Starting date and time: Mon Jul 22 04:29:51 CEST 2019 Calculation run on nodes/processors: *** SPO-DVR program version 5.16 (Compiled using IFORT for X86 on Jul 5 2019 at 10:16:08) run on 20190722 at 042951.432 *** * 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: v0j5mj2-0.15eV-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: 2 * 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: 2 * 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 = 2 ... *** 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 = 0.24795532E-04 secs * Grids are setup! * 5-Mode arrays are allocated! * 4-Mode arrays are allocated! ******************************************************************************** INFO FROM SETTING UP THE INTERACTION POTENTIAL ******************************************************************************** * Setting up the Cu111_B86SRP68-DF2_Z8A_C3v PES... Number of points in Z for which the potential is calculated = 162 Number of points in r for which the potential is calculated = 56 Number of points in x for which the potential is calculated = 20 Number of points in y for which the potential is calculated = 20 Number of points in theta for which the potential is calculated = 13 Number of points in phi for which the potential is calculated = 56 iz = 1 iz = 2 iz = 3 iz = 4 iz = 5 iz = 6 iz = 7 iz = 8 iz = 9 iz = 10 iz = 11 iz = 12 iz = 13 iz = 14 iz = 15 iz = 16 iz = 17 iz = 18 iz = 19 iz = 20 iz = 21 iz = 22 iz = 23 iz = 24 iz = 25 iz = 26 iz = 27 iz = 28 iz = 29 iz = 30 iz = 31 iz = 32 iz = 33 iz = 34 iz = 35 iz = 36 iz = 37 iz = 38 iz = 39 iz = 40 iz = 41 iz = 42 iz = 43 iz = 44 iz = 45 iz = 46 iz = 47 iz = 48 iz = 49 iz = 50 iz = 51 iz = 52 iz = 53 iz = 54 iz = 55 iz = 56 iz = 57 iz = 58 iz = 59 iz = 60 iz = 61 iz = 62 iz = 63 iz = 64 iz = 65 iz = 66 iz = 67 iz = 68 iz = 69 iz = 70 iz = 71 iz = 72 iz = 73 iz = 74 iz = 75 iz = 76 iz = 77 iz = 78 iz = 79 iz = 80 iz = 81 iz = 82 iz = 83 iz = 84 iz = 85 iz = 86 iz = 87 iz = 88 iz = 89 iz = 90 iz = 91 iz = 92 iz = 93 iz = 94 iz = 95 iz = 96 iz = 97 iz = 98 iz = 99 iz = 100 iz = 101 iz = 102 iz = 103 iz = 104 iz = 105 iz = 106 iz = 107 iz = 108 iz = 109 iz = 110 iz = 111 iz = 112 iz = 113 iz = 114 iz = 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 = 145 iz = 152 iz = 149 iz = 156 iz = 153 iz = 160 iz = 157 iz = 161 iz = 146 iz = 150 iz = 154 iz = 158 iz = 143 iz = 162 iz = 147 iz = 151 iz = 155 iz = 159 Saving Cu111_B86SRP68-DF2_Z8A_C3v PES into file : ./Cu111_B86SRP68-DF2_Z8A_C3v_162_-1.000_0.100_56_0.800_0.150_20_20_4.864_25_25. pes WARNING in routine SetupThePES in module Potential: vdvr contains more indices than can be represented by a four byte integer. Therefore the result of the inquiry 'SIZE(vdvr)' will be wrong! Program continues with dirty trick fix. Beware! * Imposing a maximum on the potential; vmax (eV) = 0.10000000E+02 Total time setting up the potential = 0.16982264E+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 = 197 ******************************************************************************** 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 = 9757 ******************************************************************************** INFO FROM SETTING UP THE OPTICAL POTENTIALS ******************************************************************************** * Optical potential in Z absorbs with coefficient: 0.83111374E-02 * Optical potential in r absorbs with coefficient: 0.93569763E-02 * Optical potential in Z specular absorbs with coefficient: 0.64071284E-02 ******************************************************************************** INFO FROM SETTING UP THE GRID ENERGIES ******************************************************************************** * Maximum diffraction order included on the momentum grid = 0 * Number of diffraction channels included = 0 * Number of diffraction channels excluded = 0 * initial parallel energy (eV) = 0.00000000E+00 ******************************************************************************** INFO FROM SETTING UP THE KINETIC ENERGY OPERATORS ******************************************************************************** ******************************************************************************** INFO FROM SETTING UP THE WAVE FUNCTION ******************************************************************************** * Norm initial wave packet (Z,r) = 0.10000000E+01 * Absolute value of the wave function in momentum space: - at k = 0 0.20426229E-04 - at the end/beginning of the grid 0.20158188E-14 - maximum value = 0.52335254E+00 * Grid point boundaries between which initial wave packet must be located: - Low boundary (asymptotic value of Z), iLow = 163 - High boundary (start of opt. pot on spec. grid), iHigh = 208 * Norm of the initial wave packet between iLow and iHigh = 0.10000000E+01 ******************************************************************************** INFO FROM SETTING UP THE ANALYSIS ******************************************************************************** * Tolerance for fixing the dynamical analysis surface on the specular grid = 0.10000000E-08 * Maximum j in analysis: jana = 10 * Maximum v in analysis: nviba = 2 * Maximum diffraction order in analysis: mdifa = 9 ******************************************************************************** INFO FROM SETTING UP THE SPLIT OPERATOR PROPAGATOR ******************************************************************************** ----- Split operator propagator set up ----- ******************************************************************************** INFO ON PROPAGATING THE WAVE PACKET ******************************************************************************** time norm z r rest norm 0.00000000E+00 1.00000000 17.40000000 1.49161912 0.10000000E+01 0.50000000E+02 0.99999997 17.27377086 1.49162604 0.99999996E+00 0.10000000E+03 0.99999993 17.14754172 1.49163281 0.99999991E+00 0.15000000E+03 0.99999990 17.02131258 1.49163382 0.99999973E+00 0.20000000E+03 0.99999986 16.89508344 1.49163345 0.99999844E+00 0.25000000E+03 0.99999983 16.76885430 1.49163175 0.99998972E+00 0.30000000E+03 0.99999979 16.64262516 1.49162542 0.99993915E+00 0.35000000E+03 0.99999976 16.51639602 1.49161944 0.99969706E+00 0.40000000E+03 0.99999972 16.39016687 1.49162630 0.99874770E+00 0.45000000E+03 0.99999969 16.26393773 1.49163397 0.99569651E+00 0.50000000E+03 0.99999965 16.13770858 1.49163404 0.98760698E+00 0.55000000E+03 0.99999962 16.01147941 1.49163297 0.96972233E+00 0.60000000E+03 0.99999959 15.88525016 1.49163077 0.93629591E+00 0.65000000E+03 0.99999955 15.75902072 1.49162486 0.88265966E+00 0.70000000E+03 0.99999952 15.63279086 1.49161994 0.80756244E+00 0.75000000E+03 0.99999948 15.50656013 1.49162651 0.71431835E+00 0.80000000E+03 0.99999945 15.38032789 1.49163529 0.61002982E+00 0.85000000E+03 0.99999941 15.25409318 1.49163398 0.50340967E+00 0.90000000E+03 0.99999938 15.12785481 1.49163241 0.40241919E+00 0.95000000E+03 0.99999934 15.00161134 1.49162985 0.31270916E+00 0.10000000E+04 0.99999931 14.87536121 1.49162435 0.23716166E+00 0.10500000E+04 0.99999927 14.74910281 1.49162049 0.17627124E+00 0.11000000E+04 0.99999924 14.62283452 1.49162698 0.12890996E+00 0.11500000E+04 0.99999920 14.49655481 1.49163621 0.93104718E-01 0.12000000E+04 0.99999917 14.37026219 1.49163425 0.66633341E-01 0.12500000E+04 0.99999914 14.24395527 1.49163180 0.47394688E-01 0.13000000E+04 0.99999910 14.11763267 1.49162940 0.33589128E-01 0.13500000E+04 0.99999907 13.99129299 1.49162496 0.23771115E-01 0.14000000E+04 0.99999903 13.86493477 1.49162296 0.16829997E-01 0.14500000E+04 0.99999900 13.73855642 1.49163102 0.11939064E-01 0.15000000E+04 0.99999896 13.61215614 1.49164257 0.84968574E-02 0.15500000E+04 0.99999893 13.48573190 1.49164393 0.60728862E-02 0.16000000E+04 0.99999889 13.35928137 1.49164478 0.43625335E-02 0.16500000E+04 0.99999886 13.23280187 1.49164970 0.31518903E-02 0.17000000E+04 0.99999882 13.10629035 1.49165384 0.22914434E-02 0.17500000E+04 0.99999879 12.97974338 1.49166343 0.16769315E-02 0.18000000E+04 0.99999875 12.85315713 1.49168428 0.12356802E-02 0.18500000E+04 0.99999872 12.72652739 1.49171009 0.91697975E-03 0.19000000E+04 0.99999869 12.59984963 1.49172794 0.68536653E-03 0.19500000E+04 0.99999865 12.47311899 1.49174559 0.51595992E-03 0.20000000E+04 0.99999862 12.34633035 1.49177086 0.39123466E-03 0.20500000E+04 0.99999858 12.21947839 1.49179605 0.29879139E-03 0.21000000E+04 0.99999855 12.09255759 1.49182815 0.22981273E-03 0.21500000E+04 0.99999851 11.96556232 1.49187051 0.17799589E-03 0.22000000E+04 0.99999848 11.83848679 1.49191749 0.13881034E-03 0.22500000E+04 0.99999844 11.71132517 1.49195615 0.10898048E-03 0.23000000E+04 0.99999841 11.58407150 1.49199279 0.86124742E-04 0.23500000E+04 0.99999837 11.45671979 1.49203754 0.68500088E-04 0.24000000E+04 0.99999834 11.32926395 1.49208189 0.54823680E-04 0.24500000E+04 0.99999830 11.20169786 1.49213119 0.44145519E-04 0.25000000E+04 0.99999827 11.07401534 1.49218964 0.35757889E-04 0.25500000E+04 0.99999824 10.94621019 1.49225054 0.29130484E-04 0.26000000E+04 0.99999820 10.81827622 1.49230249 0.23863654E-04 0.26500000E+04 0.99999817 10.69020730 1.49235124 0.19654267E-04 0.27000000E+04 0.99999813 10.56199739 1.49240800 0.16272025E-04 0.27500000E+04 0.99999810 10.43364068 1.49246558 0.13539788E-04 0.28000000E+04 0.99999806 10.30513162 1.49252634 0.11321293E-04 0.28500000E+04 0.99999803 10.17646511 1.49259711 0.95109827E-05 0.29000000E+04 0.99999799 10.04763661 1.49266897 0.80266500E-05 0.29500000E+04 0.99999796 9.91864232 1.49273380 0.68037224E-05 0.30000000E+04 0.99999792 9.78947943 1.49279567 0.57920203E-05 0.30500000E+04 0.99999789 9.66014630 1.49286778 0.49512571E-05 0.31000000E+04 0.99999785 9.53064279 1.49294476 0.42495828E-05 0.31500000E+04 0.99999782 9.40097052 1.49302589 0.36615576E-05 0.32000000E+04 0.99999778 9.27113328 1.49312105 0.31667898E-05 