0.69328292E-01 0.12400000E+05 0.48606768 16.94553220 1.49160665 0.67586205E-01 0.12450000E+05 0.47686758 17.00052223 1.49161766 0.65856276E-01 0.12500000E+05 0.46766172 17.05417473 1.49162011 0.64140934E-01 0.12550000E+05 0.45845897 17.10651689 1.49161687 0.62442430E-01 0.12600000E+05 0.44926815 17.15757676 1.49161436 0.60762820E-01 0.12650000E+05 0.44009793 17.20738300 1.49161644 0.59103903E-01 0.12700000E+05 0.43095683 17.25596475 1.49162116 0.57467195E-01 0.12750000E+05 0.42185313 17.30335138 1.49162512 0.55854010E-01 0.12800000E+05 0.41279488 17.34957234 1.49162780 0.54265535E-01 0.12850000E+05 0.40378982 17.39465697 1.49163011 0.52702871E-01 0.12900000E+05 0.39484539 17.43863436 1.49163350 0.51167030E-01 0.12950000E+05 0.38596870 17.48153324 1.49163961 0.49658870E-01 0.13000000E+05 0.37716651 17.52338191 1.49164661 0.48179076E-01 0.13050000E+05 0.36844521 17.56420822 1.49164879 0.46728163E-01 0.13100000E+05 0.35981087 17.60403953 1.49164347 0.45306543E-01 0.13150000E+05 0.35126915 17.64290273 1.49163471 0.43914597E-01 0.13200000E+05 0.34282541 17.68082430 1.49162831 0.42552674E-01 0.13250000E+05 0.33448460 17.71783026 1.49162868 0.41221048E-01 0.13300000E+05 0.32625132 17.75394621 1.49163821 0.39919875E-01 0.13350000E+05 0.31812983 17.78919730 1.49165317 0.38649184E-01 0.13400000E+05 0.31012401 17.82360824 1.49166372 0.37408917E-01 0.13450000E+05 0.30223739 17.85720319 1.49166321 0.36198978E-01 0.13500000E+05 0.29447313 17.89000574 1.49165323 0.35019264E-01 0.13550000E+05 0.28683407 17.92203889 1.49163903 0.33869659E-01 0.13600000E+05 0.27932267 17.95332495 1.49162740 0.32749998E-01 0.13650000E+05 0.27194108 17.98388556 1.49162656 0.31660058E-01 0.13700000E+05 0.26469115 18.01374166 1.49163837 0.30599570E-01 0.13750000E+05 0.25757438 18.04291351 1.49165461 0.29568235E-01 0.13800000E+05 0.25059202 18.07142068 1.49166581 0.28565728E-01 0.13850000E+05 0.24374501 18.09928209 1.49166762 0.27591696E-01 0.13900000E+05 0.23703403 18.12651602 1.49165873 0.26645750E-01 0.13950000E+05 0.23045953 18.15314013 1.49164265 0.25727458E-01 0.14000000E+05 0.22402170 18.17917149 1.49163002 0.24836333E-01 0.14050000E+05 0.21772050 18.20462659 1.49162858 0.23971849E-01 0.14100000E+05 0.21155571 18.22952132 1.49163609 0.23133480E-01 0.14150000E+05 0.20552689 18.25387105 1.49164749 0.22320727E-01 0.14200000E+05 0.19963341 18.27769055 1.49165910 0.21533108E-01 0.14250000E+05 0.19387448 18.30099406 1.49166470 0.20770134E-01 0.14300000E+05 0.18824914 18.32379529 1.49166015 0.20031278E-01 0.14350000E+05 0.18275630 18.34610741 1.49165001 0.19315979E-01 0.14400000E+05 0.17739472 18.36794309 1.49164002 0.18623650E-01 0.14450000E+05 0.17216304 18.38931449 1.49163135 0.17953694E-01 0.14500000E+05 0.16705979 18.41023335 1.49162807 0.17305531E-01 0.14550000E+05 0.16208339 18.43071092 1.49163558 0.16678604E-01 0.14600000E+05 0.15723219 18.45075805 1.49164976 0.16072387E-01 0.14650000E+05 0.15250442 18.47038517 1.49166108 0.15486375E-01 0.14700000E+05 0.14789827 18.48960231 1.49166543 0.14920085E-01 0.14750000E+05 0.14341187 18.50841916 1.49166051 0.14373036E-01 0.14800000E+05 0.13904326 18.52684499 1.49164448 0.13844745E-01 0.14850000E+05 0.13479046 18.54488877 1.49162634 0.13334713E-01 0.14900000E+05 0.13065145 18.56255912 1.49162054 0.12842432E-01 0.14950000E+05 0.12662416 18.57986433 1.49162933 0.12367385E-01 0.15000000E+05 0.12270650 18.59681242 1.49164510 0.11909039E-01 0.15050000E+05 0.11889636 18.61341110 1.49166146 0.11466857E-01 0.15100000E+05 0.11519162 18.62966784 1.49166968 0.11040321E-01 0.15150000E+05 0.11159013 18.64558983 1.49166063 0.10628945E-01 0.15200000E+05 0.10808976 18.66118406 1.49164012 0.10232272E-01 0.15250000E+05 0.10468836 18.67645730 1.49162444 0.98498547E-02 0.15300000E+05 0.10138379 18.69141611 1.49162073 0.94812337E-02 0.15350000E+05 0.09817390 18.70606687 1.49162800 0.91259465E-02 0.15400000E+05 0.09505658 18.72041579 1.49164491 0.87835481E-02 0.15450000E+05 0.09202972 18.73446891 1.49166198 0.84536131E-02 0.15500000E+05 0.08909120 18.74823213 1.49166470 0.81357171E-02 0.15550000E+05 0.08623895 18.76171118 1.49165292 0.78294240E-02 0.15600000E+05 0.08347091 18.77491168 1.49163858 0.75343063E-02 0.15650000E+05 0.08078503 18.78783912 1.49162767 0.72499773E-02 0.15700000E+05 0.07817930 18.80049884 1.49162340 0.69760882E-02 0.15750000E+05 0.07565173 18.81289610 1.49163142 0.67122958E-02 0.15800000E+05 0.07320035 18.82503603 1.49164666 0.64582467E-02 0.15850000E+05 0.07082323 18.83692366 1.49165517 0.62135993E-02 0.15900000E+05 0.06851844 18.84856394 1.49165402 0.59780474E-02 0.15950000E+05 0.06628412 18.85996169 1.49164913 0.57513050E-02 0.16000000E+05 0.06411841 18.87112169 1.49164052 0.55330757E-02 0.16050000E+05 0.06201949 18.88204860 1.49163062 0.53230498E-02 0.16100000E+05 0.05998558 18.89274701 1.49162940 0.51209304E-02 0.16150000E+05 0.05801493 18.90322143 1.49163670 0.49264475E-02 0.16200000E+05 0.05610579 18.91347629 1.49164235 0.47393433E-02 0.16250000E+05 0.05425650 18.92351593 1.49164526 0.45593555E-02 0.16300000E+05 0.05246537 18.93334462 1.49164880 0.43862236E-02 0.16350000E+05 0.05073081 18.94296656 1.49164766 0.42197013E-02 0.16400000E+05 0.04905120 18.95238585 1.49164053 0.40595544E-02 0.16450000E+05 0.04742499 18.96160652 1.49163664 0.39055462E-02 0.16500000E+05 0.04585065 18.97063255 1.49163710 0.37574391E-02 0.16550000E+05 0.04432669 18.97946781 1.49163542 0.36150100E-02 0.16600000E+05 0.04285165 18.98811610 1.49163520 0.34780568E-02 0.16650000E+05 0.04142410 18.99658116 1.49164136 0.33463834E-02 0.16700000E+05 0.04004265 19.00486664 1.49164632 0.32197828E-02 0.16750000E+05 0.03870593 19.01297612 1.49164531 0.30980389E-02 0.16800000E+05 0.03741261 19.02091311 1.49164437 0.29809453E-02 0.16850000E+05 0.03616139 19.02868104 1.49164293 0.28683191E-02 0.16900000E+05 0.03495101 19.03628328 1.49163605 0.27600008E-02 0.16950000E+05 0.03378023 19.04372310 1.49163103 0.26558447E-02 0.17000000E+05 0.03264784 19.05100371 1.49163514 0.25557046E-02 0.17050000E+05 0.03155266 19.05812824 1.49164121 0.24594221E-02 0.17100000E+05 0.03049357 19.06509973 1.49164384 0.23668289E-02 0.17150000E+05 0.02946943 19.07192118 1.49164687 0.22777645E-02 0.17200000E+05 0.02847916 19.07859548 1.49164720 0.21920922E-02 0.17250000E+05 0.02752171 19.08512545 1.49163954 0.21096929E-02 0.17300000E+05 0.02659605 19.09151383 1.49163259 0.20304458E-02 0.17350000E+05 0.02570118 19.09776328 1.49163444 0.19542230E-02 0.17400000E+05 0.02483612 19.10387638 1.49163862 0.18809082E-02 0.17450000E+05 0.02399993 19.10985564 1.49164096 0.18104103E-02 0.17500000E+05 0.02319169 19.11570351 1.49164513 0.17426444E-02 0.17550000E+05 0.02241050 19.12142234 1.49164682 0.16774993E-02 0.17600000E+05 0.02165550 19.12701446 1.49164047 0.16148364E-02 0.17650000E+05 0.02092584 19.13248210 1.49163495 0.15545301E-02 0.17700000E+05 0.02022071 19.13782741 1.49163744 0.14965075E-02 0.17750000E+05 0.01953930 19.14305253 1.49164068 0.14407360E-02 0.17800000E+05 0.01888085 19.14815952 1.49164138 0.13871699E-02 0.17850000E+05 0.01824461 19.15315040 1.49164392 0.13357117E-02 0.17900000E+05 0.01762985 19.15802717 1.49164420 0.12862300E-02 0.17950000E+05 0.01703587 19.16279178 1.49163765 0.12386110E-02 0.18000000E+05 0.01646198 19.16744613 1.49163391 0.11927906E-02 0.18050000E+05 0.01590753 19.17199209 1.49163926 0.11487385E-02 0.18100000E+05 0.01537186 19.17643147 1.49164459 0.11064176E-02 0.18150000E+05 0.01485437 19.18076607 1.49164577 0.10657599E-02 0.18200000E+05 0.01435444 19.18499763 1.49164688 0.10266762E-02 0.18250000E+05 0.01387149 19.18912788 1.49164399 0.98908355E-03 0.18300000E+05 0.01340495 19.19315849 1.49163443 0.95292016E-03 0.18350000E+05 0.01295428 19.19709113 1.49162977 0.91813944E-03 0.18400000E+05 0.01251895 19.20092743 1.49163682 0.88469354E-03 0.18450000E+05 0.01209844 19.20466898 1.49164560 0.85252515E-03 0.18500000E+05 0.01169225 19.20831737 1.49165042 0.82157350E-03 0.18550000E+05 0.01129990 19.21187418 1.49165342 0.79178607E-03 0.18600000E+05 0.01092094 19.21534094 1.49164912 0.76312399E-03 0.18650000E+05 0.01055489 19.21871919 1.49163563 0.73555705E-03 0.18700000E+05 0.01020133 19.22201045 1.49162658 0.70905310E-03 0.18750000E+05 0.00985984 19.22521621 1.49163102 0.68357056E-03 0.18800000E+05 0.00953001 19.22833797 1.49164086 0.65905849E-03 