0.32500000E+04 0.99999775 9.14113734 1.49322124 0.27488677E-05 0.33000000E+04 0.99999771 9.01099190 1.49332074 0.23945142E-05 0.33500000E+04 0.99999768 8.88070958 1.49342454 0.20929286E-05 0.34000000E+04 0.99999764 8.75030685 1.49354823 0.18352961E-05 0.34500000E+04 0.99999761 8.61980459 1.49368950 0.16144221E-05 0.35000000E+04 0.99999757 8.48922865 1.49384779 0.14244363E-05 0.35500000E+04 0.99999754 8.35861037 1.49403561 0.12602948E-05 0.36000000E+04 0.99999750 8.22798726 1.49424857 0.11184880E-05 0.36500000E+04 0.99999746 8.09740351 1.49448314 0.99541686E-06 0.37000000E+04 0.99999742 7.96691065 1.49474977 0.88825677E-06 0.37500000E+04 0.99999739 7.83656815 1.49506579 0.79464660E-06 0.38000000E+04 0.99999735 7.70644396 1.49543618 0.71263454E-06 0.38500000E+04 0.99999731 7.57661503 1.49586120 0.64060782E-06 0.39000000E+04 0.99999727 7.44716784 1.49635619 0.57721493E-06 0.39500000E+04 0.99999723 7.31819878 1.49692364 0.52109772E-06 0.40000000E+04 0.99999719 7.18981447 1.49755984 0.47168357E-06 0.40500000E+04 0.99999714 7.06213203 1.49827879 0.42790183E-06 0.41000000E+04 0.99999709 6.93527916 1.49909584 0.38900371E-06 0.41500000E+04 0.99999703 6.80939417 1.50001726 0.35433269E-06 0.42000000E+04 0.99999695 6.68462579 1.50103782 0.32332820E-06 0.42500000E+04 0.99999686 6.56113290 1.50216543 0.29553928E-06 0.43000000E+04 0.99999674 6.43908411 1.50339768 0.27062001E-06 0.43500000E+04 0.99999657 6.31865717 1.50472049 0.24809491E-06 0.44000000E+04 0.99999635 6.20003828 1.50613395 0.22809587E-06 0.44500000E+04 0.99999605 6.08342124 1.50763878 0.21013261E-06 0.45000000E+04 0.99999564 5.96900649 1.50922564 0.19391687E-06 0.45500000E+04 0.99999509 5.85700001 1.51087360 0.17919878E-06 0.46000000E+04 0.99999436 5.74761216 1.51256853 0.16579349E-06 0.46500000E+04 0.99999340 5.64105645 1.51429384 0.15357453E-06 0.47000000E+04 0.99999216 5.53754818 1.51602091 0.14244655E-06 0.47500000E+04 0.99999059 5.43730311 1.51773221 0.13232234E-06 0.48000000E+04 0.99998861 5.34053599 1.51941720 0.12311694E-06 0.48500000E+04 0.99998618 5.24745910 1.52105757 0.11475124E-06 0.49000000E+04 0.99998323 5.15828075 1.52263035 0.10715025E-06 0.49500000E+04 0.99997970 5.07320378 1.52411621 0.10002943E-06 0.50000000E+04 0.99997555 4.99242417 1.52550012 0.93717992E-07 0.50500000E+04 0.99997073 4.91612965 1.52675839 0.87920497E-07 0.51000000E+04 0.99996521 4.84449843 1.52787453 0.82556678E-07 0.51500000E+04 0.99995898 4.77769806 1.52884099 0.77568099E-07 0.52000000E+04 0.99995205 4.71588430 1.52964746 0.72919448E-07 0.52500000E+04 0.99994442 4.65920003 1.53028413 0.68589679E-07 0.53000000E+04 0.99993613 4.60777413 1.53074768 0.64560201E-07 0.53500000E+04 0.99992723 4.56172048 1.53104417 0.60810802E-07 0.54000000E+04 0.99991777 4.52113682 1.53117912 0.57324384E-07 0.54500000E+04 0.99990782 4.48610395 1.53116225 0.54083731E-07 0.55000000E+04 0.99989747 4.45668487 1.53100903 0.50890688E-07 0.55500000E+04 0.99988681 4.43292445 1.53072888 0.48117701E-07 0.56000000E+04 0.99987593 4.41484924 1.53032401 0.45541024E-07 0.56500000E+04 0.99986496 4.40246778 1.52979511 0.43154872E-07 0.57000000E+04 0.99985399 4.39577112 1.52914536 0.40945962E-07 0.57500000E+04 0.99984315 4.39473363 1.52838013 0.38888826E-07 0.58000000E+04 0.99983256 4.39931382 1.52750998 0.36978612E-07 0.58500000E+04 0.99982231 4.40945525 1.52655425 0.35205909E-07 0.59000000E+04 0.99981252 4.42508742 1.52553166 0.33566039E-07 0.59500000E+04 0.99980327 4.44612660 1.52445508 0.32052420E-07 0.60000000E+04 0.99979464 4.47247676 1.52333267 0.30596380E-07 0.60500000E+04 0.99978669 4.50403043 1.52216996 0.29191009E-07 0.61000000E+04 0.99977943 4.54066962 1.52097257 0.27906944E-07 0.61500000E+04 0.99977290 4.58226679 1.51974931 0.26625106E-07 0.62000000E+04 0.99976709 4.62868577 1.51851578 0.25372156E-07 0.62500000E+04 0.99976197 4.67978282 1.51728830 0.24283558E-07 0.63000000E+04 0.99975751 4.73540768 1.51607759 0.23173537E-07 0.63500000E+04 0.99975364 4.79540476 1.51488764 0.21678508E-07 0.64000000E+04 0.99975032 4.85961431 1.51371685 0.21256442E-07 0.64500000E+04 0.99974747 4.92787354 1.51256206 0.21290269E-07 0.65000000E+04 0.99974502 5.00001761 1.51142389 0.19378544E-07 0.65500000E+04 0.99974292 5.07588061 1.51031069 0.18495819E-07 0.66000000E+04 0.99974111 5.15529624 1.50923504 0.21836996E-07 0.66500000E+04 0.99973953 5.23809863 1.50820589 0.23392115E-07 0.67000000E+04 0.99973815 5.32412300 1.50722458 0.21391468E-07 ==> ZAnalysis on specular channel fixed at Z = 0.16800000E+02 0.67500000E+04 0.99973691 5.41320635 1.50628507 0.27800841E-07 0.68000000E+04 0.99973581 5.50518816 1.50537870 0.44151863E-07 0.68500000E+04 0.99973480 5.59991095 1.50450078 0.54890053E-07 0.69000000E+04 0.99973387 5.69722084 1.50365465 0.63876519E-07 0.69500000E+04 0.99973300 5.79696787 1.50284964 0.95294034E-07 0.70000000E+04 0.99973215 5.89900641 1.50209351 0.14566981E-06 0.70500000E+04 0.99973131 6.00319533 1.50138684 0.18834066E-06 0.71000000E+04 0.99973044 6.10939831 1.50072243 0.23012901E-06 0.71500000E+04 0.99972949 6.21748397 1.50008973 0.30244609E-06 0.72000000E+04 0.99972840 6.32732601 1.49948170 0.39773424E-06 0.72500000E+04 0.99972712 6.43880334 1.49889900 0.47842429E-06 0.73000000E+04 0.99972554 6.55179999 1.49834877 0.54478331E-06 0.73500000E+04 0.99972353 6.66620512 1.49783772 0.62958926E-06 0.74000000E+04 0.99972092 6.78191283 1.49736601 0.73036946E-06 0.74500000E+04 0.99971750 6.89882201 1.49692671 0.81299726E-06 0.75000000E+04 0.99971294 7.01683610 1.49651016 0.88558878E-06 0.75500000E+04 0.99970683 7.13586277 1.49610989 0.10077974E-05 0.76000000E+04 0.99969862 7.25581357 1.49572650 0.12179929E-05 0.76500000E+04 0.99968756 7.37660343 1.49536642 0.15145871E-05 0.77000000E+04 0.99967267 7.49815014 1.49503566 0.19355542E-05 0.77500000E+04 0.99965268 7.62037373 1.49473376 0.25987816E-05 0.78000000E+04 0.99962593 7.74319583 1.49445362 0.36141439E-05 0.78500000E+04 0.99959035 7.86653898 1.49418634 0.49862235E-05 0.79000000E+04 0.99954331 7.99032599 1.49392663 0.66508372E-05 0.79500000E+04 0.99948160 8.11447923 1.49367616 0.85769172E-05 0.80000000E+04 0.99940133 8.23892015 1.49344195 0.10759781E-04 0.80500000E+04 0.99929783 8.36356871 1.49323013 0.13099981E-04 0.81000000E+04 0.99916565 8.48834306 1.49304007 0.15346789E-04 0.81500000E+04 0.99899848 8.61315937 1.49286484 0.17207648E-04 0.82000000E+04 0.99878914 8.73793175 1.49269620 0.18518518E-04 0.82500000E+04 0.99852954 8.86257238 1.49252971 0.19337985E-04 0.83000000E+04 0.99821073 8.98699178 1.49236759 0.19986157E-04 0.83500000E+04 0.99782289 9.11109906 1.49221705 0.21118584E-04 0.84000000E+04 0.99735537 9.23480235 1.49208407 0.23824884E-04 0.84500000E+04 0.99679670 9.35800911 1.49196800 0.29672888E-04 0.85000000E+04 0.99613466 9.48062657 1.49186226 0.40683334E-04 0.85500000E+04 0.99535627 9.60256200 1.49175973 0.59315816E-04 0.86000000E+04 0.99444785 9.72372305 1.49165728 0.88510014E-04 0.86500000E+04 0.99339508 9.84401805 1.49155784 0.13166956E-03 0.87000000E+04 0.99218302 9.96335631 1.49146844 0.19250009E-03 0.87500000E+04 0.99079618 10.08164853 1.49139426 0.27479875E-03 0.88000000E+04 0.98921866 10.19880719 1.49133375 0.38238448E-03 0.88500000E+04 0.98743423 10.31474720 1.49127986 0.51932092E-03 0.89000000E+04 0.98542653 10.42938667 1.49122570 0.69032325E-03 0.89500000E+04 0.98317927 10.54264787 1.49116901 0.90104679E-03 0.90000000E+04 0.98067654 10.65445837 1.49111362 0.11580828E-02 0.90500000E+04 0.97790306 10.76475238 1.49106717 0.14686802E-02 0.91000000E+04 0.97484456 10.87347210 1.49103523 0.18403210E-02 0.91500000E+04 0.97148815 10.98056919 1.49101654 0.22803665E-02 0.92000000E+04 0.96782261 11.08600599 1.49100436 0.27958167E-02 0.92500000E+04 0.96383875 11.18975669 1.49099192 0.33930678E-02 0.93000000E+04 0.95952968 11.29180809 1.49097660 0.40776142E-02 0.93500000E+04 0.95489094 11.39215993 1.49096098 0.48535783E-02 0.94000000E+04 0.94992060 11.49082485 1.49095090 0.57231531E-02 0.94500000E+04 0.94461921 11.58782768 1.49095027 0.66862548E-02 0.95000000E+04 0.93898964 11.68320419 1.49095719 0.77405173E-02 0.95500000E+04 0.93303673 11.77699944 1.49096591 0.88816260E-02 0.96000000E+04 0.92676695 11.86926554 1.49097225 0.10103937E-01 0.96500000E+04 0.92018788 11.96005928 1.49097672 0.11401097E-01 0.97000000E+04 0.91330782 12.04943974 1.49098406 0.12766503E-01 0.97500000E+04 0.90613529 12.13746608 1.49100006 0.14193540E-01 0.98000000E+04 0.89867878 12.22419586 1.49102615 0.15675496E-01 0.98500000E+04 0.89094659 12.30968396 1.49105625 0.17205374E-01 0.99000000E+04 0.88294672 12.39398223 1.49108072 0.18775858E-01 0.99500000E+04 0.87468708 12.47713982 1.49109378 0.20379423E-01 0.10000000E+05 0.86617563 12.55920398 1.49109793 0.22008524E-01 0.10050000E+05 0.85742063 12.64022113 1.49110277 0.23655765E-01 0.10100000E+05 0.84843088 12.72023799 1.49111951 0.25313918E-01 0.10150000E+05 0.83921584 12.79930247 1.49115276 0.26975888E-01 0.10200000E+05 0.82978579 12.87746428 1.49119535 0.28634658E-01 0.10250000E+05 0.82015176 12.95477505 1.49123274 0.30283166E-01 0.10300000E+05 0.81032549 13.03128821 1.49125345 0.31914245E-01 0.10350000E+05 0.80031932 13.10705859 1.49125682 0.33520617E-01 0.10400000E+05 0.79014611 13.18214180 1.49125385 0.35094894E-01 0.10450000E+05 0.77981904 13.25659371 1.49126080 0.36629752E-01 0.10500000E+05 0.76935162 13.33046987 1.49128788 0.38118301E-01 0.10550000E+05 0.75875754 13.40382503 1.49133065 0.39554449E-01 0.10600000E+05 0.74805067 13.47671272 1.49137296 0.40933118E-01 0.10650000E+05 0.73724495 13.54918478 1.49139872 0.42250166E-01 0.10700000E+05 0.72635431 13.62129090 1.49140254 0.43502163E-01 0.10750000E+05 0.71539263 13.69307813 1.49139316 0.44686268E-01 0.10800000E+05 0.70437357 13.76459029 1.49138822 0.45800133E-01 0.10850000E+05 0.69331053 13.83586749 1.49140201 0.46841870E-01 0.10900000E+05 0.68221652 13.90694561 1.49143473 0.47810000E-01 0.10950000E+05 0.67110413 13.97785602 1.49147315 0.48703284E-01 0.11000000E+05 0.65998543 14.04862535 1.49150115 0.49520549E-01 0.11050000E+05 0.64887203 14.11927550 1.49151016 0.50260753E-01 0.11100000E+05 0.63777499 14.18982375 1.49150394 0.50923287E-01 0.11150000E+05 0.62670491 14.26028307 1.49149594 0.51508280E-01 0.11200000E+05 0.61567191 14.33066239 1.49149942 0.52016605E-01 0.11250000E+05 0.60468565 14.40096695 1.49151733 0.52449599E-01 0.11300000E+05 0.59375535 14.47119863 1.49154158 0.52808755E-01 0.11350000E+05 0.58288974 14.54135621 1.49156102 0.53095497E-01 0.11400000E+05 0.57209710 14.61143557 1.49156907 0.53311130E-01 0.11450000E+05 0.56138519 14.68142982 1.49156762 0.53456982E-01 0.11500000E+05 0.55076127 14.75132943 1.49156559 0.53534641E-01 0.11550000E+05 0.54023205 14.82112224 1.49157147 0.53546052E-01 0.11600000E+05 0.52980366 14.89079359 1.49158538 0.53493435E-01 0.11650000E+05 0.51948171 14.96032635 1.49159954 0.53379116E-01 0.11700000E+05 0.50927124 15.02970104 1.49160618 0.53205480E-01 0.11750000E+05 0.49917676 15.09889598 1.49160336 0.52975028E-01 0.11800000E+05 0.48920227 15.16788743 1.49159642 0.52690453E-01 0.11850000E+05 0.47935126 15.23664982 1.49159522 0.52354667E-01 0.11900000E+05 0.46962680 15.30515598 1.49160631 0.51970777E-01 0.11950000E+05 0.46003147 15.37337740 1.49162594 0.51541922E-01 0.12000000E+05 0.45056746 15.44128447 1.49164237 0.51070994E-01 0.12050000E+05 0.44123658 15.50884680 1.49164584 0.50560491E-01 0.12100000E+05 0.43204024 15.57603345 1.49163510 0.50012618E-01 0.12150000E+05 0.42297951 15.64281319 1.49161801 0.49429539E-01 0.12200000E+05 0.41405514 15.70915481 1.49160790 0.48813592E-01 0.12250000E+05 0.40526760 15.77502735 1.49161447 0.48167353E-01 0.12300000E+05 0.39661708 15.84040036 1.49163522 0.47493541E-01 0.12350000E+05 0.38810355 15.90524409 1.49165736 0.46794823E-01 0.12400000E+05 0.37972677 15.96952970 1.49166824 0.46073617E-01 0.12450000E+05 0.37148631 16.03322941 1.49166266 0.45332054E-01 0.12500000E+05 0.36338156 16.09631660 1.49164490 0.44572079E-01 0.12550000E+05 0.35541178 16.15876596 1.49162717 0.43795596E-01 0.12600000E+05 0.34757608 16.22055345 1.49162172 0.43004572E-01 0.12650000E+05 0.33987344 16.28165643 1.49163122 0.42201047E-01 0.12700000E+05 0.33230271 16.34205361 1.49164838 0.41387090E-01 0.12750000E+05 0.32486267 16.40172507 1.49166355 0.40564688E-01 0.12800000E+05 0.31755198 16.46065224 1.49166980 0.39735637E-01 0.12850000E+05 0.31036925 16.51881794 1.49166480 0.38901532E-01 0.12900000E+05 0.30331300 16.57620639 1.49165296 0.38063827E-01 0.12950000E+05 0.29638174 16.63280323 1.49164238 0.37223907E-01 0.13000000E+05 0.28957392 16.68859560 1.49163760 0.36383139E-01 0.13050000E+05 0.28288802 16.74357216 1.49163868 0.35542889E-01 0.13100000E+05 0.27632248 16.79772317 1.49164500 0.34704503E-01 0.13150000E+05 0.26987577 16.85104045 1.49165473 0.33869247E-01 0.13200000E+05 0.26354635 16.90351746 1.49166313 0.33038270E-01 0.13250000E+05 0.25733271 16.95514918 1.49166657 0.32212618E-01 0.13300000E+05 0.25123336 17.00593211 1.49166458 0.31393269E-01 0.13350000E+05 0.24524683 17.05586417 1.49165696 0.30581157E-01 0.13400000E+05 0.23937167 17.10494463 1.49164531 0.29777169E-01 0.13450000E+05 0.23360646 17.15317401 1.49163614 0.28982124E-01 0.13500000E+05 0.22794979 17.20055400 1.49163591 0.28196768E-01 0.13550000E+05 0.22240029 17.24708733 1.49164472 0.27421780E-01 0.13600000E+05 0.21695660 17.29277774 1.49165829 0.26657794E-01 0.13650000E+05 0.21161737 17.33762982 1.49167078 0.25905399E-01 0.13700000E+05 0.20638131 17.38164901 1.49167404 0.25165137E-01 0.13750000E+05 0.20124711 17.42484151 1.49166336 0.24437499E-01 0.13800000E+05 0.19621350 17.46721423 1.49164472 0.23722903E-01 0.13850000E+05 0.19127923 17.50877473 1.49162996 0.23021698E-01 0.13900000E+05 0.18644305 17.54953116 1.49162720 0.22334169E-01 0.13950000E+05 0.18170375 17.58949218 1.49163860 0.21660552E-01 0.14000000E+05 0.17706011 17.62866691 1.49165944 0.21001030E-01 0.14050000E+05 0.17251093 17.66706480 1.49167631 0.20355734E-01 0.14100000E+05 0.16805502 17.70469564 1.49167620 0.19724768E-01 0.14150000E+05 0.16369119 17.74156939 1.49165950 0.19108202E-01 0.14200000E+05 0.15941825 17.77769624 1.49163782 0.18506064E-01 0.14250000E+05 0.15523504 17.81308651 1.49162358 0.17918337E-01 0.14300000E+05 0.15114037 17.84775064 1.49162540 0.17344983E-01 0.14350000E+05 0.14713309 17.88169920 1.49164334 0.16785946E-01 0.14400000E+05 0.14321201 17.91494284 1.49166451 0.16241143E-01 0.14450000E+05 0.13937598 17.94749230 1.49167300 0.15710460E-01 0.14500000E+05 0.13562383 17.97935838 1.49166526 0.15193764E-01 0.14550000E+05 0.13195441 18.01055192 1.49164894 0.14690919E-01 0.14600000E+05 0.12836655 18.04108379 1.49163355 0.14201777E-01 0.14650000E+05 0.12485909 18.07096488 1.49162803 0.13726182E-01 0.14700000E+05 0.12143087 18.10020606 1.49163598 0.13263962E-01 0.14750000E+05 0.11808073 18.12881819 1.49164943 0.12814947E-01 0.14800000E+05 0.11480752 18.15681212 1.49165683 0.12378969E-01 0.14850000E+05 0.11161006 18.18419866 1.49165614 0.11955844E-01 0.14900000E+05 0.10848721 18.21098856 1.49165167 0.11545356E-01 0.14950000E+05 0.10543779 18.23719255 1.49164596 0.11147263E-01 0.15000000E+05 0.10246066 18.26282129 1.49164213 0.10761316E-01 0.15050000E+05 0.09955466 18.28788541 1.49164261 0.10387266E-01 0.15100000E+05 0.09671863 18.31239543 1.49164333 0.10024844E-01 0.15150000E+05 0.09395141 18.33636186 1.49164005 0.96737725E-02 0.15200000E+05 0.09125186 18.35979510 1.49163741 0.93337845E-02 0.15250000E+05 0.08861883 18.38270549 1.49164115 0.90046308E-02 0.15300000E+05 0.08605116 18.40510330 1.49164889 0.86860599E-02 0.15350000E+05 0.08354772 18.42699874 1.49165597 0.83778036E-02 0.15400000E+05 0.08110735 18.44840192 1.49165858 0.80795904E-02 0.15450000E+05 0.07872894 18.46932288 1.49165110 0.77911603E-02 0.15500000E+05 0.07641134 18.48977159 1.49163411 0.75122574E-02 0.15550000E+05 0.07415343 18.50975792 1.49162045 0.72426155E-02 0.15600000E+05 0.07195408 18.52929163 1.49162214 0.69819638E-02 0.15650000E+05 0.06981218 18.54838241 1.49163791 0.67300492E-02 0.15700000E+05 0.06772661 18.56703981 1.49165885 0.64866383E-02 0.15750000E+05 0.06569627 18.58527328 1.49167342 0.62515006E-02 0.15800000E+05 0.06372005 18.60309213 1.49166857 0.60243995E-02 0.15850000E+05 0.06179688 18.62050555 1.49164306 0.58051035E-02 0.15900000E+05 0.05992565 18.63752258 1.49161468 0.55933967E-02 0.15950000E+05 0.05810530 18.65415212 1.49160400 0.53890687E-02 0.16000000E+05 0.05633474 18.67040290 1.49161738 0.51919027E-02 0.16050000E+05 0.05461293 18.68628351 1.49164810 0.50016797E-02 0.16100000E+05 0.05293880 18.70180235 1.49167907 0.48181902E-02 0.16150000E+05 0.05131131 18.71696768 1.49168658 0.46412372E-02 0.16200000E+05 0.04972943 18.73178757 1.49166141 0.44706240E-02 0.16250000E+05 0.04819213 18.74626990 1.49162152 0.43061468E-02 0.16300000E+05 0.04669840 18.76042239 1.49159483 0.41476028E-02 0.16350000E+05 0.04524723 18.77425258 1.49159769 0.39947997E-02 0.16400000E+05 0.04383764 18.78776782 1.49162994 0.38475552E-02 0.16450000E+05 0.04246864 18.80097530 1.49167325 0.37056868E-02 0.16500000E+05 0.04113926 18.81388201 1.49169571 0.35690077E-02 0.16550000E+05 0.03984855 18.82649479 1.49167884 0.34373345E-02 0.16600000E+05 0.03859556 18.83882027 1.49163633 0.33104935E-02 0.16650000E+05 0.03737937 18.85086495 1.49159817 0.31883188E-02 0.16700000E+05 0.03619906 18.86263512 1.49158778 0.30706467E-02 0.16750000E+05 0.03505373 18.87413692 1.49161285 0.29573134E-02 0.16800000E+05 0.03394248 18.88537633 1.49165906 0.28481582E-02 0.16850000E+05 0.03286444 18.89635915 1.49169248 0.27430250E-02 0.16900000E+05 0.03181875 18.90709101 1.49168796 0.26417643E-02 0.16950000E+05 0.03080458 18.91757740 1.49165213 0.25442359E-02 0.17000000E+05 0.02982107 18.92782366 1.49161100 0.24503108E-02 0.17050000E+05 0.02886744 18.93783494 1.49158987 0.23598676E-02 0.17100000E+05 0.02794286 18.94761627 1.49160310 0.22727827E-02 0.17150000E+05 0.02704656 18.95717253 1.49164334 0.21889267E-02 0.17200000E+05 0.02617777 18.96650847 1.49168030 0.21081711E-02 0.17250000E+05 0.02533573 18.97562869 1.49168684 0.20304010E-02 0.17300000E+05 0.02451971 18.98453770 1.49166290 0.19555168E-02 0.17350000E+05 0.02372898 18.99323987 1.49162683 0.18834211E-02 0.17400000E+05 0.02296283 19.00173947 1.49160068 0.18140084E-02 0.17450000E+05 0.02222059 19.01004064 1.49160243 0.17471707E-02 0.17500000E+05 0.02150155 19.01814746 1.49163188 0.16828147E-02 0.17550000E+05 0.02080508 19.02606390 1.49166546 0.16208670E-02 0.17600000E+05 0.02013051 19.03379384 1.49167841 0.15612562E-02 0.17650000E+05 0.01947722 19.04134107 1.49166660 0.15038925E-02 0.17700000E+05 0.01884459 19.04870932 1.49164012 0.14486701E-02 0.17750000E+05 0.01823202 19.05590219 1.49161458 0.13954923E-02 0.17800000E+05 0.01763892 19.06292323 1.49160834 0.13442928E-02 0.17850000E+05 0.01706471 19.06977591 1.49162671 0.12950303E-02 0.17900000E+05 0.01650884 19.07646362 1.49165320 0.12476603E-02 0.17950000E+05 0.01597077 19.08298967 1.49166777 0.12021129E-02 0.18000000E+05 0.01544995 19.08935731 1.49166510 0.11582961E-02 0.18050000E+05 0.01494587 19.09556972 1.49164859 0.11161180E-02 0.18100000E+05 0.01445803 19.10163000 1.49162684 0.10755075E-02 0.18150000E+05 0.01398592 19.10754120 1.49161654 0.10364146E-02 0.18200000E+05 0.01352909 19.11330631 1.49162653 0.99879612E-03 0.18250000E+05 0.01308704 19.11892826 1.49164603 0.96260151E-03 0.18300000E+05 0.01265934 19.12440994 1.49165954 0.92777507E-03 0.18350000E+05 0.01224554 19.12975422 1.49166193 0.89426690E-03 0.18400000E+05 0.01184521 19.13496388 1.49165259 0.86203736E-03 0.18450000E+05 0.01145793 19.14004166 1.49163490 0.83104586E-03 0.18500000E+05 0.01108329 19.14499026 1.49162347 0.80123583E-03 0.18550000E+05 0.01072090 19.14981232 1.49162895 0.77253414E-03 0.18600000E+05 0.01037037 19.15451044 1.49164396 0.74486977E-03 0.18650000E+05 0.01003133 19.15908719 1.49165590 