0.18850000E+05 0.00921144 19.23137721 1.49165040 0.63546277E-03 0.18900000E+05 0.00890374 19.23433537 1.49165931 0.61273370E-03 0.18950000E+05 0.00860655 19.23721388 1.49165838 0.59083104E-03 0.19000000E+05 0.00831952 19.24001411 1.49164382 0.56972450E-03 0.19050000E+05 0.00804228 19.24273742 1.49162944 0.54939152E-03 0.19100000E+05 0.00777452 19.24538510 1.49162660 0.52981451E-03 0.19150000E+05 0.00751590 19.24795845 1.49163190 0.51097879E-03 0.19200000E+05 0.00726611 19.25045869 1.49164309 0.49286854E-03 0.19250000E+05 0.00702486 19.25288701 1.49165937 0.47546050E-03 0.19300000E+05 0.00679183 19.25524458 1.49166720 0.45871864E-03 0.19350000E+05 0.00656676 19.25753247 1.49165766 0.44259637E-03 0.19400000E+05 0.00634937 19.25975177 1.49164115 0.42704756E-03 0.19450000E+05 0.00613940 19.26190348 1.49162912 0.41203984E-03 0.19500000E+05 0.00593658 19.26398858 1.49162378 0.39756003E-03 0.19550000E+05 0.00574068 19.26600799 1.49163006 0.38360815E-03 0.19600000E+05 0.00555146 19.26796257 1.49165077 0.37018519E-03 0.19650000E+05 0.00536867 19.26985312 1.49166997 0.35728337E-03 0.19700000E+05 0.00519211 19.27168039 1.49167194 0.34488346E-03 0.19750000E+05 0.00502155 19.27344508 1.49165998 0.33295794E-03 0.19800000E+05 0.00485680 19.27514783 1.49164160 0.32147610E-03 0.19850000E+05 0.00469764 19.27678927 1.49162257 0.31040899E-03 0.19900000E+05 0.00454389 19.27836996 1.49161670 0.29973356E-03 0.19950000E+05 0.00439536 19.27989050 1.49163485 0.28943538E-03 0.20000000E+05 0.00425186 19.28135145 1.49166316 0.27950821E-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 -0.005220 2.06509 2 0.1554312 -0.023091 1.51392 3 0.1597487 -0.025912 0.98377 4 0.1640662 -0.014243 0.46520 5 0.1683837 0.003616 -0.04967 6 0.1727013 0.016524 -0.56297 7 0.1770188 0.017175 -1.06930 8 0.1813363 0.006479 -1.55932 9 0.1856539 -0.007240 -2.02745 10 0.1899714 -0.014040 -2.47630 11 0.1942889 -0.009463 -2.91449 12 0.1986065 0.002145 2.93265 13 0.2029240 0.010998 2.49678 14 0.2072415 0.009845 2.06757 15 0.2115591 0.000248 1.65377 16 0.2158766 -0.008622 1.25762 17 0.2201941 -0.008379 0.87268 18 0.2245117 0.000391 0.49002 19 0.2288292 0.008434 0.10653 20 0.2331467 0.007233 -0.27178 21 0.2374643 -0.001760 -0.63647 22 0.2417818 -0.008391 -0.98657 23 0.2460993 -0.005131 -1.32958 24 0.2504169 0.003993 -1.67324 25 0.2547344 0.007902 -2.01682 26 0.2590519 0.001906 -2.35191 27 0.2633695 -0.006222 -2.67323 28 0.2676870 -0.005955 -2.98544 29 0.2720045 0.002245 2.98591 30 0.2763221 0.007314 2.67255 31 0.2806396 0.002426 2.36521 32 0.2849571 -0.005512 2.07043 33 0.2892746 -0.005354 1.78452 34 0.2935922 0.002462 1.49858 35 0.2979097 0.006429 1.21075 36 0.3022272 0.000744 0.92896 37 0.3065448 -0.006022 0.65917 38 0.3108623 -0.003710 0.39628 39 0.3151798 0.003967 0.13158 40 0.3194974 0.005078 -0.13433 41 0.3238149 -0.001967 -0.39224 42 0.3281324 -0.005877 -0.63898 43 0.3324500 -0.000433 -0.88259 44 0.3367675 0.005473 -1.12983 45 0.3410850 0.002257 -1.37527 46 0.3454026 -0.004604 -1.61003 47 0.3497201 -0.003626 -1.83675 48 0.3540376 0.003433 -2.06544 49 0.3583552 0.004475 -2.29688 50 0.3626727 -0.002296 -2.52090 51 0.3669902 -0.005171 -2.73401 52 0.3713078 0.000778 -2.94575 53 0.3756253 0.004972 3.12075 54 0.3799428 -0.000071 2.90746 55 0.3842604 -0.005308 2.70593 56 0.3885779 -0.001312 2.50913 57 0.3928954 0.004557 2.30694 58 0.3972129 0.001471 2.10473 59 0.4015305 -0.004817 1.91402 60 0.4058480 -0.002465 1.73074 61 0.4101655 0.004212 1.54224 62 0.4144831 0.002633 1.35102 63 0.4188006 -0.004138 1.17085 64 0.4231181 -0.003048 1.00021 65 0.4274357 0.003768 0.82455 66 0.4317532 0.002944 0.64419 67 0.4360707 -0.003956 0.47479 68 0.4403883 -0.003306 0.31641 69 0.4447058 0.003583 0.15253 70 0.4490233 0.002880 -0.01762 71 0.4533409 -0.004053 -0.17603 72 0.4576584 -0.003270 -0.32225 73 0.4619759 0.003500 -0.47532 74 0.4662935 0.002328 -0.63567 75 0.4706110 -0.004344 -0.78238 76 0.4749285 -0.002696 -0.91650 77 0.4792461 0.003862 -1.06034 78 0.4835636 0.001766 -1.21170 79 0.4878811 -0.004438 -1.34608 80 0.4921987 -0.001707 -1.46856 81 0.4965162 0.004119 -1.60492 82 0.5008337 0.000773 -1.74727 83 0.5051512 -0.004512 -1.86793 84 0.5094688 -0.000485 -1.97975 85 0.5137863 0.004250 -2.11110 86 0.5181038 -0.000298 -2.24412 87 0.5224214 -0.004259 -2.35026 88 0.5267389 0.000815 -2.45421 89 0.5310564 0.003895 -2.58313 90 0.5353740 -0.001669 -2.70455 91 0.5396915 -0.003788 -2.79553 92 0.5440090 0.002225 -2.89621 93 0.5483266 0.003432 -3.02458 ******************************************************************************** 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 0.9901287E+00 0.3596611E-02 0.2039696E+00 1 0.0000000E+00 0.0000000E+00 0.0000000E+00 ************************************ diffraction summed probabilities ************************************ v irot j m probability 0 21 1 -1 0.2583018E-03 0 26 1 0 0.1246849E-01 0 31 1 1 0.2583018E-03 0 13 3 -3 0.1030246E-03 0 17 3 -2 0.1088317E-02 0 22 3 -1 0.3857574E-02 0 27 3 0 0.3694001E-01 0 32 3 1 0.3857574E-02 0 36 3 2 0.1088317E-02 0 40 3 3 0.1030246E-03 0 7 5 -5 0.3095104E-06 0 10 5 -4 0.1132688E-04 0 14 5 -3 0.9386338E-04 0 18 5 -2 0.5236159E-02 0 23 5 -1 0.1990328E-02 0 28 5 0 0.9154296E+00 0 33 5 1 0.1990328E-02 0 37 5 2 0.5236159E-02 0 41 5 3 0.9386337E-04 0 44 5 4 0.1132688E-04 0 47 5 5 0.3095104E-06 0 3 7 -7 0.3227177E-10 0 5 7 -6 0.3739500E-07 0 8 7 -5 0.2697310E-09 0 11 7 -4 0.1102062E-06 0 15 7 -3 0.3416544E-07 0 19 7 -2 0.3711886E-07 0 24 7 -1 0.5816456E-06 0 29 7 0 0.1065134E-04 0 34 7 1 0.5816456E-06 0 38 7 2 0.3711887E-07 0 42 7 3 0.3416545E-07 0 45 7 4 0.1102062E-06 0 48 7 5 0.2697310E-09 0 50 7 6 0.3739500E-07 0 52 7 7 0.3227166E-10 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 0.1524590E-16 1 0.4133868E-04 2 0.9645241E-04 3 0.8381996E-04 4 0.3419447E-04 5 0.2448970E-05 6 0.4015903E-07 7 0.7160495E-08 8 0.1780093E-10 9 0.0000000E+00 v, j, mj = 0 1 0 0 0.2572675E-02 1 0.6894747E-02 2 0.2533935E-02 3 0.4142387E-03 4 0.5001020E-04 5 0.2766403E-05 6 0.8975012E-07 7 0.2762928E-07 8 0.4203376E-09 9 0.0000000E+00 v, j, mj = 0 1 1 0 0.9415527E-16 1 0.4133868E-04 2 0.9645241E-04 3 0.8381995E-04 4 0.3419447E-04 5 0.2448970E-05 6 0.4015905E-07 7 0.7160491E-08 8 0.1780088E-10 9 0.0000000E+00 v, j, mj = 0 3 -3 0 0.1581936E-08 1 0.2742184E-05 2 0.4144318E-04 3 0.5194701E-04 4 0.6694930E-05 5 0.1772282E-06 6 0.1755032E-07 7 0.9044876E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 3 -2 0 0.7259130E-15 1 0.2258680E-03 2 0.6275459E-03 3 0.2211553E-03 4 0.1343978E-04 5 0.2462720E-06 6 0.5886643E-07 7 0.3396191E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 3 -1 0 0.1175928E-15 1 0.1476887E-02 2 0.2075705E-02 3 0.2999320E-03 4 0.4940417E-05 5 0.8855993E-07 6 0.1828397E-07 7 0.2411212E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 3 0 0 0.1957485E-01 1 0.1689565E-01 2 0.3533067E-03 3 0.1056692E-03 4 0.1028101E-04 5 0.1603317E-06 6 0.6948841E-07 7 0.2483219E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 3 1 0 0.9379555E-16 1 0.1476887E-02 2 0.2075705E-02 3 0.2999320E-03 4 0.4940416E-05 5 0.8855987E-07 6 0.1828397E-07 7 0.2411210E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 3 2 0 0.6565609E-15 1 0.2258680E-03 2 0.6275459E-03 3 0.2211553E-03 4 0.1343978E-04 5 0.2462720E-06 6 0.5886643E-07 7 0.3396191E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 3 3 0 0.1582708E-08 1 0.2742184E-05 2 0.4144317E-04 3 0.5194700E-04 4 0.6694929E-05 5 0.1772281E-06 6 0.1755031E-07 7 0.9044878E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 -5 0 0.1248301E-16 1 0.2650981E-07 2 0.7110020E-07 3 0.5243325E-07 4 0.2280240E-07 5 0.1366648E-06 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 -4 0 0.4903847E-17 1 0.3192099E-05 2 0.5023893E-05 3 0.1227760E-05 4 0.1490985E-05 5 0.3921424E-06 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 -3 0 0.1947546E-06 1 0.2350044E-04 2 0.6129923E-04 3 0.8257707E-05 4 0.5757447E-06 5 0.3550517E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 -2 0 0.1682483E-15 1 0.4047770E-02 2 0.1146724E-02 3 0.3737786E-04 4 0.4191362E-05 5 0.9549747E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 -1 0 0.6230845E-17 1 0.1742397E-02 2 0.2350351E-03 3 0.1238756E-04 4 0.4976788E-06 5 0.1100946E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 0 0 0.6327532E+00 1 0.2581311E+00 2 0.2388031E-01 3 0.6522852E-03 4 0.1143325E-04 5 0.1335803E-05 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 1 0 0.5363671E-16 1 0.1742397E-02 2 0.2350351E-03 3 0.1238756E-04 4 0.4976788E-06 5 0.1100946E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 2 0 0.2138555E-15 1 0.4047770E-02 2 0.1146724E-02 3 0.3737786E-04 4 0.4191362E-05 5 0.9549746E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 3 0 0.1947538E-06 1 0.2350044E-04 2 0.6129923E-04 3 0.8257707E-05 4 0.5757447E-06 5 0.3550516E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 4 0 0.8395519E-17 1 0.3192099E-05 2 0.5023893E-05 3 0.1227760E-05 4 0.1490985E-05 5 0.3921423E-06 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 5 0 0.2449058E-16 1 0.2650983E-07 2 0.7110014E-07 3 0.5243325E-07 4 0.2280239E-07 5 0.1366648E-06 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -7 0 0.1448308E-17 1 0.3058856E-10 2 0.1683207E-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 -6 0 0.1480935E-07 1 0.2227244E-07 2 0.3132056E-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 -5 0 0.1441222E-16 1 0.2638735E-09 2 0.5857451E-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 -4 0 0.4530160E-16 1 0.1061701E-06 2 0.4036044E-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 0.3977046E-08 1 0.2916652E-07 2 0.1021879E-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 0.3630836E-16 1 0.3396057E-07 2 0.3158288E-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 0.7518381E-17 1 0.5757961E-06 2 0.5849471E-08 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 0 0 0.7136907E-05 1 0.3496210E-05 2 0.1821838E-07 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 1 0 0.1012313E-16 1 0.5757961E-06 2 0.5849471E-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 0.4745669E-16 1 0.3396058E-07 2 0.3158288E-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 0.3977046E-08 1 0.2916652E-07 2 0.1021878E-08 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 4 0 0.3608598E-16 1 0.1061702E-06 2 0.4036046E-08 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 5 0 0.7440637E-17 1 0.2638736E-09 2 0.5857434E-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 6 0 0.1480936E-07 1 0.2227244E-07 2 0.3132055E-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 7 0 0.2945241E-17 1 0.3058846E-10 2 0.1683203E-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 sum of the probabilities = 0.9901287 average vibrational energy (ev) = 0.000000 average rotational energy (ev) = 0.203970 average diffraction energy (ev) = 0.003597 the reaction probability = 0.9871265D-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 0.1006165E+01 0.4393701E-02 0.1944917E+00 1 0.0000000E+00 0.0000000E+00 0.0000000E+00 ************************************ diffraction summed probabilities ************************************ v irot j m probability 0 21 1 -1 0.7433536E-03 0 26 1 0 0.2165483E-01 0 31 1 1 0.7433536E-03 0 13 3 -3 0.6377975E-03 0 17 3 -2 0.4120678E-02 0 22 3 -1 0.1084499E-01 0 27 3 0 0.7695032E-01 0 32 3 1 0.1084499E-01 0 36 3 2 0.4120678E-02 0 40 3 3 0.6377975E-03 0 7 5 -5 0.1034487E-05 0 10 5 -4 0.3443090E-04 0 14 5 -3 0.5462052E-03 0 18 5 -2 0.1093862E-01 0 23 5 -1 0.4138626E-02 0 28 5 0 0.8431806E+00 0 33 5 1 0.4138626E-02 0 37 5 2 0.1093862E-01 0 41 5 3 0.5462052E-03 0 44 5 4 0.3443091E-04 0 47 5 5 0.1034485E-05 0 3 7 -7 0.2014174E-08 0 5 7 -6 0.3678162E-07 0 8 7 -5 0.2121765E-07 0 11 7 -4 0.2621636E-05 0 15 7 -3 0.1354233E-06 0 19 7 -2 0.1334704E-05 0 24 7 -1 0.7002939E-05 0 29 7 0 0.3456373E-03 0 34 7 1 0.7002939E-05 0 38 7 2 0.1334704E-05 0 42 7 3 0.1354234E-06 0 45 7 4 0.2621636E-05 0 48 7 5 0.2121765E-07 0 50 7 6 0.3678162E-07 0 52 7 7 0.2014173E-08 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 0.1221869E-15 1 0.3032401E-03 2 0.3573233E-03 3 0.3348306E-04 4 0.3941021E-04 5 0.9466478E-05 6 0.4007995E-06 7 0.2481963E-07 8 0.4854604E-08 9 0.0000000E+00 v, j, mj = 0 1 0 0 0.5569061E-02 1 0.1199651E-01 2 0.3285865E-02 3 0.6607424E-03 4 0.1332956E-03 5 0.9076377E-05 6 0.2466955E-06 7 0.3093090E-07 8 0.3322136E-08 9 0.0000000E+00 v, j, mj = 0 1 1 0 0.1935186E-15 1 0.3032401E-03 2 0.3573233E-03 3 0.3348306E-04 4 0.3941019E-04 5 0.9466479E-05 6 0.4007996E-06 7 0.2481962E-07 8 0.4854603E-08 9 0.0000000E+00 v, j, mj = 0 3 -3 0 0.1150397E-08 1 0.1126607E-04 2 0.1998037E-03 3 0.3368740E-03 4 0.8601320E-04 5 0.3807518E-05 6 0.2233674E-07 7 0.9490277E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 3 -2 0 0.1880234E-13 1 0.8579498E-03 2 0.2130274E-02 3 0.1031537E-02 4 0.9852447E-04 5 0.2359053E-05 6 0.2437421E-07 7 0.8983742E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 3 -1 0 0.1511893E-14 1 0.3771733E-02 2 0.6200090E-02 3 0.8368938E-03 4 0.3507707E-04 5 0.1168310E-05 6 0.2282171E-07 7 0.4731403E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 3 0 0 0.4653739E-01 1 0.2904415E-01 2 0.5397193E-03 3 0.7390313E-03 4 0.8603615E-04 5 0.3877321E-05 6 0.7842114E-07 7 0.3364365E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 3 1 0 0.1717355E-14 1 0.3771733E-02 2 0.6200090E-02 3 0.8368938E-03 4 0.3507706E-04 5 0.1168310E-05 6 0.2282174E-07 7 0.4731402E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 3 2 0 0.1828597E-13 1 0.8579497E-03 2 0.2130274E-02 3 0.1031537E-02 4 0.9852449E-04 5 0.2359054E-05 6 0.2437418E-07 7 0.8983743E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 3 3 0 0.1148113E-08 1 0.1126606E-04 2 0.1998037E-03 3 0.3368740E-03 4 0.8601320E-04 5 0.3807518E-05 6 0.2233671E-07 7 0.9490278E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 -5 0 0.1838865E-16 1 0.5149735E-07 2 0.3435764E-06 3 0.3223499E-06 4 0.9146112E-07 5 0.2041610E-06 6 0.2144082E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 -4 0 0.2836388E-15 1 0.5399930E-05 2 0.1721801E-04 3 0.9748180E-05 4 0.1875170E-05 5 0.5643129E-07 6 0.1331820E-06 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 -3 0 0.3075013E-06 1 0.1034099E-03 2 0.3622072E-03 3 0.7733236E-04 4 0.2548817E-05 5 0.3830617E-06 6 0.1638891E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 -2 0 0.3607243E-14 1 0.8004821E-02 2 0.2807865E-02 3 0.1195802E-03 4 0.6140892E-05 5 0.8475205E-07 6 0.1306801E-06 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 -1 0 0.3042897E-15 1 0.3833013E-02 2 0.2374719E-03 3 0.6497206E-04 4 0.3140511E-05 5 0.1879873E-07 6 0.8814962E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 0 0 0.6085564E+00 1 0.2027227E+00 2 0.3076977E-01 3 0.1104546E-02 4 0.2677734E-04 5 0.4043373E-06 6 0.6332424E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 1 0 0.4238135E-15 1 0.3833013E-02 2 0.2374719E-03 3 0.6497206E-04 4 0.3140511E-05 5 0.1879871E-07 6 0.8814960E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 2 0 0.4499087E-14 1 0.8004821E-02 2 0.2807865E-02 3 0.1195802E-03 4 0.6140892E-05 5 0.8475206E-07 6 0.1306801E-06 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 3 0 0.3074822E-06 1 0.1034099E-03 2 0.3622072E-03 3 0.7733235E-04 4 0.2548817E-05 5 0.3830617E-06 6 0.1638891E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 4 0 0.1102038E-15 1 0.5399930E-05 2 0.1721801E-04 3 0.9748181E-05 4 0.1875170E-05 5 0.5643129E-07 6 0.1331820E-06 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 5 0 0.1220395E-15 1 0.5149718E-07 2 0.3435743E-06 3 0.3223499E-06 4 0.9146132E-07 5 0.2041609E-06 6 0.2144082E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -7 0 0.1136826E-16 1 0.1935091E-09 2 0.1593601E-08 3 0.2270638E-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 -6 0 0.1951591E-07 1 0.1254528E-07 2 0.2858637E-08 3 0.1861790E-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 -5 0 0.6703079E-18 1 0.1746525E-07 2 0.3562921E-08 3 0.1894742E-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 -4 0 0.5709106E-17 1 0.2435552E-05 2 0.1807492E-06 3 0.5334403E-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 -3 0 0.6813217E-08 1 0.6722568E-07 2 0.1137246E-07 3 0.5001200E-07 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -2 0 0.5955839E-16 1 0.1123506E-05 2 0.1243968E-06 3 0.8680063E-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 0.1479630E-16 1 0.6078698E-05 2 0.6225078E-06 3 0.3017331E-06 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 0 0 0.2023123E-03 1 0.1370126E-03 2 