0.71819598E-03 0.18700000E+05 0.00970342 19.16354509 1.49165998 0.69249553E-03 0.18750000E+05 0.00938628 19.16788659 1.49165396 0.66776421E-03 0.18800000E+05 0.00907957 19.17211411 1.49163871 0.64398739E-03 0.18850000E+05 0.00878295 19.17623002 1.49162741 0.62112826E-03 0.18900000E+05 0.00849611 19.18023663 1.49163144 0.59913392E-03 0.18950000E+05 0.00821874 19.18413618 1.49164505 0.57795040E-03 0.19000000E+05 0.00795051 19.18793089 1.49165681 0.55753346E-03 0.19050000E+05 0.00769115 19.19162289 1.49166140 0.53784955E-03 0.19100000E+05 0.00744037 19.19521429 1.49165566 0.51887054E-03 0.19150000E+05 0.00719788 19.19870712 1.49164004 0.50057024E-03 0.19200000E+05 0.00696342 19.20210334 1.49162788 0.48292607E-03 0.19250000E+05 0.00673672 19.20540484 1.49163167 0.46592308E-03 0.19300000E+05 0.00651753 19.20861345 1.49164660 0.44955394E-03 0.19350000E+05 0.00630561 19.21173088 1.49166108 0.43381154E-03 0.19400000E+05 0.00610071 19.21475877 1.49166751 0.41867854E-03 0.19450000E+05 0.00590261 19.21769868 1.49166071 0.40412233E-03 0.19500000E+05 0.00571108 19.22055209 1.49164157 0.39010069E-03 0.19550000E+05 0.00552591 19.22332043 1.49162566 0.37657435E-03 0.19600000E+05 0.00534688 19.22600501 1.49162828 0.36351699E-03 0.19650000E+05 0.00517378 19.22860710 1.49164595 0.35091652E-03 0.19700000E+05 0.00500644 19.23112785 1.49166613 0.33876910E-03 0.19750000E+05 0.00484464 19.23356836 1.49167751 0.32707168E-03 0.19800000E+05 0.00468821 19.23592967 1.49167069 0.31581706E-03 0.19850000E+05 0.00453698 19.23821277 1.49164632 0.30499194E-03 0.19900000E+05 0.00439075 19.24041864 1.49162333 0.29457735E-03 0.19950000E+05 0.00424938 19.24254820 1.49162189 0.28455121E-03 0.20000000E+05 0.00411270 19.24460240 1.49164131 0.27489229E-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 -0.005285 1.95129 2 0.1554312 -0.020954 1.40341 3 0.1597487 -0.022871 0.87764 4 0.1640662 -0.012340 0.36410 5 0.1683837 0.003033 -0.14585 6 0.1727013 0.013874 -0.65510 7 0.1770188 0.014455 -1.15840 8 0.1813363 0.005830 -1.64569 9 0.1856539 -0.005269 -2.11027 10 0.1899714 -0.011079 -2.55419 11 0.1942889 -0.008069 -2.98644 12 0.1986065 0.000728 2.86656 13 0.2029240 0.008095 2.43533 14 0.2072415 0.008246 2.00947 15 0.2115591 0.001513 1.59916 16 0.2158766 -0.005838 1.20807 17 0.2201941 -0.007054 0.82982 18 0.2245117 -0.001199 0.45403 19 0.2288292 0.005698 0.07590 20 0.2331467 0.006471 -0.29863 21 0.2374643 0.000344 -0.65920 22 0.2417818 -0.005903 -1.00310 23 0.2460993 -0.005222 -1.33833 24 0.2504169 0.001521 -1.67490 25 0.2547344 0.006223 -2.01365 26 0.2590519 0.003169 -2.34486 27 0.2633695 -0.003715 -2.66048 28 0.2676870 -0.005551 -2.96458 29 0.2720045 0.000021 3.01486 30 0.2763221 0.005492 2.70702 31 0.2806396 0.003428 2.40349 32 0.2849571 -0.003236 2.11428 33 0.2892746 -0.005096 1.83683 34 0.2935922 0.000395 1.55946 35 0.2979097 0.005116 1.27713 36 0.3022272 0.002095 0.99904 37 0.3065448 -0.004060 0.73530 38 0.3108623 -0.004019 0.48158 39 0.3151798 0.002010 0.22528 40 0.3194974 0.004557 -0.03605 41 0.3238149 -0.000275 -0.29027 42 0.3281324 -0.004629 -0.52965 43 0.3324500 -0.001522 -0.76341 44 0.3367675 0.003831 -1.00364 45 0.3410850 0.002629 -1.24605 46 0.3454026 -0.002939 -1.47615 47 0.3497201 -0.003460 -1.69359 48 0.3540376 0.001764 -1.91313 49 0.3583552 0.003642 -2.14064 50 0.3626727 -0.000967 -2.36227 51 0.3669902 -0.003921 -2.56798 52 0.3713078 -0.000178 -2.76947 53 0.3756253 0.003420 -2.98070 54 0.3799428 0.000506 3.09012 55 0.3842604 -0.003492 2.89362 56 0.3885779 -0.001394 2.70724 57 0.3928954 0.002733 2.51199 58 0.3972129 0.001308 2.30977 59 0.4015305 -0.002788 2.12167 60 0.4058480 -0.001872 1.94849 61 0.4101655 0.002153 1.76822 62 0.4144831 0.001687 1.57625 63 0.4188006 -0.002142 1.39641 64 0.4231181 -0.001972 1.23562 65 0.4274357 0.001616 1.06932 66 0.4317532 0.001591 0.88724 67 0.4360707 -0.001808 0.71604 68 0.4403883 -0.001903 0.56772 69 0.4447058 0.001240 0.41428 70 0.4490233 0.001331 0.24079 71 0.4533409 -0.001609 0.07863 72 0.4576584 -0.001692 -0.05632 73 0.4619759 0.000994 -0.19785 74 0.4662935 0.000997 -0.36421 75 0.4706110 -0.001451 -0.51607 76 0.4749285 -0.001345 -0.63585 77 0.4792461 0.000891 -0.76709 78 0.4835636 0.000714 -0.92876 79 0.4878811 -0.001270 -1.06815 80 0.4921987 -0.000999 -1.17032 81 0.4965162 0.000759 -1.29379 82 0.5008337 0.000440 -1.45282 83 0.5051512 -0.001075 -1.57470 84 0.5094688 -0.000690 -1.65590 85 0.5137863 0.000676 -1.77628 86 0.5181038 0.000353 -1.93432 87 0.5224214 -0.000776 -2.03019 88 0.5267389 -0.000388 -2.08736 89 0.5310564 0.000737 -2.21277 90 0.5353740 0.000516 -2.36726 91 0.5396915 -0.000389 -2.42226 92 0.5440090 0.000018 -2.45337 93 0.5483266 0.001169 -2.59724 ******************************************************************************** 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 0.9917579E+00 0.5821865E-02 0.2093503E+00 1 0.0000000E+00 0.0000000E+00 0.0000000E+00 ************************************ diffraction summed probabilities ************************************ v irot j m probability 0 21 1 -1 0.1350119E-03 0 26 1 0 0.1308299E-02 0 31 1 1 0.8241424E-03 0 13 3 -3 0.7499144E-06 0 17 3 -2 0.1480498E-04 0 22 3 -1 0.1700877E-03 0 27 3 0 0.2304459E-03 0 32 3 1 0.1014993E-01 0 36 3 2 0.9901967E-02 0 40 3 3 0.1252675E-02 0 7 5 -5 0.1071195E-07 0 10 5 -4 0.2345006E-06 0 14 5 -3 0.1251932E-06 0 18 5 -2 0.1803294E-04 0 23 5 -1 0.2426094E-04 0 28 5 0 0.5021134E-02 0 33 5 1 0.1954014E-01 0 37 5 2 0.8914940E+00 0 41 5 3 0.4737606E-01 0 44 5 4 0.4189693E-02 0 47 5 5 0.9789008E-04 0 3 7 -7 0.4292700E-12 0 5 7 -6 0.2933561E-11 0 8 7 -5 0.5941656E-10 0 11 7 -4 0.4732914E-07 0 15 7 -3 0.2837588E-09 0 19 7 -2 0.8518646E-08 0 24 7 -1 0.2446402E-07 0 29 7 0 0.1396959E-06 0 34 7 1 0.7471185E-07 0 38 7 2 0.7160425E-05 0 42 7 3 0.6173761E-06 0 45 7 4 0.6465875E-07 0 48 7 5 0.9327061E-08 0 50 7 6 0.9448912E-07 0 52 7 7 0.7038815E-09 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 0.6198247E-09 1 0.6676225E-05 2 0.6366442E-04 3 0.5232791E-04 4 0.1180438E-04 5 0.4993102E-06 6 0.2181094E-07 7 0.1710505E-07 8 0.7326449E-10 9 0.0000000E+00 v, j, mj = 0 1 0 0 0.9566196E-15 1 0.3647003E-03 2 0.7373816E-03 3 0.1845797E-03 4 0.2028234E-04 5 0.1261616E-05 6 0.6998644E-07 7 0.2345137E-07 8 0.2608520E-09 9 0.0000000E+00 v, j, mj = 0 1 1 0 0.1617273E-16 1 0.5610470E-03 2 0.1748918E-03 3 0.5574616E-04 4 0.2964911E-04 5 0.2701555E-05 6 0.9953925E-07 7 0.7165581E-08 8 0.7411123E-10 9 0.0000000E+00 v, j, mj = 0 3 -3 0 0.1169472E-16 1 0.3708851E-07 2 0.2263662E-06 3 0.2515179E-06 4 0.1346131E-06 5 0.4150978E-07 6 0.3741095E-07 7 0.2140805E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 3 -2 0 0.5377294E-16 1 0.2302878E-06 2 0.5591565E-05 3 0.7588081E-05 4 0.1093607E-05 5 0.2071911E-06 6 0.8038086E-07 7 0.1386421E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 3 -1 0 0.7685972E-08 1 0.2188813E-04 2 0.1165151E-03 3 0.2773898E-04 4 0.3576214E-05 5 0.2226331E-06 6 0.1326816E-06 7 0.6266816E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 3 0 0 0.9768445E-15 1 0.9423570E-04 2 0.7365203E-04 3 0.5926446E-04 4 0.3224237E-05 5 0.3602315E-07 6 0.2271617E-07 7 0.1069354E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 3 1 0 0.2700228E-16 1 0.6752634E-02 2 0.3020956E-02 3 0.3681559E-03 4 0.7204829E-05 5 0.8891393E-06 6 0.8746447E-07 7 0.8617592E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 3 2 0 0.2296208E-02 1 0.3529601E-02 2 0.3265744E-02 3 0.7595010E-03 4 0.4985629E-04 5 0.9919149E-06 6 0.5842743E-07 7 0.6650816E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 3 3 0 0.3050332E-16 1 0.1810046E-04 2 0.4920031E-03 3 0.6428846E-03 4 0.9781628E-04 5 0.1826177E-05 6 0.3207835E-07 7 0.1226146E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 -5 0 0.1315098E-16 1 0.7890451E-09 2 0.1383713E-08 3 0.3515468E-09 4 0.1074538E-08 5 0.7113112E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 -4 0 0.1171910E-07 1 0.3783803E-07 2 0.7959207E-07 3 0.1059212E-07 4 0.5975176E-07 5 0.3500755E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 -3 0 0.2418297E-16 1 0.1564168E-08 2 0.5352125E-07 3 0.5460698E-07 4 0.1054972E-07 5 0.4951032E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 -2 0 0.1235714E-16 1 0.4432443E-05 2 0.1112514E-04 3 0.7739182E-06 4 0.1565578E-05 5 0.1358662E-06 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 -1 0 0.3908425E-07 1 0.1528970E-04 2 0.7175342E-05 3 0.1555968E-05 4 0.1908433E-06 5 0.1000010E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 0 0 0.1502491E-15 1 0.3896078E-02 2 0.1085210E-02 3 0.3497369E-04 4 0.4749644E-05 5 0.1228482E-06 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 1 0 0.2378595E-16 1 0.1563181E-01 2 0.3788800E-02 3 0.1170315E-03 4 0.2462753E-05 5 0.3699474E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 2 0 0.4714756E+00 1 0.3797888E+00 2 0.3921411E-01 3 0.9994585E-03 4 0.1578351E-04 5 0.1930150E-06 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 3 0 0.3024769E-16 1 0.3230965E-01 2 0.1432652E-01 3 0.7332484E-03 4 0.6581814E-05 5 0.6660082E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 4 0 0.1204407E-15 1 0.1445223E-02 2 0.2438687E-02 3 0.2947111E-03 4 0.1073018E-04 5 0.3413006E-06 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 5 0 0.1589189E-06 1 0.8059420E-05 2 0.6743665E-04 3 0.2103954E-04 4 0.8944913E-06 5 0.3010573E-06 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -7 0 0.3052195E-13 1 0.2420162E-12 2 0.1567318E-12 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -6 0 0.1040359E-15 1 0.2457047E-11 2 0.4764104E-12 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -5 0 0.7837776E-18 1 0.4633989E-10 2 0.1307667E-10 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -4 0 0.1892824E-07 1 0.2801219E-07 2 0.3887169E-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 -3 0 0.8588508E-17 1 0.2655900E-09 2 0.1816879E-10 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -2 