0.5835661E-05 3 0.4767704E-06 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 1 0 0.1725444E-16 1 0.6078698E-05 2 0.6225078E-06 3 0.3017331E-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 0.4545847E-16 1 0.1123506E-05 2 0.1243968E-06 3 0.8680062E-07 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 3 0 0.6813242E-08 1 0.6722570E-07 2 0.1137245E-07 3 0.5001200E-07 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 4 0 0.1289188E-17 1 0.2435552E-05 2 0.1807492E-06 3 0.5334402E-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 5 0 0.2895345E-17 1 0.1746525E-07 2 0.3562925E-08 3 0.1894736E-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 6 0 0.1951592E-07 1 0.1254528E-07 2 0.2858636E-08 3 0.1861791E-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 0.1436826E-16 1 0.1935087E-09 2 0.1593600E-08 3 0.2270639E-09 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 sum of the probabilities = 1.0061652 average vibrational energy (ev) = 0.000000 average rotational energy (ev) = 0.194492 average diffraction energy (ev) = 0.004394 the reaction probability = -0.6165219D-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 0.9980731E+00 0.5545367E-02 0.1836681E+00 1 0.1091715E-07 0.1581087E-02 0.1447186E-01 ************************************ diffraction summed probabilities ************************************ v irot j m probability 0 21 1 -1 0.2721593E-02 0 26 1 0 0.2421917E-01 0 31 1 1 0.2721594E-02 0 13 3 -3 0.2068236E-02 0 17 3 -2 0.1052620E-01 0 22 3 -1 0.2001578E-01 0 27 3 0 0.1201929E+00 0 32 3 1 0.2001578E-01 0 36 3 2 0.1052620E-01 0 40 3 3 0.2068236E-02 0 7 5 -5 0.6589791E-05 0 10 5 -4 0.1818733E-03 0 14 5 -3 0.2610417E-02 0 18 5 -2 0.2095568E-01 0 23 5 -1 0.7991645E-02 0 28 5 0 0.7168745E+00 0 33 5 1 0.7991645E-02 0 37 5 2 0.2095568E-01 0 41 5 3 0.2610417E-02 0 44 5 4 0.1818733E-03 0 47 5 5 0.6589782E-05 0 3 7 -7 0.9370611E-08 0 5 7 -6 0.1416754E-06 0 8 7 -5 0.4480975E-07 0 11 7 -4 0.1470049E-05 0 15 7 -3 0.1475584E-05 0 19 7 -2 0.4572191E-05 0 24 7 -1 0.1124163E-03 0 29 7 0 0.2390218E-02 0 34 7 1 0.1124163E-03 0 38 7 2 0.4572192E-05 0 42 7 3 0.1475586E-05 0 45 7 4 0.1470048E-05 0 48 7 5 0.4480979E-07 0 50 7 6 0.1416753E-06 0 52 7 7 0.9370629E-08 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 0.1162589E-09 1 26 1 0 0.1068463E-07 1 31 1 1 0.1162587E-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 0.1472937E-14 1 0.1160299E-02 2 0.1408968E-02 3 0.1352104E-03 4 0.6180025E-05 5 0.9599369E-05 6 0.1268422E-05 7 0.6266681E-07 8 0.6104668E-08 9 0.4967927E-10 v, j, mj = 0 1 0 0 0.8434925E-02 1 0.1243288E-01 2 0.2441768E-02 3 0.6394406E-03 4 0.2477274E-03 5 0.2116195E-04 6 0.1209698E-05 7 0.5082063E-07 8 0.2917077E-08 9 0.3553414E-09 v, j, mj = 0 1 1 0 0.1377905E-15 1 0.1160299E-02 2 0.1408968E-02 3 0.1352104E-03 4 0.6179996E-05 5 0.9599375E-05 6 0.1268421E-05 7 0.6266667E-07 8 0.6104669E-08 9 0.4967913E-10 v, j, mj = 0 3 -3 0 0.1980225E-07 1 0.3958696E-04 2 0.5129724E-03 3 0.1028602E-02 4 0.4464179E-03 5 0.3992855E-04 6 0.7001677E-06 7 0.6697402E-08 8 0.1310103E-08 9 0.0000000E+00 v, j, mj = 0 3 -2 0 0.2203299E-12 1 0.2489917E-02 2 0.5042805E-02 3 0.2671903E-02 4 0.3086971E-03 5 0.1268591E-04 6 0.1850667E-06 7 0.1046690E-07 8 0.1041683E-08 9 0.0000000E+00 v, j, mj = 0 3 -1 0 0.5574321E-14 1 0.7698461E-02 2 0.1129559E-01 3 0.9616434E-03 4 0.5491379E-04 5 0.4998979E-05 6 0.1507565E-06 7 0.1318413E-07 8 0.6756583E-08 9 0.0000000E+00 v, j, mj = 0 3 0 0 0.8247410E-01 1 0.3138456E-01 2 0.4164361E-02 3 0.1902797E-02 4 0.2494972E-03 5 0.1734350E-04 6 0.2030356E-06 7 0.2764315E-07 8 0.1538697E-07 9 0.0000000E+00 v, j, mj = 0 3 1 0 0.1401563E-13 1 0.7698461E-02 2 0.1129559E-01 3 0.9616433E-03 4 0.5491376E-04 5 0.4998984E-05 6 0.1507569E-06 7 0.1318413E-07 8 0.6756583E-08 9 0.0000000E+00 v, j, mj = 0 3 2 0 0.1992920E-12 1 0.2489917E-02 2 0.5042805E-02 3 0.2671903E-02 4 0.3086971E-03 5 0.1268591E-04 6 0.1850664E-06 7 0.1046690E-07 8 0.1041681E-08 9 0.0000000E+00 v, j, mj = 0 3 3 0 0.1983803E-07 1 0.3958691E-04 2 0.5129725E-03 3 0.1028602E-02 4 0.4464180E-03 5 0.3992855E-04 6 0.7001681E-06 7 0.6697414E-08 8 0.1310104E-08 9 0.0000000E+00 v, j, mj = 0 5 -5 0 0.9867281E-15 1 0.6551055E-07 2 0.2246999E-05 3 0.3226210E-05 4 0.8908993E-06 5 0.1169784E-06 6 0.3990359E-07 7 0.3289839E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 -4 0 0.8518845E-14 1 0.7255051E-05 2 0.8244330E-04 3 0.8282519E-04 4 0.9122701E-05 5 0.1566471E-06 6 0.6891419E-07 7 0.1508705E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 -3 0 0.5384778E-06 1 0.4043866E-03 2 0.1702770E-02 3 0.4768288E-03 4 0.2525376E-04 5 0.6089753E-06 6 0.2837787E-07 7 0.2227701E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 -2 0 0.1119997E-12 1 0.1496340E-01 2 0.5762387E-02 3 0.2213917E-03 4 0.7980635E-05 5 0.4065012E-06 6 0.1083993E-06 7 0.1129427E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 -1 0 0.5524523E-14 1 0.7529226E-02 2 0.1115346E-03 3 0.3376652E-03 4 0.1312611E-04 5 0.7967549E-07 6 0.1239425E-07 7 0.1133862E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 0 0 0.5726956E+00 1 0.1097151E+00 2 0.3362690E-01 3 0.7734251E-03 4 0.6229901E-04 5 0.1103628E-05 6 0.2622199E-07 7 0.2701788E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 1 0 0.5907331E-14 1 0.7529225E-02 2 0.1115347E-03 3 0.3376652E-03 4 0.1312610E-04 5 0.7967565E-07 6 0.1239425E-07 7 0.1133863E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 2 0 0.1107463E-12 1 0.1496340E-01 2 0.5762387E-02 3 0.2213918E-03 4 0.7980633E-05 5 0.4065011E-06 6 0.1083993E-06 7 0.1129427E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 3 0 0.5383291E-06 1 0.4043867E-03 2 0.1702770E-02 3 0.4768288E-03 4 0.2525376E-04 5 0.6089753E-06 6 0.2837785E-07 7 0.2227700E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 4 0 0.7980045E-14 1 0.7255072E-05 2 0.8244332E-04 3 0.8282518E-04 4 0.9122702E-05 5 0.1566475E-06 6 0.6891421E-07 7 0.1508706E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 5 0 0.1622364E-14 1 0.6550632E-07 2 0.2246989E-05 3 0.3226214E-05 4 0.8908999E-06 5 0.1169784E-06 6 0.3990361E-07 7 0.3289837E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -7 0 0.3816431E-17 1 0.4222023E-09 2 0.3809877E-08 3 0.3124391E-08 4 0.2014141E-08 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -6 0 0.1548157E-07 1 0.4486748E-07 2 0.7331001E-07 3 0.6471580E-08 4 0.1544709E-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 -5 0 0.1535927E-16 1 0.1744110E-08 2 0.2688309E-07 3 0.1492924E-07 4 0.1253316E-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 -4 0 0.2841769E-16 1 0.7287550E-06 2 0.7180073E-06 3 0.1675566E-07 4 0.6531082E-08 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -3 0 0.2134384E-07 1 0.1129057E-05 2 0.2721292E-06 3 0.2007336E-07 4 0.3298046E-07 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -2 0 0.7334619E-16 1 0.2411765E-05 2 0.1978437E-05 3 0.1687232E-06 4 0.1326621E-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 0.2895269E-16 1 0.9783925E-04 2 0.1396330E-04 3 0.5544795E-06 4 0.5927183E-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 0.1372832E-02 1 0.9889247E-03 2 0.2808041E-04 3 0.3103987E-06 4 0.7043060E-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 0.1303347E-16 1 0.9783925E-04 2 0.1396330E-04 3 0.5544799E-06 4 0.5927187E-07 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 2 0 0.1145089E-15 1 0.2411766E-05 2 0.1978437E-05 3 0.1687232E-06 4 0.1326621E-07 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 3 0 0.2134541E-07 1 0.1129057E-05 2 0.2721292E-06 3 0.2007340E-07 4 0.3298050E-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 0.8477278E-17 1 0.7287544E-06 2 0.7180073E-06 3 0.1675563E-07 4 0.6531088E-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 5 0 0.7073820E-17 1 0.1744100E-08 2 0.2688312E-07 3 0.1492925E-07 4 0.1253321E-08 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 6 0 0.1548158E-07 1 0.4486744E-07 2 0.7331000E-07 3 0.6471579E-08 4 0.1544708E-08 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 7 0 0.3024100E-17 1 0.4222084E-09 2 0.3809885E-08 3 0.3124392E-08 4 0.2014144E-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 0.1660273E-17 1 0.1162589E-09 2 0.0000000E+00 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 1 0 0 0.8822175E-08 1 0.1862456E-08 2 0.0000000E+00 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 1 1 0 0.1703942E-17 1 0.1162587E-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 = 0.9980731 average vibrational energy (ev) = 0.000000 average rotational energy (ev) = 0.183668 average diffraction energy (ev) = 0.005545 the reaction probability = 0.1926925D-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 0.9984687E+00 0.7363662E-02 0.1767187E+00 1 0.3664457E-06 0.1286808E-01 0.1510336E-01 ************************************ diffraction summed probabilities ************************************ v irot j m probability 0 21 1 -1 0.6270144E-02 0 26 1 0 0.2495668E-01 0 31 1 1 0.6270144E-02 0 13 3 -3 0.4056548E-02 0 17 3 -2 0.1921885E-01 0 22 3 -1 0.2593062E-01 0 27 3 0 0.1405804E+00 0 32 3 1 0.2593062E-01 0 36 3 2 0.1921885E-01 0 40 3 3 0.4056549E-02 0 7 5 -5 0.6665186E-04 0 10 5 -4 0.1005290E-02 0 14 5 -3 0.8909060E-02 0 18 5 -2 0.3573126E-01 0 23 5 -1 0.1490088E-01 0 28 5 0 0.5903521E+00 0 33 5 1 0.1490088E-01 0 37 5 2 0.3573126E-01 0 41 5 3 0.8909060E-02 0 44 5 4 0.1005290E-02 0 47 5 5 0.6665191E-04 0 3 7 -7 0.1643821E-07 0 5 7 -6 0.9336571E-07 0 8 7 -5 0.1618705E-06 0 11 7 -4 0.1899712E-05 0 15 7 -3 0.1392910E-04 0 19 7 -2 0.3485097E-04 0 24 7 -1 0.7222075E-03 0 29 7 0 0.8854596E-02 0 34 7 1 0.7222075E-03 0 38 7 2 0.3485100E-04 0 42 7 3 0.1392912E-04 0 45 7 4 0.1899714E-05 0 48 7 5 0.1618698E-06 0 50 7 6 0.9336568E-07 0 52 7 7 0.1643829E-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 0.8967404E-07 1 26 1 0 0.1838704E-06 1 31 1 1 0.8967401E-07 1 13 3 -3 0.1573594E-12 1 17 3 -2 0.6696248E-19 1 22 3 -1 0.3432380E-19 1 27 3 0 0.3226975E-08 1 32 3 1 0.1156946E-19 1 36 3 2 0.4323593E-19 1 40 3 3 0.1573545E-12 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 0.3456396E-14 1 0.2795044E-02 2 0.3049050E-02 3 0.3385032E-03 4 0.7324808E-04 5 0.1135272E-04 6 0.2768630E-05 7 0.1700462E-06 8 0.4438326E-08 9 0.2083285E-08 v, j, mj = 0 1 0 0 0.8918719E-02 1 0.1054865E-01 2 0.4204097E-02 3 0.9075284E-03 4 0.3406924E-03 5 0.3508543E-04 6 0.1844907E-05 7 0.5415819E-07 8 0.9828420E-08 9 0.5744156E-09 v, j, mj = 0 1 1 0 0.9821743E-14 1 0.2795045E-02 2 0.3049050E-02 3 0.3385032E-03 4 0.7324808E-04 5 0.1135272E-04 6 0.2768621E-05 7 0.1700447E-06 8 0.4438306E-08 9 0.2083287E-08 v, j, mj = 0 3 -3 0 0.1923025E-06 1 0.1338994E-03 2 0.8947920E-03 3 0.1841263E-02 4 0.1006298E-02 5 0.1733267E-03 6 0.6723562E-05 7 0.4584712E-07 8 0.7773022E-08 9 0.3320437E-10 v, j, mj = 0 3 -2 0 0.1373597E-11 1 0.5743169E-02 2 0.8552875E-02 3 0.4373394E-02 4 0.5205181E-03 5 0.2818145E-04 6 0.6976739E-06 7 0.1616608E-07 8 0.2612572E-08 9 0.5678247E-11 v, j, mj = 0 3 -1 0 0.8089629E-14 1 0.1192162E-01 2 0.1331981E-01 3 0.5922382E-03 4 0.8430426E-04 5 0.1192781E-04 6 0.6980886E-06 7 0.2292698E-07 8 0.5508848E-08 9 0.3003537E-10 v, j, mj = 0 3 0 0 0.1074872E+00 1 0.1976373E-01 2 0.1101580E-01 3 0.1935324E-02 4 0.3468331E-03 5 0.3043018E-04 6 0.1029255E-05 7 0.2836362E-07 8 0.1021831E-07 9 0.1689657E-10 v, j, mj = 0 3 1 0 0.6967969E-13 1 0.1192162E-01 2 0.1331980E-01 3 0.5922378E-03 4 0.8430418E-04 5 0.1192782E-04 6 0.6980903E-06 7 0.2292697E-07 8 0.5508852E-08 9 0.3003524E-10 v, j, mj = 0 3 2 0 0.1323480E-11 1 0.5743169E-02 2 0.8552874E-02 3 0.4373393E-02 4 0.5205182E-03 5 0.2818146E-04 6 0.6976739E-06 7 0.1616611E-07 8 0.2612569E-08 9 0.5678309E-11 v, j, mj = 0 3 3 0 0.1925379E-06 1 0.1338992E-03 2 0.8947920E-03 3 0.1841263E-02 4 0.1006298E-02 5 0.1733267E-03 6 0.6723563E-05 7 0.4584721E-07 8 0.7773021E-08 9 0.3320434E-10 v, j, mj = 0 5 -5 0 0.1206264E-13 1 0.6679832E-08 2 0.1375141E-04 3 0.3739165E-04 4 0.1470719E-04 5 0.7056623E-06 6 0.5816626E-07 7 0.3110377E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 -4 0 0.1362970E-12 1 0.9173998E-05 2 0.4174719E-03 3 0.5010680E-03 4 0.7570950E-04 5 0.1827701E-05 6 0.2964441E-07 7 0.9413048E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 -3 0 0.1126885E-05 1 0.1341978E-02 2 0.5749074E-02 3 0.1692560E-02 4 0.1212365E-03 5 0.3018577E-05 6 0.6282165E-07 7 0.4029093E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 -2 0 0.1623681E-11 1 0.2609981E-01 2 0.9309597E-02 3 0.2985866E-03 4 0.2216149E-04 5 0.1036728E-05 6 0.5430086E-07 7 0.8083743E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 -1 0 0.3878536E-13 1 0.1235788E-01 2 0.1413710E-02 3 0.1099871E-02 4 0.2910083E-04 5 0.3052538E-06 6 0.1547557E-07 7 0.6930573E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 0 0 0.5128797E+00 1 0.4785918E-01 2 0.2883247E-01 3 0.6433986E-03 4 0.1342197E-03 5 0.3000841E-05 6 0.4464372E-07 7 0.1509637E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 1 0 0.3952270E-13 1 0.1235787E-01 2 0.1413710E-02 3 0.1099871E-02 4 0.2910083E-04 5 0.3052550E-06 6 0.1547555E-07 7 0.6930562E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 2 0 0.1588569E-11 1 0.2609981E-01 2 0.9309597E-02 3 0.2985868E-03 4 0.2216148E-04 5 0.1036728E-05 6 0.5430072E-07 7 0.8083731E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 3 0 0.1126209E-05 1 0.1341978E-02 2 0.5749074E-02 3 0.1692560E-02 4 0.1212365E-03 5 0.3018576E-05 6 0.6282174E-07 7 0.4029090E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 4 0 0.1382886E-12 1 0.9174032E-05 2 0.4174720E-03 3 0.5010681E-03 4 0.7570950E-04 5 0.1827702E-05 6 0.2964444E-07 7 0.9413038E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 5 0 0.1527213E-13 1 0.6669771E-08 2 0.1375146E-04 3 0.3739166E-04 4 0.1470718E-04 5 0.7056634E-06 6 0.5816622E-07 7 0.3110378E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -7 0 0.2682043E-16 1 0.1724811E-08 2 0.2290632E-08 3 0.5436940E-08 4 0.4544965E-08 5 0.2440865E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -6 0 0.9235444E-08 1 0.2546301E-07 2 0.2718565E-07 3 0.2299111E-07 4 0.4757734E-08 5 0.3732761E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -5 0 0.5477023E-16 1 0.7573857E-07 2 0.6062253E-07 3 0.1608279E-07 4 0.5936321E-08 5 0.3490239E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -4 0 0.7890048E-15 1 0.1002807E-05 2 0.7914905E-06 3 0.7870214E-07 4 0.1498553E-07 5 0.1172722E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -3 0 0.4971559E-07 1 0.5129196E-05 2 0.7101774E-05 3 0.1588621E-05 4 0.5204237E-07 5 0.7751567E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -2 0 0.5750735E-14 1 0.1456074E-04 2 0.1893538E-04 3 0.1332650E-05 4 0.2025471E-07 5 0.1945540E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -1 0 0.5880988E-15 1 0.6681988E-03 2 0.5337824E-04 3 0.5222003E-06 4 0.4097468E-07 5 0.6731788E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 0 0 0.5574165E-02 1 0.3252272E-02 2 0.2553761E-04 3 0.2532446E-05 4 0.6319057E-07 5 0.2584175E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 1 0 0.4885674E-15 1 0.6681988E-03 2 0.5337825E-04 3 0.5222034E-06 4 0.4097451E-07 5 0.6731790E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 2 0 0.6646638E-14 1 0.1456077E-04 2 0.1893538E-04 3 0.1332651E-05 4 0.2025453E-07 5 0.1945530E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 3 0 0.4973233E-07 1 0.5129197E-05 2 0.7101772E-05 3 0.1588621E-05 4 0.5204247E-07 5 0.7751549E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 4 0 0.6680554E-15 1 0.1002808E-05 2 0.7914908E-06 3 0.7870218E-07 4 0.1498554E-07 5 0.1172720E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 5 0 0.4167475E-16 1 0.7573829E-07 2 0.6062208E-07 3 0.1608291E-07 4 0.5936327E-08 5 0.3490241E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 6 0 0.9235387E-08 1 0.2546307E-07 2 0.2718555E-07 3 0.2299119E-07 4 0.4757726E-08 5 0.3732763E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 7 0 0.3028167E-18 1 0.1724829E-08 2 0.2290709E-08 3 0.5436907E-08 4 0.4544983E-08 5 0.2440864E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 1 -1 0 0.4718059E-17 1 0.5264861E-07 2 0.3565910E-07 3 0.1366333E-08 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 1 0 0 0.7705554E-07 1 0.8470399E-07 2 0.1869090E-07 3 0.3419929E-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 0.4120431E-17 1 0.5264858E-07 2 0.3565910E-07 3 0.1366334E-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 = 0.9984690 average vibrational energy (ev) = 0.000000 average rotational energy (ev) = 0.176719 average diffraction energy (ev) = 0.007364 the reaction