0 0.3492159E-16 1 0.7631649E-08 2 0.8869971E-09 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -1 0 0.1671011E-08 1 0.2197594E-07 2 0.8170690E-09 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 0 0 0.1030613E-16 1 0.1329477E-06 2 0.6748182E-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 0.1011138E-16 1 0.6439157E-07 2 0.1032028E-07 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 2 0 0.4616404E-05 1 0.2499416E-05 2 0.4460570E-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 3 0 0.7483427E-17 1 0.6123194E-06 2 0.5056665E-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 0.9106921E-16 1 0.3581835E-07 2 0.2884039E-07 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 5 0 0.1439660E-08 1 0.7098605E-08 2 0.7887962E-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 6 0 0.7942480E-16 1 0.9071589E-07 2 0.3773229E-08 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 7 0 0.1013166E-16 1 0.6411307E-09 2 0.6275085E-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 sum of the probabilities = 0.9917579 average vibrational energy (ev) = 0.000000 average rotational energy (ev) = 0.209350 average diffraction energy (ev) = 0.005822 the reaction probability = 0.8242085D-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 0.1004104E+01 0.8311144E-02 0.2055432E+00 1 0.0000000E+00 0.0000000E+00 0.0000000E+00 ************************************ diffraction summed probabilities ************************************ v irot j m probability 0 21 1 -1 0.4617461E-03 0 26 1 0 0.4108275E-02 0 31 1 1 0.2742207E-02 0 13 3 -3 0.6985772E-05 0 17 3 -2 0.1253067E-03 0 22 3 -1 0.1070072E-02 0 27 3 0 0.1527899E-02 0 32 3 1 0.2352972E-01 0 36 3 2 0.1598793E-01 0 40 3 3 0.2438310E-02 0 7 5 -5 0.2737355E-07 0 10 5 -4 0.2783558E-06 0 14 5 -3 0.6011652E-06 0 18 5 -2 0.4369776E-04 0 23 5 -1 0.9661940E-04 0 28 5 0 0.1029437E-01 0 33 5 1 0.4318644E-01 0 37 5 2 0.7848778E+00 0 41 5 3 0.1001114E+00 0 44 5 4 0.1267442E-01 0 47 5 5 0.5878700E-03 0 3 7 -7 0.2337418E-10 0 5 7 -6 0.3441219E-09 0 8 7 -5 0.3484119E-08 0 11 7 -4 0.2205298E-07 0 15 7 -3 0.5057994E-08 0 19 7 -2 0.5141564E-06 0 24 7 -1 0.2206324E-06 0 29 7 0 0.8259371E-06 0 34 7 1 0.8502439E-05 0 38 7 2 0.2001483E-03 0 42 7 3 0.1469153E-04 0 45 7 4 0.5728947E-05 0 48 7 5 0.5383825E-07 0 50 7 6 0.1629709E-05 0 52 7 7 0.4618987E-07 0 1 9 -9 0.0000000E+00 0 2 9 -8 0.0000000E+00 0 4 9 -7 0.0000000E+00 0 6 9 -6 0.0000000E+00 0 9 9 -5 0.0000000E+00 0 12 9 -4 0.0000000E+00 0 16 9 -3 0.0000000E+00 0 20 9 -2 0.0000000E+00 0 25 9 -1 0.0000000E+00 0 30 9 0 0.0000000E+00 0 35 9 1 0.0000000E+00 0 39 9 2 0.0000000E+00 0 43 9 3 0.0000000E+00 0 46 9 4 0.0000000E+00 0 49 9 5 0.0000000E+00 0 51 9 6 0.0000000E+00 0 53 9 7 0.0000000E+00 0 54 9 8 0.0000000E+00 0 55 9 9 0.0000000E+00 1 21 1 -1 0.0000000E+00 1 26 1 0 0.0000000E+00 1 31 1 1 0.0000000E+00 1 13 3 -3 0.0000000E+00 1 17 3 -2 0.0000000E+00 1 22 3 -1 0.0000000E+00 1 27 3 0 0.0000000E+00 1 32 3 1 0.0000000E+00 1 36 3 2 0.0000000E+00 1 40 3 3 0.0000000E+00 1 7 5 -5 0.0000000E+00 1 10 5 -4 0.0000000E+00 1 14 5 -3 0.0000000E+00 1 18 5 -2 0.0000000E+00 1 23 5 -1 0.0000000E+00 1 28 5 0 0.0000000E+00 1 33 5 1 0.0000000E+00 1 37 5 2 0.0000000E+00 1 41 5 3 0.0000000E+00 1 44 5 4 0.0000000E+00 1 47 5 5 0.0000000E+00 1 3 7 -7 0.0000000E+00 1 5 7 -6 0.0000000E+00 1 8 7 -5 0.0000000E+00 1 11 7 -4 0.0000000E+00 1 15 7 -3 0.0000000E+00 1 19 7 -2 0.0000000E+00 1 24 7 -1 0.0000000E+00 1 29 7 0 0.0000000E+00 1 34 7 1 0.0000000E+00 1 38 7 2 0.0000000E+00 1 42 7 3 0.0000000E+00 1 45 7 4 0.0000000E+00 1 48 7 5 0.0000000E+00 1 50 7 6 0.0000000E+00 1 52 7 7 0.0000000E+00 1 1 9 -9 0.0000000E+00 1 2 9 -8 0.0000000E+00 1 4 9 -7 0.0000000E+00 1 6 9 -6 0.0000000E+00 1 9 9 -5 0.0000000E+00 1 12 9 -4 0.0000000E+00 1 16 9 -3 0.0000000E+00 1 20 9 -2 0.0000000E+00 1 25 9 -1 0.0000000E+00 1 30 9 0 0.0000000E+00 1 35 9 1 0.0000000E+00 1 39 9 2 0.0000000E+00 1 43 9 3 0.0000000E+00 1 46 9 4 0.0000000E+00 1 49 9 5 0.0000000E+00 1 51 9 6 0.0000000E+00 1 53 9 7 0.0000000E+00 1 54 9 8 0.0000000E+00 1 55 9 9 0.0000000E+00 ************************************ probabilities as function of diffraction order ************************************ v, j, mj = 0 1 -1 0 0.2117679E-07 1 0.3769747E-04 2 0.2432622E-03 3 0.1303765E-03 4 0.4641423E-04 5 0.3861462E-05 6 0.7856923E-07 7 0.2536659E-07 8 0.9085146E-08 9 0.0000000E+00 v, j, mj = 0 1 0 0 0.1369909E-13 1 0.1435259E-02 2 0.2177477E-02 3 0.4331110E-03 4 0.5819792E-04 5 0.4101240E-05 6 0.1053097E-06 7 0.1966311E-07 8 0.3872541E-08 9 0.0000000E+00 v, j, mj = 0 1 1 0 0.1761327E-15 1 0.1997937E-02 2 0.6417846E-03 3 0.6397519E-04 4 0.2826450E-04 5 0.9758381E-05 6 0.4708233E-06 7 0.1195688E-07 8 0.4516410E-08 9 0.0000000E+00 v, j, mj = 0 3 -3 0 0.8997072E-15 1 0.5655213E-07 2 0.1636956E-05 3 0.3555709E-05 4 0.1500326E-05 5 0.9036489E-07 6 0.8831020E-07 7 0.5755481E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 3 -2 0 0.2855834E-14 1 0.2031619E-05 2 0.5343386E-04 3 0.6116420E-04 4 0.8130067E-05 5 0.4527437E-06 6 0.7790917E-07 7 0.1632201E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 3 -1 0 0.5201038E-07 1 0.1148156E-03 2 0.7198152E-03 3 0.2134275E-03 4 0.2096619E-04 5 0.8810125E-06 6 0.1014569E-06 7 0.1267494E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 3 0 0 0.2733140E-13 1 0.2117096E-03 2 0.8378121E-03 3 0.4390579E-03 4 0.3812337E-04 5 0.1145993E-05 6 0.3043868E-07 7 0.1968951E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 3 1 0 0.3280278E-15 1 0.1564244E-01 2 0.6914111E-02 3 0.9310112E-03 4 0.4025286E-04 5 0.1861743E-05 6 0.2614331E-07 7 0.1587424E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 3 2 0 0.5573567E-02 1 0.3322442E-02 2 0.4985335E-02 3 0.1855417E-02 4 0.2415371E-03 5 0.9466177E-05 6 0.1539821E-06 7 0.8091898E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 3 3 0 0.4302015E-15 1 0.4750477E-03 2 0.2055219E-03 3 0.1239440E-02 4 0.4911903E-03 5 0.2688340E-04 6 0.2123150E-06 7 0.1394744E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 -5 0 0.4086894E-16 1 0.1354710E-08 2 0.3672016E-08 3 0.1310371E-08 4 0.1017779E-08 5 0.1733700E-07 6 0.2681676E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 -4 0 0.9398264E-08 1 0.1977183E-07 2 0.1195249E-06 3 0.3837183E-07 4 0.6661159E-07 5 0.1583624E-07 6 0.8841112E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 -3 0 0.1530998E-15 1 0.2063747E-07 2 0.1315419E-06 3 0.3927967E-06 4 0.3446941E-07 5 0.1960039E-07 6 0.2119328E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 -2 0 0.1509195E-15 1 0.1139483E-04 2 0.2961607E-04 3 0.1228706E-05 4 0.1386541E-05 5 0.6592268E-07 6 0.5690524E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 -1 0 0.6168042E-07 1 0.3699595E-04 2 0.5114582E-04 3 0.8144939E-05 4 0.2053912E-06 5 0.5457219E-07 6 0.1104438E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 0 0 0.3608050E-14 1 0.7568783E-02 2 0.2604619E-02 3 0.1143736E-03 4 0.6405995E-05 5 0.7602486E-07 6 0.1127883E-06 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 1 0 0.1395507E-15 1 0.3421834E-01 2 0.8723486E-02 3 0.2358562E-03 4 0.8563155E-05 5 0.1842822E-06 6 0.1554969E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 2 0 0.3648752E+00 1 0.3719311E+00 2 0.4562602E-01 3 0.2355400E-02 4 0.8931218E-04 5 0.6855484E-06 6 0.7475491E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 3 0 0.5715252E-16 1 0.5723920E-01 2 0.3963687E-01 3 0.3189672E-02 4 0.4537520E-04 5 0.2640493E-06 6 0.6816716E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 4 0 0.1540177E-14 1 0.1295096E-02 2 0.8828915E-02 3 0.2444826E-02 4 0.1051007E-03 5 0.4126080E-06 6 0.7071936E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 5 0 0.2037478E-06 1 0.6099217E-05 2 0.3028790E-03 3 0.2591988E-03 4 0.1891479E-04 5 0.5485215E-06 6 0.2591416E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -7 0 0.1636073E-11 1 0.8713979E-11 2 0.4803870E-11 3 0.8220258E-11 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -6 0 0.5630755E-16 1 0.2446710E-09 2 0.7032790E-10 3 0.2912292E-10 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -5 0 0.7742354E-18 1 0.6143786E-09 2 0.2679094E-08 3 0.1906468E-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 0.8305360E-08 1 0.6500204E-08 2 0.4826181E-08 3 0.2421239E-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 0.4030134E-17 1 0.1548563E-08 2 0.2368892E-08 3 0.1140539E-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 -2 0 0.2677132E-17 1 0.4705508E-06 2 0.2651728E-07 3 0.1708829E-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 0.5797685E-08 1 0.1212872E-06 2 0.4514520E-07 3 0.4840227E-07 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 0 0 0.6393909E-16 1 0.2392103E-06 2 0.2463714E-06 3 0.3403554E-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 0.2519944E-16 1 0.5523848E-05 2 0.2389381E-05 3 0.5892093E-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 0.1099658E-03 1 0.8310072E-04 2 0.6498093E-05 3 0.5837563E-06 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 3 0 0.1158710E-16 1 0.1241886E-04 2 0.1848671E-05 3 0.4239999E-06 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 4 0 0.4008105E-17 1 0.4694232E-05 2 0.9399887E-06 3 0.9472574E-07 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 5 0 0.1944703E-08 1 0.2283723E-07 2 0.1902779E-07 3 0.1002852E-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 6 0 0.2117082E-16 1 0.1484465E-05 2 0.1240831E-06 3 0.2116044E-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 7 0 0.1208665E-16 1 0.1642396E-07 2 0.2197502E-07 3 0.7790888E-08 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 sum of the probabilities = 1.0041044 average vibrational energy (ev) = 0.000000 average rotational energy (ev) = 0.205543 average diffraction energy (ev) = 0.008311 the reaction probability = -0.4104394D-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 0.9976041E+00 