probability = 0.1530976D-02 $$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$ total energy = -0.42382760D+01 trans energy = 0.43571429D+00 trans energy in z = 0.43571429D+00 total momentum = 0.10847330D+02 $$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$ ************************************ rotation-diffraction summed probabilities ************************************ v probability av edif av erot 0 0.1003381E+01 0.9953137E-02 0.1768077E+00 1 0.5346721E-05 0.9236861E-02 0.2066564E-01 ************************************ diffraction summed probabilities ************************************ v irot j m probability 0 21 1 -1 0.9331789E-02 0 26 1 0 0.3118244E-01 0 31 1 1 0.9331789E-02 0 13 3 -3 0.5333116E-02 0 17 3 -2 0.2613274E-01 0 22 3 -1 0.2523358E-01 0 27 3 0 0.1311212E+00 0 32 3 1 0.2523358E-01 0 36 3 2 0.2613274E-01 0 40 3 3 0.5333116E-02 0 7 5 -5 0.5307806E-03 0 10 5 -4 0.3852324E-02 0 14 5 -3 0.2167012E-01 0 18 5 -2 0.5270968E-01 0 23 5 -1 0.2567232E-01 0 28 5 0 0.4724500E+00 0 33 5 1 0.2567232E-01 0 37 5 2 0.5270968E-01 0 41 5 3 0.2167012E-01 0 44 5 4 0.3852324E-02 0 47 5 5 0.5307808E-03 0 3 7 -7 0.4881669E-07 0 5 7 -6 0.2084648E-06 0 8 7 -5 0.2597185E-06 0 11 7 -4 0.9037345E-05 0 15 7 -3 0.1164567E-03 0 19 7 -2 0.1678766E-03 0 24 7 -1 0.2607410E-02 0 29 7 0 0.2189122E-01 0 34 7 1 0.2607410E-02 0 38 7 2 0.1678767E-03 0 42 7 3 0.1164568E-03 0 45 7 4 0.9037380E-05 0 48 7 5 0.2597124E-06 0 50 7 6 0.2084603E-06 0 52 7 7 0.4881670E-07 0 1 9 -9 0.9103958E-10 0 2 9 -8 0.1700276E-09 0 4 9 -7 0.4993713E-09 0 6 9 -6 0.3732261E-08 0 9 9 -5 0.5541939E-09 0 12 9 -4 0.4899700E-08 0 16 9 -3 0.5431315E-08 0 20 9 -2 0.5080705E-07 0 25 9 -1 0.5967730E-07 0 30 9 0 0.5450671E-06 0 35 9 1 0.5967764E-07 0 39 9 2 0.5080702E-07 0 43 9 3 0.5431264E-08 0 46 9 4 0.4899698E-08 0 49 9 5 0.5541970E-09 0 51 9 6 0.3732260E-08 0 53 9 7 0.4993698E-09 0 54 9 8 0.1700294E-09 0 55 9 9 0.9103886E-10 1 21 1 -1 0.9003908E-06 1 26 1 0 0.3084087E-05 1 31 1 1 0.9003909E-06 1 13 3 -3 0.1843788E-08 1 17 3 -2 0.1904136E-07 1 22 3 -1 0.6137155E-07 1 27 3 0 0.2973385E-06 1 32 3 1 0.6137161E-07 1 36 3 2 0.1904141E-07 1 40 3 3 0.1843781E-08 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 0.5434540E-14 1 0.4494652E-02 2 0.4112553E-02 3 0.3181807E-03 4 0.2853246E-03 5 0.9892814E-04 6 0.2090452E-04 7 0.1224679E-05 8 0.1995842E-07 9 0.1897426E-08 v, j, mj = 0 1 0 0 0.5234164E-02 1 0.1543832E-01 2 0.8362215E-02 3 0.1568590E-02 4 0.5338357E-03 5 0.4456072E-04 6 0.7104072E-06 7 0.2871846E-07 8 0.1337064E-07 9 0.1358989E-08 v, j, mj = 0 1 1 0 0.1109256E-12 1 0.4494652E-02 2 0.4112553E-02 3 0.3181809E-03 4 0.2853244E-03 5 0.9892802E-04 6 0.2090451E-04 7 0.1224675E-05 8 0.1995824E-07 9 0.1897428E-08 v, j, mj = 0 3 -3 0 0.7453908E-06 1 0.3392983E-03 2 0.1051819E-02 3 0.2345025E-02 4 0.1241846E-02 5 0.3270150E-03 6 0.2699593E-04 7 0.3651383E-06 8 0.5689499E-08 9 0.8158863E-09 v, j, mj = 0 3 -2 0 0.6150935E-11 1 0.1035487E-01 2 0.1028886E-01 3 0.4739308E-02 4 0.7118908E-03 5 0.3699140E-04 6 0.7936175E-06 7 0.2140137E-07 8 0.2689629E-08 9 0.4283653E-09 v, j, mj = 0 3 -1 0 0.3689700E-14 1 0.1339718E-01 2 0.1070886E-01 3 0.7537731E-03 4 0.3214360E-03 5 0.4801248E-04 6 0.4228523E-05 7 0.7427166E-07 8 0.8165966E-08 9 0.1795614E-08 v, j, mj = 0 3 0 0 0.1048456E+00 1 0.1162870E-01 2 0.1354512E-01 3 0.7968225E-03 4 0.2825276E-03 5 0.2119067E-04 6 0.1113189E-05 7 0.5295894E-07 8 0.1645081E-07 9 0.1203134E-08 v, j, mj = 0 3 1 0 0.2466406E-12 1 0.1339718E-01 2 0.1070886E-01 3 0.7537722E-03 4 0.3214358E-03 5 0.4801247E-04 6 0.4228524E-05 7 0.7427144E-07 8 0.8165940E-08 9 0.1795616E-08 v, j, mj = 0 3 2 0 0.5978687E-11 1 0.1035487E-01 2 0.1028886E-01 3 0.4739306E-02 4 0.7118908E-03 5 0.3699144E-04 6 0.7936254E-06 7 0.2140172E-07 8 0.2689632E-08 9 0.4283607E-09 v, j, mj = 0 3 3 0 0.7459990E-06 1 0.3392980E-03 2 0.1051819E-02 3 0.2345024E-02 4 0.1241846E-02 5 0.3270150E-03 6 0.2699592E-04 7 0.3651383E-06 8 0.5689519E-08 9 0.8158876E-09 v, j, mj = 0 5 -5 0 0.7507637E-13 1 0.6450206E-06 2 0.8189524E-04 3 0.2835176E-03 4 0.1501878E-03 5 0.1441041E-04 6 0.8702655E-07 7 0.2510784E-07 8 0.1240010E-07 9 0.0000000E+00 v, j, mj = 0 5 -4 0 0.1270171E-11 1 0.2413509E-04 2 0.1728192E-02 3 0.1757669E-02 4 0.3269790E-03 5 0.1521475E-04 6 0.1262137E-06 7 0.7565576E-08 8 0.3643083E-09 9 0.0000000E+00 v, j, mj = 0 5 -3 0 0.2572748E-05 1 0.3786645E-02 2 0.1430069E-01 3 0.3348717E-02 4 0.2220672E-03 5 0.9133126E-05 6 0.2784068E-06 7 0.7932305E-08 8 0.6990298E-08 9 0.0000000E+00 v, j, mj = 0 5 -2 0 0.1231095E-10 1 0.4088644E-01 2 0.1116255E-01 3 0.5893708E-03 4 0.6759733E-04 5 0.3601665E-05 6 0.1126516E-06 7 0.7606345E-08 8 0.1767403E-08 9 0.0000000E+00 v, j, mj = 0 5 -1 0 0.1527839E-12 1 0.1560005E-01 2 0.7868322E-02 3 0.2158707E-02 4 0.4302186E-04 5 0.2128544E-05 6 0.8175566E-07 7 0.7292404E-08 8 0.1000691E-08 9 0.0000000E+00 v, j, mj = 0 5 0 0 0.4031680E+00 1 0.5159943E-01 2 0.1492103E-01 3 0.2625158E-02 4 0.1324173E-03 5 0.3837831E-05 6 0.3549843E-07 7 0.3538166E-08 8 0.2527274E-08 9 0.0000000E+00 v, j, mj = 0 5 1 0 0.1488252E-12 1 0.1560005E-01 2 0.7868324E-02 3 0.2158707E-02 4 0.4302190E-04 5 0.2128544E-05 6 0.8175565E-07 7 0.7292360E-08 8 0.1000693E-08 9 0.0000000E+00 v, j, mj = 0 5 2 0 0.1224187E-10 1 0.4088644E-01 2 0.1116255E-01 3 0.5893716E-03 4 0.6759729E-04 5 0.3601669E-05 6 0.1126505E-06 7 0.7606345E-08 8 0.1767393E-08 9 0.0000000E+00 v, j, mj = 0 5 3 0 0.2570637E-05 1 0.3786646E-02 2 0.1430069E-01 3 0.3348718E-02 4 0.2220673E-03 5 0.9133122E-05 6 0.2784065E-06 7 0.7932272E-08 8 0.6990313E-08 9 0.0000000E+00 v, j, mj = 0 5 4 0 0.1252319E-11 1 0.2413477E-04 2 0.1728192E-02 3 0.1757669E-02 4 0.3269791E-03 5 0.1521475E-04 6 0.1262141E-06 7 0.7565576E-08 8 0.3643061E-09 9 0.0000000E+00 v, j, mj = 0 5 5 0 0.1102676E-12 1 0.6450002E-06 2 0.8189545E-04 3 0.2835176E-03 4 0.1501878E-03 5 0.1441042E-04 6 0.8702677E-07 7 0.2510784E-07 8 0.1240010E-07 9 0.0000000E+00 v, j, mj = 0 7 -7 0 0.5811750E-15 1 0.4529011E-08 2 0.1109063E-07 3 0.1865949E-07 4 0.5718482E-08 5 0.7579610E-08 6 0.1239471E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -6 0 0.6756644E-07 1 0.3014182E-07 2 0.1781392E-07 3 0.6400628E-07 4 0.1181719E-07 5 0.1646868E-07 6 0.6504866E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -5 0 0.2245560E-14 1 0.2164047E-07 2 0.7115800E-07 3 0.1388894E-06 4 0.1438524E-07 5 0.1182173E-07 6 0.1823636E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -4 0 0.1927506E-13 1 0.3235989E-05 2 0.4562587E-05 3 0.1145404E-05 4 0.8008322E-07 5 0.1183442E-07 6 0.1447433E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -3 0 0.4545418E-07 1 0.2813856E-04 2 0.7270430E-04 3 0.1524418E-04 4 0.2902970E-06 5 0.3245189E-07 6 0.1467780E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -2 0 0.1343643E-12 1 0.5732225E-04 2 0.9930312E-04 3 0.1115797E-04 4 0.7479517E-07 5 0.1406005E-07 6 0.4374444E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -1 0 0.6355502E-14 1 0.2554883E-02 2 0.3560002E-04 3 0.1607077E-04 4 0.6531691E-06 5 0.1846386E-06 6 0.1864412E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 0 0 0.1603168E-01 1 0.5789530E-02 2 0.5409524E-04 3 0.1529538E-04 4 0.5648160E-06 5 0.4372337E-07 6 0.7950996E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 1 0 0.3733131E-14 1 0.2554883E-02 2 0.3560001E-04 3 0.1607078E-04 4 0.6531677E-06 5 0.1846387E-06 6 0.1864413E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 2 0 0.1335003E-12 1 0.5732235E-04 2 0.9930312E-04 3 0.1115799E-04 4 0.7479518E-07 5 0.1405994E-07 6 0.4374460E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 3 0 0.4550059E-07 1 0.2813858E-04 2 0.7270431E-04 3 0.1524418E-04 4 0.2902969E-06 5 0.3245191E-07 6 0.1467765E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 4 0 0.1897422E-13 1 0.3236027E-05 2 0.4562584E-05 3 0.1145403E-05 4 0.8008334E-07 5 0.1183439E-07 6 0.1447442E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 5 0 0.8173245E-15 1 0.2163965E-07 2 0.7115295E-07 3 0.1388893E-06 4 0.1438514E-07 5 0.1182174E-07 6 0.1823630E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 6 0 0.6756641E-07 1 0.3014180E-07 2 0.1780940E-07 3 0.6400640E-07 4 0.1181711E-07 5 0.1646870E-07 6 0.6504925E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 7 0 0.1425785E-15 1 0.4528492E-08 2 0.1109087E-07 3 0.1865973E-07 4 0.5718553E-08 5 0.7579589E-08 6 0.1239465E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -9 0 0.1110089E-10 1 0.1428432E-10 2 0.6565438E-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 -8 0 0.2948440E-16 1 0.1040883E-09 2 0.6593932E-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 -7 0 0.2678847E-18 1 0.3422028E-09 2 0.1571685E-09 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -6 0 0.6376111E-09 1 0.2699977E-08 2 0.3946728E-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 -5 0 0.1595028E-17 1 0.3897445E-09 2 0.1644494E-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 -4 0 0.5505424E-17 1 0.4467570E-08 2 0.4321302E-09 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -3 0 0.3791993E-10 1 0.4442497E-08 2 0.9508978E-09 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -2 0 0.6420405E-16 1 0.4424743E-07 2 0.6559626E-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 0.1303216E-17 1 0.5233550E-07 2 0.7341808E-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 0 0 0.1937706E-06 1 0.1453120E-06 2 0.2059845E-06 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 1 0 0.2162730E-17 1 0.5233579E-07 2 0.7341856E-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 0.6179583E-16 1 0.4424738E-07 2 0.6559648E-08 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 3 0 0.3792592E-10 1 0.4442445E-08 2 0.9508934E-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 4 0 0.4421626E-17 1 0.4467572E-08 2 0.4321254E-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 5 0 0.7181639E-18 1 0.3897461E-09 2 0.1644509E-09 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 6 0 0.6376052E-09 1 0.2699982E-08 2 0.3946737E-09 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 7 0 0.2716498E-19 1 0.3422011E-09 2 0.1571687E-09 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 8 0 0.2206098E-16 1 0.1040898E-09 2 0.6593964E-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 9 0 0.1110034E-10 1 0.1428442E-10 2 0.6565410E-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 = 1 1 -1 0 0.4714557E-18 1 0.6723769E-06 2 0.2144447E-06 3 0.7973571E-08 4 0.5595641E-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 0.1276110E-05 1 0.1697570E-05 2 0.5335680E-07 3 0.3429933E-07 4 0.2275079E-07 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 1 1 0 0.6950624E-17 1 0.6723770E-06 2 0.2144447E-06 3 0.7973587E-08 4 0.5595631E-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 0.3048059E-09 1 0.6790796E-10 2 0.1471074E-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 0.3700536E-17 1 0.5820904E-08 2 0.1322045E-07 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 -1 0 0.8751878E-18 1 0.2473099E-07 2 0.3664056E-07 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 0 0 0.1974667E-06 1 0.8692453E-07 2 0.1294733E-07 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 1 0 0.1993908E-17 1 0.2473102E-07 2 0.3664059E-07 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 2 0 0.1065650E-17 1 0.5820939E-08 2 0.1322048E-07 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 3 0 0.3048090E-09 1 0.6791001E-10 2 0.1471062E-08 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 sum of the probabilities = 1.0033864 average vibrational energy (ev) = 0.000003 average rotational energy (ev) = 0.176807 average diffraction energy (ev) = 0.009953 the reaction probability = -0.3386431D-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 0.1000604E+01 0.1323497E-01 0.1830531E+00 1 0.2142816E-03 0.1442292E-01 0.1794200E-01 ************************************ diffraction summed probabilities ************************************ v irot j m probability 0 21 1 -1 0.9909464E-02 0 26 1 0 0.4205142E-01 0 31 1 1 0.9909463E-02 0 13 3 -3 0.4953493E-02 0 17 3 -2 0.2751806E-01 0 22 3 -1 0.2034403E-01 0 27 3 0 0.1108641E+00 0 32 3 1 0.2034403E-01 0 36 3 2 0.2751805E-01 0 40 3 3 0.4953493E-02 0 7 5 -5 0.2333785E-02 0 10 5 -4 0.9986646E-02 0 14 5 -3 0.3972734E-01 0 18 5 -2 0.6579750E-01 0 23 5 -1 0.3833826E-01 0 28 5 0 0.3528437E+00 0 33 5 1 0.3833826E-01 0 37 5 2 0.6579750E-01 0 41 5 3 0.3972734E-01 0 44 5 4 0.9986647E-02 0 47 5 5 0.2333785E-02 0 3 7 -7 0.2241572E-06 0 5 7 -6 0.4077755E-06 0 8 7 -5 0.3716240E-05 0 11 7 -4 0.7521229E-04 0 15 7 -3 0.5973390E-03 0 19 7 -2 0.6213478E-03 0 24 7 -1 0.6851496E-02 0 29 7 0 0.4072062E-01 0 34 7 1 0.6851497E-02 0 38 7 2 0.6213480E-03 0 42 7 3 0.5973392E-03 0 45 7 4 0.7521240E-04 0 48 7 5 0.3716255E-05 0 50 7 6 0.4077303E-06 0 52 7 7 0.2241357E-06 0 1 9 -9 0.1356609E-08 0 2 9 -8 0.2932903E-08 0 4 9 -7 0.1158946E-08 0 6 9 -6 0.1147450E-07 0 9 9 -5 0.8120118E-08 0 12 9 -4 0.2099070E-07 0 16 9 -3 0.3249749E-07 0 20 9 -2 0.8125470E-07 0 25 9 -1 0.8963010E-06 0 30 9 0 0.5546341E-05 0 35 9 1 0.8963001E-06 0 39 9 2 0.8125503E-07 0 43 9 3 0.3249755E-07 0 46 9 4 0.2099077E-07 0 49 9 5 0.8120176E-08 0 51 9 6 0.1147452E-07 0 53 9 7 0.1158931E-08 0 54 9 8 0.2932893E-08 0 55 9 9 0.1356612E-08 1 21 1 -1 0.8149220E-04 1 26 1 0 0.4092692E-04 1 31 1 1 0.8149221E-04 1 13 3 -3 0.1916370E-07 1 17 3 -2 0.8549154E-07 1 22 3 -1 0.1947751E-05 1 27 3 0 0.6265481E-05 1 32 3 1 0.1947751E-05 1 36 3 2 0.8549143E-07 1 40 3 3 0.1916388E-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 0.4636442E-12 1 0.5193558E-02 2 0.3637830E-02 3 0.2858155E-03 4 0.3522694E-03 5 0.3143491E-03 6 0.1128580E-03 7 0.1253263E-04 8 0.2503130E-06 9 0.1628377E-08 v, j, mj = 0 1 0 0 0.2247840E-02 1 0.2777386E-01 2 0.8961069E-02 3 0.1842533E-02 4 0.1112523E-02 5 0.1079735E-03 6 0.5442984E-05 7 0.1588614E-06 8 0.1668955E-07 9 0.1341586E-08 v, j, mj = 0 1 1 0 0.1369295E-11 1 0.5193558E-02 2 0.3637829E-02 3 0.2858153E-03 4 0.3522688E-03 5 0.3143489E-03 6 0.1128580E-03 7 0.1253262E-04 8 0.2503125E-06 9 0.1628376E-08 v, j, mj = 0 3 -3 0 0.1249280E-05 1 0.4344983E-03 2 0.7947732E-03 3 0.2241060E-02 4 0.1120719E-02 5 0.3192999E-03 6 0.4054005E-04 7 0.1338041E-05 8 0.1318792E-07 9 0.2507842E-08 v, j, mj = 0 3 -2 0 0.2545648E-10 1 0.1336684E-01 2 0.9336517E-02 3 0.3739526E-02 4 0.1000116E-02 5 0.7319179E-04 6 0.1778464E-05 7 0.7918251E-07 8 0.5345725E-08 9 0.1623573E-08 v, j, mj = 0 3 -1 0 0.1128941E-13 1 0.1009262E-01 2 0.7425881E-02 3 0.1639493E-02 4 0.1001655E-02 5 0.1628722E-03 6 0.2038337E-04 7 0.1108163E-05 8 0.2051411E-07 9 0.4163862E-08 v, j, mj = 0 3 0 0 0.8691108E-01 1 0.1528355E-01 2 0.8131916E-02 3 0.4041218E-03 4 0.1245086E-03 5 0.8446985E-05 6 0.3697396E-06 7 0.5255141E-07 8 0.2730054E-07 9 0.2919405E-08 v, j, mj = 0 3 1 0 0.5334726E-12 1 0.1009262E-01 2 0.7425879E-02 3 0.1639491E-02 4 0.1001654E-02 5 0.1628723E-03 6 0.2038334E-04 7 0.1108162E-05 8 0.2051409E-07 9 0.4163849E-08 v, j, mj = 0 3 2 0 0.2485659E-10 1 0.1336684E-01 2 0.9336515E-02 3 0.3739524E-02 4 0.1000116E-02 5 0.7319169E-04 6 0.1778494E-05 7 0.7918205E-07 8 0.5345747E-08 9 0.1623564E-08 v, j, mj = 0 3 3 0 0.1250329E-05 1 0.4344980E-03 2 0.7947718E-03 3 0.2241058E-02 4 0.1120721E-02 5 0.3192998E-03 6 0.4054006E-04 7 0.1338039E-05 8 0.1318794E-07 9 0.2507831E-08 v, j, mj = 0 5 -5 0 0.4189413E-12 1 0.9438176E-05 2 0.3983696E-03 3 0.1167920E-02 4 0.6498251E-03 5 0.1049414E-03 6 0.3222482E-05 7 0.6284449E-07 8 0.5221609E-08 9 0.0000000E+00 v, j, mj = 0 5 -4 0 0.7503472E-11 1 0.1056633E-03 2 0.5589064E-02 3 0.3610729E-02 4 0.6290706E-03 5 0.5096825E-04 6 0.1138631E-05 7 0.9560271E-08 8 0.2009001E-08 9 0.0000000E+00 v, j, mj = 0 5 -3 0 0.6809176E-05 1 0.9033708E-02 2 0.2682805E-01 3 0.3677993E-02 4 0.1661251E-03 5 0.1412720E-04 6 0.5187498E-06 7 0.1067271E-07 8 0.4604461E-08 9 0.0000000E+00 v, j, mj = 0 5 -2 0 0.5546629E-10 1 0.5446750E-01 2 0.9345227E-02 3 0.1879542E-02 4 0.9507684E-04 5 0.9798602E-05 6 0.3469142E-06 7 0.7140429E-08 8 0.2602687E-08 9 0.0000000E+00 v, j, mj = 0 5 -1 0 0.4113790E-12 1 0.1378548E-01 2 0.2183977E-01 3 0.2656484E-02 4 0.4763517E-04 5 0.8320288E-05 6 0.5534312E-06 7 0.1112360E-07 8 0.2049424E-08 9 0.0000000E+00 v, j, mj = 0 5 0 0 0.2635867E+00 1 0.7458252E-01 2 0.9907068E-02 3 0.4722577E-02 4 0.4352640E-04 5 0.1244265E-05 6 0.5852785E-07 7 0.7863420E-08 8 0.4176805E-08 9 0.0000000E+00 v, j, mj = 0 5 1 0 0.3639273E-12 1 0.1378548E-01 2 0.2183978E-01 3 0.2656483E-02 4 0.4763524E-04 5 0.8320282E-05 6 0.5534298E-06 7 0.1112338E-07 8 0.2049418E-08 9 0.0000000E+00 v, j, mj = 0 5 2 0 0.5524763E-10 1 