0.1153446E-01 0.1997799E+00 1 0.5690902E-09 0.7562328E-02 0.1447186E-01 ************************************ diffraction summed probabilities ************************************ v irot j m probability 0 21 1 -1 0.1035502E-02 0 26 1 0 0.8524476E-02 0 31 1 1 0.6473008E-02 0 13 3 -3 0.5496072E-04 0 17 3 -2 0.6733151E-03 0 22 3 -1 0.4270288E-02 0 27 3 0 0.5986703E-02 0 32 3 1 0.3905893E-01 0 36 3 2 0.2330549E-01 0 40 3 3 0.4695015E-02 0 7 5 -5 0.4463656E-07 0 10 5 -4 0.3667271E-06 0 14 5 -3 0.4972227E-05 0 18 5 -2 0.1497821E-03 0 23 5 -1 0.4600330E-03 0 28 5 0 0.1962896E-01 0 33 5 1 0.7653718E-01 0 37 5 2 0.6037266E+00 0 41 5 3 0.1595128E+00 0 44 5 4 0.3765118E-01 0 47 5 5 0.4264893E-02 0 3 7 -7 0.4211676E-09 0 5 7 -6 0.1363503E-08 0 8 7 -5 0.4046192E-08 0 11 7 -4 0.9822192E-07 0 15 7 -3 0.2073054E-07 0 19 7 -2 0.2551464E-06 0 24 7 -1 0.2148454E-05 0 29 7 0 0.2109739E-04 0 34 7 1 0.6898860E-04 0 38 7 2 0.1228943E-02 0 42 7 3 0.2538236E-03 0 45 7 4 0.1212992E-04 0 48 7 5 0.3988387E-06 0 50 7 6 0.1553282E-05 0 52 7 7 0.1983123E-06 0 1 9 -9 0.0000000E+00 0 2 9 -8 0.0000000E+00 0 4 9 -7 0.0000000E+00 0 6 9 -6 0.0000000E+00 0 9 9 -5 0.0000000E+00 0 12 9 -4 0.0000000E+00 0 16 9 -3 0.0000000E+00 0 20 9 -2 0.0000000E+00 0 25 9 -1 0.0000000E+00 0 30 9 0 0.0000000E+00 0 35 9 1 0.0000000E+00 0 39 9 2 0.0000000E+00 0 43 9 3 0.0000000E+00 0 46 9 4 0.0000000E+00 0 49 9 5 0.0000000E+00 0 51 9 6 0.0000000E+00 0 53 9 7 0.0000000E+00 0 54 9 8 0.0000000E+00 0 55 9 9 0.0000000E+00 1 21 1 -1 0.8558185E-10 1 26 1 0 0.3976041E-09 1 31 1 1 0.8590430E-10 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 0.1135045E-06 1 0.1615074E-03 2 0.6573652E-03 3 0.1151996E-03 4 0.8437496E-04 5 0.1617961E-04 6 0.6961705E-06 7 0.4867436E-07 8 0.1650108E-07 9 0.3542781E-09 v, j, mj = 0 1 0 0 0.1400042E-12 1 0.4041496E-02 2 0.3851361E-02 3 0.5038659E-03 4 0.1172885E-03 5 0.9816587E-05 6 0.6034874E-06 7 0.3871479E-07 8 0.6052912E-08 9 0.5602564E-09 v, j, mj = 0 1 1 0 0.1384912E-14 1 0.4740506E-02 2 0.1491822E-02 3 0.2224512E-03 4 0.7406257E-05 5 0.9478010E-05 6 0.1296799E-05 7 0.3562950E-07 8 0.1237460E-07 9 0.3256768E-09 v, j, mj = 0 3 -3 0 0.8696628E-14 1 0.2046043E-06 2 0.1084736E-04 3 0.2931601E-04 4 0.1349719E-04 5 0.9448101E-06 6 0.1151730E-06 7 0.2652252E-07 8 0.9050319E-08 9 0.0000000E+00 v, j, mj = 0 3 -2 0 0.4583303E-13 1 0.1503264E-04 2 0.3271455E-03 3 0.2936833E-03 4 0.3556390E-04 5 0.1795636E-05 6 0.6333004E-07 7 0.1732888E-07 8 0.1357517E-07 9 0.0000000E+00 v, j, mj = 0 3 -1 0 0.2635813E-06 1 0.4730829E-03 2 0.2943412E-02 3 0.7687661E-03 4 0.7965449E-04 5 0.4813337E-05 6 0.2630090E-06 7 0.2097481E-07 8 0.1160168E-07 9 0.0000000E+00 v, j, mj = 0 3 0 0 0.3765200E-12 1 0.4157131E-03 2 0.3964965E-02 3 0.1461946E-02 4 0.1371852E-03 5 0.6792047E-05 6 0.6307200E-07 7 0.3012448E-07 8 0.8733338E-08 9 0.0000000E+00 v, j, mj = 0 3 1 0 0.9063399E-15 1 0.2760101E-01 2 0.1022721E-01 3 0.1169148E-02 4 0.5683359E-04 5 0.4519155E-05 6 0.1680627E-06 7 0.3027660E-07 8 0.4792228E-08 9 0.0000000E+00 v, j, mj = 0 3 2 0 0.1338213E-01 1 0.1860901E-02 2 0.4138589E-02 3 0.3136255E-02 4 0.7352420E-03 5 0.5110424E-04 6 0.1249791E-05 7 0.1078826E-07 8 0.8328758E-08 9 0.0000000E+00 v, j, mj = 0 3 3 0 0.2130620E-14 1 0.2470678E-02 2 0.2843810E-03 3 0.1007534E-02 4 0.8294172E-03 5 0.1006364E-03 6 0.2347192E-05 7 0.1502367E-07 8 0.5376019E-08 9 0.0000000E+00 v, j, mj = 0 5 -5 0 0.9006054E-15 1 0.5944000E-08 2 0.4657732E-08 3 0.7462264E-08 4 0.2465132E-08 5 0.1424504E-07 6 0.7350402E-08 7 0.2511991E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 -4 0 0.1266396E-07 1 0.1343640E-07 2 0.1132348E-06 3 0.1214233E-06 4 0.8409377E-07 5 0.1085633E-07 6 0.1026903E-07 7 0.7494765E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 -3 0 0.1278519E-14 1 0.2517146E-06 2 0.1285394E-05 3 0.3104919E-05 4 0.2712566E-06 5 0.5282457E-07 6 0.5465533E-08 7 0.6534411E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 -2 0 0.5999277E-14 1 0.2933691E-04 2 0.1078213E-03 3 0.1102254E-04 4 0.1521850E-05 5 0.6772526E-07 6 0.9975646E-08 7 0.1802038E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 -1 0 0.1297862E-06 1 0.1001936E-03 2 0.3022745E-03 3 0.5534578E-04 4 0.1971705E-05 5 0.1051465E-06 6 0.1110005E-07 7 0.1335568E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 0 0 0.1119894E-12 1 0.1411556E-01 2 0.5300994E-02 3 0.2053166E-03 4 0.6732640E-05 5 0.2529137E-06 6 0.9387202E-07 7 0.1436030E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 1 0 0.1387590E-14 1 0.6321654E-01 2 0.1305797E-01 3 0.2242244E-03 4 0.3737779E-04 5 0.1041854E-05 6 0.2005605E-07 7 0.1339680E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 2 0 0.2673117E+00 1 0.2987414E+00 2 0.3271147E-01 3 0.4604539E-02 4 0.3524675E-03 5 0.4822276E-05 6 0.9147761E-07 7 0.1616650E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 3 0 0.2136732E-14 1 0.7991224E-01 2 0.7183104E-01 3 0.7596694E-02 4 0.1721444E-03 5 0.6222181E-06 6 0.5986456E-07 7 0.4332691E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 4 0 0.3835504E-13 1 0.1663133E-02 2 0.2343632E-01 3 0.1163035E-01 4 0.9108368E-03 5 0.1044360E-04 6 0.9593819E-07 7 0.4125468E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 5 0 0.1805222E-06 1 0.4180900E-04 2 0.1455563E-02 3 0.2379404E-02 4 0.3804432E-03 5 0.7375576E-05 6 0.1108470E-06 7 0.6341816E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -7 0 0.8571479E-11 1 0.9648963E-10 2 0.6263647E-10 3 0.1412772E-09 4 0.1121928E-09 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -6 0 0.5042297E-16 1 0.4252667E-09 2 0.5093151E-09 3 0.2761078E-09 4 0.1528132E-09 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -5 0 0.1550300E-17 1 0.6412288E-10 2 0.1669136E-08 3 0.2160738E-08 4 0.1521952E-09 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -4 0 0.1626645E-07 1 0.3516826E-07 2 0.4316460E-07 3 0.2305998E-08 4 0.1316611E-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 0.3234996E-16 1 0.7576768E-08 2 0.5924469E-08 3 0.2723549E-08 4 0.4505753E-08 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -2 0 0.4420677E-17 1 0.2593376E-07 2 0.1861502E-06 3 0.2213520E-07 4 0.2092719E-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 0.2656858E-07 1 0.1372250E-05 2 0.6636008E-06 3 0.2106818E-07 4 0.6496576E-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 0.1114536E-15 1 0.1371699E-04 2 0.6765486E-05 3 0.4640708E-06 4 0.1508466E-06 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 1 0 0.3474451E-17 1 0.5278072E-04 2 0.1517569E-04 3 0.9341940E-06 4 0.9799375E-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 0.6083946E-03 1 0.5676390E-03 2 0.5272647E-04 3 0.1341484E-06 4 0.4917844E-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 0.4036375E-18 1 0.1916157E-03 2 0.5919435E-04 3 0.2926780E-05 4 0.8676753E-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 0.3548959E-16 1 0.9641870E-05 2 0.2053528E-05 3 0.2374140E-06 4 0.1971127E-06 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 5 0 0.4632388E-07 1 0.1161014E-06 2 0.1292522E-06 3 0.2326080E-07 4 0.8390033E-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 6 0 0.8113248E-18 1 0.4092500E-06 2 0.9906413E-06 3 0.1271428E-06 4 0.2624762E-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 7 0 0.2028829E-16 1 0.5141778E-07 2 0.4068584E-07 3 0.4424517E-07 4 0.6196350E-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 0.4675401E-10 1 0.3882783E-10 2 0.0000000E+00 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 1 0 0 0.1219905E-18 1 0.3976041E-09 2 0.0000000E+00 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 1 1 0 0.3027833E-17 1 0.8590430E-10 2 0.0000000E+00 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 sum of the probabilities = 0.9976041 average vibrational energy (ev) = 0.000000 average rotational energy (ev) = 0.199780 average diffraction energy (ev) = 0.011534 the reaction probability = 0.2395888D-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 0.9985681E+00 0.1572852E-01 0.1932740E+00 1 0.1528962E-06 0.2263261E-01 0.1538901E-01 ************************************ diffraction summed probabilities ************************************ v irot j m probability 0 21 1 -1 0.2056248E-02 0 26 1 0 0.1381908E-01 0 31 1 1 0.1077832E-01 0 13 3 -3 0.2672943E-03 0 17 3 -2 0.2437723E-02 0 22 3 -1 0.1148361E-01 0 27 3 0 0.1389167E-01 0 32 3 1 0.5060070E-01 0 36 3 2 0.3184519E-01 0 40 3 3 0.8866002E-02 0 7 5 -5 0.1072448E-06 0 10 5 -4 0.1724048E-05 0 14 5 -3 0.4586710E-04 0 18 5 -2 0.6021526E-03 0 23 5 -1 0.1980453E-02 0 28 5 0 0.3390611E-01 0 33 5 1 0.1060928E+00 0 37 5 2 0.4181597E+00 0 41 5 3 0.1871485E+00 0 44 5 4 0.7822237E-01 0 47 5 5 0.2012877E-01 0 3 7 -7 0.1924621E-08 0 5 7 -6 0.4508588E-08 0 8 7 -5 0.7983321E-08 0 11 7 -4 0.4438791E-07 0 15 7 -3 0.7096961E-07 0 19 7 -2 0.1180573E-05 0 24 7 -1 0.1216846E-04 0 29 7 0 0.1970234E-03 0 34 7 1 0.4552472E-03 0 38 7 2 0.3947866E-02 0 42 7 3 0.1488527E-02 0 45 7 4 0.1256605E-03 0 48 7 5 0.4212780E-05 0 50 7 6 0.1406884E-05 0 52 7 7 0.3596078E-06 0 1 9 -9 0.0000000E+00 0 2 9 -8 0.0000000E+00 0 4 9 -7 0.0000000E+00 0 6 9 -6 0.0000000E+00 0 9 9 -5 0.0000000E+00 0 12 9 -4 0.0000000E+00 0 16 9 -3 0.0000000E+00 0 20 9 -2 0.0000000E+00 0 25 9 -1 0.0000000E+00 0 30 9 0 0.0000000E+00 0 35 9 1 0.0000000E+00 0 39 9 2 0.0000000E+00 0 43 9 3 0.0000000E+00 0 46 9 4 0.0000000E+00 0 49 9 5 0.0000000E+00 0 51 9 6 0.0000000E+00 0 53 9 7 0.0000000E+00 0 54 9 8 0.0000000E+00 0 55 9 9 0.0000000E+00 1 21 1 -1 0.3027940E-07 1 26 1 0 0.4173813E-07 1 31 1 1 0.7892303E-07 1 13 3 -3 0.3449218E-18 1 17 3 -2 0.3259384E-18 1 22 3 -1 0.1023498E-11 1 27 3 0 0.1502938E-18 1 32 3 1 0.2134435E-19 1 36 3 2 0.1954645E-08 1 40 3 3 0.7827969E-21 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 0.5164650E-06 1 0.5089857E-03 2 0.1406738E-02 3 0.1142841E-04 4 0.9230729E-04 5 0.3341550E-04 6 0.2710587E-05 7 0.1255575E-06 8 0.1616729E-07 9 0.4446573E-08 v, j, mj = 0 1 0 0 0.8125399E-12 1 0.8022380E-02 2 0.4984701E-02 3 0.5990156E-03 4 0.1889970E-03 5 0.2236915E-04 6 0.1533424E-05 7 0.6072877E-07 8 0.1874626E-07 9 0.1910205E-08 v, j, mj = 0 1 1 0 0.3361034E-14 1 0.7812645E-02 2 0.2563237E-02 3 0.3340106E-03 4 0.6003466E-04 5 0.7723109E-05 6 0.6133992E-06 7 0.3588488E-07 8 0.1971820E-07 9 0.1099649E-08 v, j, mj = 0 3 -3 0 0.4897537E-13 1 0.1191788E-05 2 0.6072486E-04 3 0.1390217E-03 4 0.5888823E-04 5 0.7227688E-05 6 0.2088325E-06 7 0.2209900E-07 8 0.9112232E-08 9 0.3296391E-10 v, j, mj = 0 3 -2 0 0.4312284E-12 1 0.7868308E-04 2 0.1426671E-02 3 0.8454925E-03 4 0.8141181E-04 5 0.5316194E-05 6 0.1183688E-06 7 0.2202283E-07 8 0.8357070E-08 9 0.1624365E-10 v, j, mj = 0 3 -1 0 0.8911497E-06 1 0.1527149E-02 2 0.8437183E-02 3 0.1365746E-02 4 0.1397075E-03 5 0.1240210E-04 6 0.5024968E-06 7 0.2235418E-07 8 0.8096281E-08 9 0.4909736E-10 v, j, mj = 0 3 0 0 0.2634944E-11 1 0.7552504E-03 2 0.1063308E-01 3 0.2262236E-02 4 0.2259716E-03 5 0.1465224E-04 6 0.4541508E-06 7 0.2034198E-07 8 0.4705142E-08 9 0.6893753E-10 v, j, mj = 0 3 1 0 0.2836366E-14 1 0.3812223E-01 2 0.1155345E-01 3 0.8069304E-03 4 0.1051463E-03 5 0.1233412E-04 6 0.5694081E-06 7 0.3885456E-07 8 0.6173372E-08 9 0.5278701E-10 v, j, mj = 0 3 2 0 0.2360878E-01 1 0.5450211E-03 2 0.1456151E-02 3 0.4283136E-02 4 0.1756952E-02 5 0.1892991E-03 6 0.5800384E-05 7 0.4549493E-07 8 0.8166442E-08 9 0.7901835E-11 v, j, mj = 0 3 3 0 0.7122798E-14 1 0.6064557E-02 2 0.1299172E-02 3 0.7704453E-03 4 0.6225836E-03 5 0.1053772E-03 6 0.3833070E-05 7 0.2345835E-07 8 0.1038966E-07 9 0.2905531E-10 v, j, mj = 0 5 -5 0 0.7263773E-14 1 0.9612835E-08 2 0.5426443E-08 3 0.3962424E-07 4 0.1290301E-07 5 0.1430733E-07 6 0.1283555E-07 7 0.1253542E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 -4 0 0.1487234E-08 1 0.1347534E-06 2 0.3906021E-06 3 0.8075706E-06 4 0.3415830E-06 5 0.3427460E-07 6 0.9971684E-08 7 0.3805292E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 -3 0 0.8456880E-14 1 0.1439642E-05 2 0.1374906E-04 3 0.2744145E-04 4 0.3089102E-05 5 0.1378079E-06 6 0.8050296E-08 7 0.1997967E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 -2 0 0.1061090E-12 1 0.7222602E-04 2 0.4179092E-03 3 0.1046118E-03 4 0.7146757E-05 5 0.2279011E-06 6 0.2252453E-07 7 0.8434968E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 -1 0 0.3040080E-06 1 0.2870275E-03 2 0.1393033E-02 3 0.2870242E-03 4 0.1245368E-04 5 0.5845316E-06 6 0.1808515E-07 7 0.7866149E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 0 0 0.1623672E-11 1 0.2490662E-01 2 0.8709245E-02 3 0.2746854E-03 4 0.1440364E-04 5 0.1097827E-05 6 0.5054247E-07 7 0.9729710E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 1 0 0.3553792E-14 1 0.9383294E-01 2 0.1163025E-01 3 0.4556187E-03 4 0.1683487E-03 5 0.5488587E-05 6 0.9338414E-07 7 0.1724838E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 2 0 0.1887997E+00 1 0.2012012E+00 2 0.1836476E-01 3 0.8969447E-02 4 0.8062328E-03 5 0.1797202E-04 6 0.2730535E-06 7 0.2942269E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 3 0 0.2109867E-13 1 0.9070998E-01 2 0.8738418E-01 3 0.8660356E-02 4 0.3848996E-03 5 0.8890580E-05 6 0.1555998E-06 7 0.7946772E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 4 0 0.3787507E-12 1 0.4304950E-02 2 0.4145514E-01 3 0.2850733E-01 4 0.3853313E-02 5 0.1011423E-03 6 0.4878614E-06 7 0.6679977E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 5 0 0.5259187E-07 1 0.1530064E-03 2 0.4777036E-02 3 0.1132302E-01 4 0.3685832E-02 5 0.1882302E-03 6 0.1571241E-05 7 0.1723312E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -7 0 0.2392778E-10 1 0.2650043E-09 2 0.4642608E-09 3 0.6221201E-09 4 0.3179710E-09 5 0.2313375E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -6 0 0.6509560E-16 1 0.1090001E-08 2 0.1306975E-08 3 0.1373684E-08 4 0.4027435E-09 5 0.3351850E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -5 0 0.1148999E-15 1 0.1647103E-08 2 0.4105536E-08 3 0.1482035E-08 4 0.6015500E-09 5 0.1470972E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -4 0 0.1129609E-07 1 0.9509483E-08 2 0.1548020E-07 3 0.5819749E-08 4 0.5641872E-09 5 0.1718199E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -3 0 0.1580707E-15 1 0.4679518E-08 2 0.3894218E-07 3 0.1961152E-07 4 0.5125775E-08 5 0.2610618E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -2 0 0.7195995E-16 1 0.5183193E-06 2 0.3527577E-06 3 0.2729002E-06 4 0.2699734E-07 5 0.9598956E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -1 0 0.4174441E-07 1 0.4848829E-05 2 0.5868750E-05 3 0.1297533E-05 4 0.9516948E-07 5 0.1643148E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 0 0 0.5866624E-14 1 0.1167252E-03 2 0.7664900E-04 3 0.3400664E-05 4 0.1893430E-06 5 0.5925175E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 1 0 0.6502104E-16 1 0.3130858E-03 2 0.1391483E-03 3 0.2864816E-05 4 0.1249513E-06 5 0.2336513E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 2 0 0.1962212E-02 1 0.1783540E-02 2 0.1976156E-03 3 0.4318460E-05 4 0.1639509E-06 5 0.1667352E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 3 0 0.6524437E-16 1 0.1119771E-02 2 0.3584520E-03 3 0.1015205E-04 4 0.8621385E-07 5 0.6617827E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 4 0 0.3227229E-14 1 0.6660575E-04 2 0.4745036E-04 3 0.1112426E-04 4 0.4360489E-06 5 0.4404622E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 5 0 0.1556497E-06 1 0.7920079E-06 2 0.2334582E-05 3 0.8462123E-06 4 0.6565010E-07 5 0.1867731E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 6 0 0.6227709E-15 1 0.6074142E-06 2 0.6405860E-06 3 0.7178558E-07 4 0.7763982E-07 5 0.9457895E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 7 0 0.1009820E-15 1 0.2621849E-07 2 0.9567019E-07 3 0.1767714E-06 4 0.4604976E-07 5 0.1489790E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 1 -1 0 0.1433420E-09 1 0.1360669E-08 2 0.2774668E-07 3 0.1028709E-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 0.4730276E-17 1 0.4559333E-08 2 0.2956493E-07 3 0.7613874E-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 0.9057286E-18 1 0.4424913E-07 2 0.3414607E-07 3 0.5278177E-09 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 sum of the probabilities = 0.9985682 average vibrational energy (ev) = 0.000000 average rotational energy (ev) = 0.193274 average diffraction energy (ev) = 0.015729 the reaction probability = 0.1431770D-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 0.1001526E+01 0.2133236E-01 0.1879708E+00 1 0.1026023E-05 0.1972513E-01 0.2938709E-01 ************************************ diffraction summed probabilities ************************************ v irot j m probability 0 21 1 -1 0.4023353E-02 0 26 1 0 0.2034897E-01 0 31 1 1 0.1338802E-01 0 13 3 -3 0.7958592E-03 0 17 3 -2 0.6316489E-02 0 22 3 -1 0.2226589E-01 0 27 3 0 0.2133037E-01 0 32 3 1 0.5505331E-01 0 36 3 2 0.3866978E-01 0 40 3 3 0.1476827E-01 0 7 5 -5 0.5119488E-06 0 10 5 -4 0.1571916E-04 0 14 5 -3 0.3028895E-03 0 18 5 -2 0.2237768E-02 0 23 5 -1 0.6508246E-02 0 28 5 0 0.5101495E-01 0 33 5 1 0.1150960E+00 0 37 5 2 0.2725944E+00 0 41 5 3 0.1681569E+00 0 44 5 4 0.1167639E+00 0 47 5 5 0.5510419E-01 0 3 7 -7 0.4079317E-08 0 5 7 -6 0.1014068E-07 0 8 7 -5 0.1100802E-07 0 11 7 -4 0.9715644E-07 0 15 7 -3 0.7686449E-06 0 19 7 -2 0.1297022E-04 0 24 7 -1 0.8042972E-04 0 29 7 0 0.9674523E-03 0 34 7 1 0.1834195E-02 0 38 7 2 0.8519349E-02 0 42 7 3 0.4574889E-02 0 45 7 4 0.7273395E-03 0 48 7 5 0.4745765E-04 0 50 7 6 0.3240289E-05 0 52 7 7 0.1096915E-05 0 1 9 -9 0.6807219E-12 0 2 9 -8 0.2979069E-11 0 4 9 -7 0.2090708E-10 0 6 9 -6 0.2199574E-10 0 9 9 -5 0.2128227E-09 0 12 9 -4 0.9094140E-09 0 16 9 -3 0.3404908E-09 0 20 9 -2 0.1613030E-08 0 25 9 -1 0.7098740E-08 0 30 9 0 0.4043590E-07 0 35 9 1 0.1041729E-06 0 39 9 2 0.4833608E-06 0 43 9 3 0.9250857E-07 0 46 9 4 0.6939025E-07 0 49 9 5 0.1822364E-07 0 51 9 6 0.1110120E-07 0 53 9 7 0.3932411E-08 0 54 9 8 0.1782883E-07 0 55 9 9 0.3710740E-08 1 21 1 -1 0.3098520E-07 1 26 1 0 0.1076639E-06 1 31 1 1 0.6739483E-06 1 13 3 -3 0.8777855E-09 1 17 3 -2 0.4997312E-08 1 22 3 -1 0.1727215E-07 1 27 3 0 0.1478140E-07 1 32 3 1 0.5913262E-07 1 36 3 2 0.8802412E-07 1 40 3 3 0.2834042E-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 0.1586204E-05 1 0.1020380E-02 2 0.2660165E-02 3 0.2005584E-03 4 0.9630165E-04 5 0.3837236E-04 6 0.5746483E-05 7 0.2190220E-06 8 0.1947928E-07 9 0.5009621E-08 v, j, mj = 0 1 0 0 0.2992584E-11 1 0.1037556E-01 2 0.7947870E-02 3 0.1588105E-02 4 0.3805591E-03 5 0.5367546E-04 6 0.3029274E-05 7 0.1444976E-06 8 0.2048412E-07 9 0.2370940E-08 v, j, mj = 0 1 1 0 0.1698441E-13 1 0.8723572E-02 2 0.4011195E-02 3 0.2919986E-03 4 0.2669442E-03 5 0.8300498E-04 6 0.1088696E-04 7 0.3873825E-06 8 0.2590388E-07 9 0.6506767E-08 v, j, mj = 0 3 -3 0 0.2114350E-12 1 0.6090149E-05 2 0.2599355E-03 3 0.3848362E-03 4 0.1184712E-03 5 0.2509404E-04 6 0.1397149E-05 7 0.2486696E-07 8 0.7447042E-08 9 0.2629566E-08 v, j, mj = 0 3 -2 0 0.2714806E-11 1 0.2929848E-03 2 0.4457783E-02 3 0.1437005E-02 4 0.1195128E-03 5 0.8915282E-05 6 0.2627927E-06 7 0.1672883E-07 8 0.7231572E-08 9 0.1169503E-08 v, j, mj = 0 3 -1 0 0.3024454E-05 1 0.4006745E-02 2 0.1706614E-01 3 0.1010149E-02 4 0.1619557E-03 5 0.1681446E-04 6 0.9923914E-06 7 0.4610869E-07 8 0.1238986E-07 9 0.2040897E-08 v, j, mj = 0 3 0 0 0.1064623E-10 1 0.1671399E-02 2 0.1777702E-01 3 0.1625357E-02 4 0.2365116E-03 5 0.1813427E-04 6 0.1866617E-05 7 0.5964388E-07 8 0.1266456E-07 9 0.2398420E-08 v, j, mj = 0 3 1 0 0.2217718E-13 1 0.4051499E-01 2 0.1343326E-01 3 0.5730962E-03 4 0.4519239E-03 5 0.7652849E-04 6 0.3434630E-05 7 0.7760258E-07 8 0.7343310E-08 9 0.2059746E-08 v, j, mj = 0 3 2 0 0.2921836E-01 1 0.3963899E-04 2 0.5335985E-03 3 0.5251217E-02 4 0.3112989E-02 5 0.4931880E-03 6 0.2049532E-04 7 0.2795364E-06 8 0.8632288E-08 9 0.2218441E-08 v, j, mj = 0 3 3 0 0.2459534E-13 1 0.1005251E-01 2 0.2649142E-02 3 0.1033420E-02 