0.5446750E-01 2 0.9345227E-02 3 0.1879543E-02 4 0.9507686E-04 5 0.9798618E-05 6 0.3469101E-06 7 0.7140515E-08 8 0.2602701E-08 9 0.0000000E+00 v, j, mj = 0 5 3 0 0.6803735E-05 1 0.9033708E-02 2 0.2682805E-01 3 0.3677995E-02 4 0.1661252E-03 5 0.1412720E-04 6 0.5187460E-06 7 0.1067268E-07 8 0.4604470E-08 9 0.0000000E+00 v, j, mj = 0 5 4 0 0.7265347E-11 1 0.1056617E-03 2 0.5589065E-02 3 0.3610731E-02 4 0.6290710E-03 5 0.5096826E-04 6 0.1138633E-05 7 0.9560396E-08 8 0.2009020E-08 9 0.0000000E+00 v, j, mj = 0 5 5 0 0.6086979E-12 1 0.9437796E-05 2 0.3983702E-03 3 0.1167920E-02 4 0.6498252E-03 5 0.1049414E-03 6 0.3222479E-05 7 0.6284439E-07 8 0.5221610E-08 9 0.0000000E+00 v, j, mj = 0 7 -7 0 0.6585740E-14 1 0.5154825E-07 2 0.5699265E-07 3 0.7553762E-07 4 0.2160677E-07 5 0.1429581E-07 6 0.3247949E-08 7 0.9281326E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -6 0 0.1118425E-06 1 0.4861495E-07 2 0.9803101E-07 3 0.1111442E-06 4 0.3014891E-07 5 0.5283129E-08 6 0.2582272E-08 7 0.1284617E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -5 0 0.2382451E-13 1 0.3142521E-06 2 0.1402475E-05 3 0.1808488E-05 4 0.1578031E-06 5 0.2787121E-07 6 0.5051766E-08 7 0.2988758E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -4 0 0.2729910E-12 1 0.1193169E-04 2 0.4797797E-04 3 0.1435077E-04 4 0.9288116E-06 5 0.1863156E-07 6 0.4220367E-08 7 0.1956386E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -3 0 0.1506025E-07 1 0.1424431E-03 2 0.3910343E-03 3 0.6199324E-04 4 0.1809324E-05 5 0.3745616E-07 6 0.6249929E-08 7 0.2198175E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -2 0 0.1238756E-11 1 0.2078269E-03 2 0.3721149E-03 3 0.4094436E-04 4 0.4436135E-06 5 0.1303114E-07 6 0.4701621E-08 7 0.2942578E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -1 0 0.4166045E-13 1 0.6567471E-02 2 0.1508568E-03 3 0.1307184E-03 4 0.2297188E-05 5 0.1222233E-06 6 0.3073962E-07 7 0.2752210E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 0 0 0.3302663E-01 1 0.6712714E-02 2 0.9054661E-03 3 0.7344816E-04 4 0.2316106E-05 5 0.3523562E-07 6 0.8228892E-08 7 0.9291063E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 1 0 0.8523284E-14 1 0.6567471E-02 2 0.1508569E-03 3 0.1307185E-03 4 0.2297180E-05 5 0.1222231E-06 6 0.3073961E-07 7 0.2752250E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 2 0 0.1254292E-11 1 0.2078270E-03 2 0.3721148E-03 3 0.4094442E-04 4 0.4436158E-06 5 0.1303120E-07 6 0.4701560E-08 7 0.2942548E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 3 0 0.1506737E-07 1 0.1424432E-03 2 0.3910344E-03 3 0.6199324E-04 4 0.1809325E-05 5 0.3745618E-07 6 0.6249916E-08 7 0.2198156E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 4 0 0.2730886E-12 1 0.1193182E-04 2 0.4797794E-04 3 0.1435078E-04 4 0.9288136E-06 5 0.1863154E-07 6 0.4220402E-08 7 0.1956375E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 5 0 0.9304838E-14 1 0.3142915E-06 2 0.1402457E-05 3 0.1808481E-05 4 0.1578037E-06 5 0.2787140E-07 6 0.5051730E-08 7 0.2988700E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 6 0 0.1118420E-06 1 0.4861308E-07 2 0.9799092E-07 3 0.1111422E-06 4 0.3014820E-07 5 0.5283246E-08 6 0.2582255E-08 7 0.1284605E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 7 0 0.9338774E-15 1 0.5154000E-07 2 0.5697934E-07 3 0.7553511E-07 4 0.2160936E-07 5 0.1429575E-07 6 0.3247971E-08 7 0.9281307E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -9 0 0.1012954E-10 1 0.9660417E-10 2 0.4050749E-09 3 0.8448003E-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 -8 0 0.8034950E-17 1 0.9129536E-10 2 0.1057302E-08 3 0.1784305E-08 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -7 0 0.4205967E-17 1 0.2526205E-09 2 0.6727422E-09 3 0.2335831E-09 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -6 0 0.3796011E-08 1 0.2969798E-08 2 0.3124547E-08 3 0.1584140E-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 -5 0 0.2778418E-16 1 0.7709449E-09 2 0.5245710E-08 3 0.2103463E-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 -4 0 0.1394242E-17 1 0.8472691E-08 2 0.9767338E-08 3 0.2750672E-08 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -3 0 0.5119519E-09 1 0.1557662E-08 2 0.7883686E-08 3 0.2254419E-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 -2 0 0.2112145E-16 1 0.2215271E-07 2 0.3069781E-07 3 0.2840418E-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 0.1799874E-16 1 0.5982802E-06 2 0.8908594E-07 3 0.2089349E-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 0 0 0.2691520E-05 1 0.2369859E-05 2 0.4557745E-06 3 0.2918765E-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 0.1099413E-16 1 0.5982791E-06 2 0.8908597E-07 3 0.2089351E-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 0.2565790E-16 1 0.2215258E-07 2 0.3069796E-07 3 0.2840449E-07 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 3 0 0.5118519E-09 1 0.1557629E-08 2 0.7883846E-08 3 0.2254422E-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 0.6013881E-17 1 0.8472739E-08 2 0.9767391E-08 3 0.2750637E-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 5 0 0.6794969E-17 1 0.7709633E-09 2 0.5245735E-08 3 0.2103478E-08 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 6 0 0.3796020E-08 1 0.2969803E-08 2 0.3124568E-08 3 0.1584128E-08 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 7 0 0.2786085E-17 1 0.2526172E-09 2 0.6727292E-09 3 0.2335849E-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 8 0 0.5535354E-17 1 0.9129637E-10 2 0.1057293E-08 3 0.1784304E-08 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 9 0 0.1013086E-10 1 0.9660454E-10 2 0.4050753E-09 3 0.8448014E-09 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 1 -1 0 0.3247373E-16 1 0.4774352E-04 2 0.3176554E-04 3 0.1962964E-05 4 0.1869802E-07 5 0.1477616E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 1 0 0 0.1798571E-04 1 0.2211505E-04 2 0.5279062E-06 3 0.2793866E-06 4 0.1385130E-07 5 0.5008980E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 1 1 0 0.8301529E-17 1 0.4774353E-04 2 0.3176554E-04 3 0.1962965E-05 4 0.1869805E-07 5 0.1477597E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 -3 0 0.2371793E-08 1 0.2047272E-08 2 0.5013958E-08 3 0.9335437E-08 4 0.3952398E-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 0.5164928E-16 1 0.3485779E-07 2 0.1635560E-07 3 0.3307609E-07 4 0.1202067E-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 0.5360552E-17 1 0.1173928E-05 2 0.7188860E-06 3 0.5428622E-07 4 0.6504799E-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 0.3289621E-05 1 0.2846544E-05 2 0.7939377E-07 3 0.4736083E-07 4 0.2561224E-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 0.1776041E-16 1 0.1173929E-05 2 0.7188858E-06 3 0.5428619E-07 4 0.6504797E-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 0.1707305E-15 1 0.3485761E-07 2 0.1635570E-07 3 0.3307606E-07 4 0.1202065E-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 0.2371944E-08 1 0.2047243E-08 2 0.5014010E-08 3 0.9335443E-08 4 0.3952378E-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 = 1.0008184 average vibrational energy (ev) = 0.000109 average rotational energy (ev) = 0.183018 average diffraction energy (ev) = 0.013235 the reaction probability = -0.8183730D-03 etrans(icomin)= 0.151114 etrans(icomax)= 0.548327 etrans= 0.550000 CPU TIMES Total computation 91888.5313 (a) ... Propagating the wavefunction 89946.9272 (b) Setup time 1716.7955 Saving the wave function for rerun 41.6924 Calculating averages 5.0960 Calculating and saving BK-coeffs 15.3509 Asymptotic analysis 3.7075 Saving the flux coefficients 0.0000 Flux analysis 0.0000 ----------------------------------------------------- Sum 91729.5695 (a) ... FFTs along X and Y 4275.0914 Kinetic energy operation along Z 24585.1113 Kinetic energy operation along r 18601.0843 Potential energy multiplication 11183.1160 Legengre transforms 24822.3382 Shifting the wavefunction 2012.0000 Kinetic energy multiplications (xy) 413.8119 Absorbing the wavefunction 488.3932 Projection formalism 15.7217 Operations on specular grid 0.1702 ----------------------------------------------------- Sum 86396.8381 (b) ... Potential initialisation time 0.0000 Potential setup time 1695.6783 FFTs along X 2202.8514 FFTs along Y 2072.2400 Time spent on FGH for asympwf 0.3990 Ending date and time: Tue Jul 23 00:03:57 CEST 2019