4 0.7858042E-03 5 0.2228006E-03 6 0.2378304E-04 7 0.7756215E-06 8 0.3053892E-07 9 0.1304812E-08 v, j, mj = 0 5 -5 0 0.3685401E-13 1 0.2666211E-07 2 0.4669540E-07 3 0.2217261E-06 4 0.1483322E-06 5 0.3053929E-07 6 0.2084060E-07 7 0.1170970E-07 8 0.5443376E-08 9 0.0000000E+00 v, j, mj = 0 5 -4 0 0.4427398E-06 1 0.5578955E-06 2 0.3788622E-05 3 0.8001003E-05 4 0.2717271E-05 5 0.1976828E-06 6 0.1038706E-07 7 0.2791677E-08 8 0.7682809E-09 9 0.0000000E+00 v, j, mj = 0 5 -3 0 0.2581151E-13 1 0.6583472E-05 2 0.1060049E-03 3 0.1744558E-03 4 0.1545972E-04 5 0.3642229E-06 6 0.1673759E-07 7 0.1811850E-08 8 0.2776156E-08 9 0.0000000E+00 v, j, mj = 0 5 -2 0 0.9744298E-12 1 0.1652996E-03 2 0.1515253E-02 3 0.5335724E-03 4 0.2301625E-04 5 0.6098654E-06 6 0.1121252E-07 7 0.5124417E-08 8 0.5557966E-09 9 0.0000000E+00 v, j, mj = 0 5 -1 0 0.5664650E-06 1 0.7941299E-03 2 0.4821400E-02 3 0.8644536E-03 4 0.2638138E-04 5 0.1263589E-05 6 0.3973093E-07 7 0.7149312E-08 8 0.3721591E-08 9 0.0000000E+00 v, j, mj = 0 5 0 0 0.1231018E-10 1 0.3958439E-01 2 0.1093616E-01 3 0.4542339E-03 4 0.3769756E-04 5 0.2425435E-05 6 0.3958315E-07 7 0.7165236E-08 8 0.2216773E-08 9 0.0000000E+00 v, j, mj = 0 5 1 0 0.5639586E-14 1 0.1073486E+00 2 0.4946654E-02 3 0.2319442E-02 4 0.4595538E-03 5 0.2139663E-04 6 0.3331451E-06 7 0.1193368E-07 8 0.6380895E-08 9 0.0000000E+00 v, j, mj = 0 5 2 0 0.1137332E+00 1 0.1169872E+00 2 0.2711436E-01 3 0.1365451E-01 4 0.1062062E-02 5 0.4238057E-04 6 0.7888540E-06 7 0.2882256E-07 8 0.1836616E-08 9 0.0000000E+00 v, j, mj = 0 5 3 0 0.1192415E-12 1 0.8296206E-01 2 0.7906850E-01 3 0.4924151E-02 4 0.1117443E-02 5 0.8331379E-04 6 0.1445314E-05 7 0.1404886E-07 8 0.2491071E-08 9 0.0000000E+00 v, j, mj = 0 5 4 0 0.2378671E-11 1 0.1121178E-01 2 0.5991429E-01 3 0.3817010E-01 4 0.7065657E-02 5 0.3982804E-03 6 0.3835839E-05 7 0.1016177E-07 8 0.1311918E-08 9 0.0000000E+00 v, j, mj = 0 5 5 0 0.1844645E-06 1 0.4599257E-03 2 0.1068333E-01 3 0.2719757E-01 4 0.1500100E-01 5 0.1730326E-02 6 0.3175312E-04 7 0.9364019E-07 8 0.4052353E-08 9 0.0000000E+00 v, j, mj = 0 7 -7 0 0.1132504E-09 1 0.1797491E-09 2 0.1403553E-08 3 0.6883626E-09 4 0.8033812E-09 5 0.7866361E-09 6 0.1043845E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -6 0 0.1060127E-15 1 0.4351133E-08 2 0.1607710E-08 3 0.2742656E-08 4 0.6773437E-09 5 0.6236514E-09 6 0.1381854E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -5 0 0.1872980E-14 1 0.5854443E-09 2 0.3324882E-08 3 0.4550982E-08 4 0.1123507E-08 5 0.7376698E-09 6 0.6855285E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -4 0 0.4086904E-07 1 0.7701603E-08 2 0.8441046E-08 3 0.3231425E-07 4 0.4698228E-08 5 0.2694583E-08 6 0.4376918E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -3 0 0.9821463E-15 1 0.7660592E-07 2 0.2498390E-06 3 0.3892041E-06 4 0.4361012E-07 5 0.8399061E-08 6 0.9866995E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -2 0 0.3653287E-14 1 0.1942182E-05 2 0.7852377E-05 3 0.2945117E-05 4 0.1946096E-06 5 0.3339875E-07 6 0.2540274E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -1 0 0.5363247E-07 1 0.1957814E-04 2 0.4914549E-04 3 0.1138419E-04 4 0.1716090E-06 5 0.9563577E-07 6 0.1015264E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 0 0 0.1226280E-12 1 0.5687071E-03 2 0.3759255E-03 3 0.2235319E-04 4 0.3864438E-06 5 0.6812880E-07 6 0.1190733E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 1 0 0.3786872E-15 1 0.1262685E-02 2 0.5585414E-03 3 0.1231526E-04 4 0.6199432E-06 5 0.2945302E-07 6 0.4076742E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 2 0 0.4960448E-02 1 0.3040275E-02 2 0.4858071E-03 3 0.3165205E-04 4 0.1143595E-05 5 0.1659716E-07 6 0.6157284E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 3 0 0.1928424E-14 1 0.3570990E-02 2 0.9737380E-03 3 0.2976093E-04 4 0.2584907E-06 5 0.1306762E-06 6 0.1135384E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 4 0 0.7580906E-13 1 0.4051384E-03 2 0.2649385E-03 3 0.5405631E-04 4 0.2950349E-05 5 0.2435534E-06 6 0.1243272E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 5 0 0.9388417E-07 1 0.6452555E-05 2 0.2906225E-04 3 0.1057283E-04 4 0.1206026E-05 5 0.5757370E-07 6 0.1253174E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 6 0 0.2198137E-13 1 0.1696038E-05 2 0.7535191E-06 3 0.6921947E-06 4 0.4814736E-07 5 0.3717064E-07 6 0.1321904E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 7 0 0.3235679E-14 1 0.3322160E-06 2 0.2540691E-06 3 0.2011659E-06 4 0.2222375E-06 5 0.6825851E-07 6 0.1896801E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -9 0 0.1312668E-16 1 0.2669232E-12 2 0.4137855E-12 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -8 0 0.9335550E-17 1 0.1600564E-11 2 0.1378496E-11 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -7 0 0.7282388E-11 1 0.5522236E-11 2 0.8102453E-11 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -6 0 0.8445912E-16 1 0.1275287E-10 2 0.9242792E-11 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -5 0 0.2579958E-17 1 0.1284319E-09 2 0.8439079E-10 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -4 0 0.1974775E-10 1 0.8569322E-09 2 0.3273414E-10 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -3 0 0.3307806E-16 1 0.1826137E-09 2 0.1578771E-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 0.1391354E-17 1 0.1257496E-08 2 0.3555333E-09 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -1 0 0.1955515E-09 1 0.4146049E-08 2 0.2757140E-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 0.7534200E-16 1 0.2349946E-07 2 0.1693643E-07 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 1 0 0.6430091E-18 1 0.8009101E-07 2 0.2408192E-07 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 2 0 0.2590438E-06 1 0.1022968E-06 2 0.1220202E-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 3 0 0.2665197E-17 1 0.7349798E-07 2 0.1901059E-07 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 4 0 0.1435124E-16 1 0.4084097E-07 2 0.2854928E-07 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 5 0 0.1847255E-08 1 0.1591845E-07 2 0.4579416E-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 0.1511987E-16 1 0.8262639E-08 2 0.2838560E-08 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 7 0 0.2449711E-16 1 0.2451441E-08 2 0.1480970E-08 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 8 0 0.1199182E-07 1 0.3877932E-08 2 0.1959076E-08 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 9 0 0.1159848E-16 1 0.2548176E-08 2 0.1162564E-08 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 1 -1 0 0.2254445E-08 1 0.1891138E-08 2 0.6125117E-08 3 0.1634747E-07 4 0.4367032E-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 0.3567302E-15 1 0.9286409E-08 2 0.3328154E-07 3 0.4548077E-07 4 0.1961516E-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 0.5201838E-17 1 0.5140769E-06 2 0.1233753E-06 3 0.2708806E-07 4 0.9408043E-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 0.3919434E-17 1 0.8772952E-10 2 0.7900560E-09 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 -2 0 0.5887681E-17 1 0.1796241E-08 2 0.3201071E-08 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 -1 0 0.6411775E-11 1 0.1227391E-07 2 0.4991831E-08 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 0 0 0.2518353E-16 1 0.5152768E-08 2 0.9628633E-08 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 1 0 0.6918575E-17 1 0.5579515E-07 2 0.3337470E-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 0.2476468E-07 1 0.4964170E-07 2 0.1361774E-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 0.1530675E-17 1 0.9377447E-08 2 0.1896297E-07 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 sum of the probabilities = 1.0015271 average vibrational energy (ev) = 0.000001 average rotational energy (ev) = 0.187971 average diffraction energy (ev) = 0.021332 the reaction probability = -0.1527087D-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 0.1000669E+01 0.2814477E-01 0.1853181E+00 1 0.6161969E-04 0.1773140E-01 0.1917169E-01 ************************************ diffraction summed probabilities ************************************ v irot j m probability 0 21 1 -1 0.7123379E-02 0 26 1 0 0.2843443E-01 0 31 1 1 0.1324499E-01 0 13 3 -3 0.1634647E-02 0 17 3 -2 0.1239244E-01 0 22 3 -1 0.3304888E-01 0 27 3 0 0.2356786E-01 0 32 3 1 0.5469824E-01 0 36 3 2 0.4085604E-01 0 40 3 3 0.2149381E-01 0 7 5 -5 0.7036944E-05 0 10 5 -4 0.1061241E-03 0 14 5 -3 0.1322921E-02 0 18 5 -2 0.6662255E-02 0 23 5 -1 0.1581402E-01 0 28 5 0 0.6467003E-01 0 33 5 1 0.9854060E-01 0 37 5 2 0.1815602E+00 0 41 5 3 0.1206523E+00 0 44 5 4 0.1408046E+00 0 47 5 5 0.9942336E-01 0 3 7 -7 0.7819202E-08 0 5 7 -6 0.1919619E-07 0 8 7 -5 0.8708299E-07 0 11 7 -4 0.7493119E-06 0 15 7 -3 0.9903562E-05 0 19 7 -2 0.1063803E-03 0 24 7 -1 0.4394439E-03 0 29 7 0 0.3192350E-02 0 34 7 1 0.4563881E-02 0 38 7 2 0.1447951E-01 0 42 7 3 0.9394708E-02 0 45 7 4 0.2154926E-02 0 48 7 5 0.2478709E-03 0 50 7 6 0.1468087E-04 0 52 7 7 0.3129972E-05 0 1 9 -9 0.2772179E-10 0 2 9 -8 0.8150186E-10 0 4 9 -7 0.1884381E-09 0 6 9 -6 0.2146309E-09 0 9 9 -5 0.1031507E-08 0 12 9 -4 0.4058563E-08 0 16 9 -3 0.6346553E-08 0 20 9 -2 0.1692019E-07 0 25 9 -1 0.3448139E-07 0 30 9 0 0.1780916E-06 0 35 9 1 0.4700821E-06 0 39 9 2 0.1734187E-05 0 43 9 3 0.6664006E-06 0 46 9 4 0.2271882E-06 0 49 9 5 0.1129320E-06 0 51 9 6 0.5629281E-07 0 53 9 7 0.1507643E-07 0 54 9 8 0.4922811E-07 0 55 9 9 0.6496182E-08 1 21 1 -1 0.1661341E-06 1 26 1 0 0.2568171E-05 1 31 1 1 0.5484651E-04 1 13 3 -3 0.3590138E-08 1 17 3 -2 0.9564066E-08 1 22 3 -1 0.1175757E-07 1 27 3 0 0.1425146E-06 1 32 3 1 0.2994748E-05 1 36 3 2 0.5966871E-06 1 40 3 3 0.2800192E-06 1 7 5 -5 0.0000000E+00 1 10 5 -4 0.0000000E+00 1 14 5 -3 0.0000000E+00 1 18 5 -2 0.0000000E+00 1 23 5 -1 0.0000000E+00 1 28 5 0 0.0000000E+00 1 33 5 1 0.0000000E+00 1 37 5 2 0.0000000E+00 1 41 5 3 0.0000000E+00 1 44 5 4 0.0000000E+00 1 47 5 5 0.0000000E+00 1 3 7 -7 0.0000000E+00 1 5 7 -6 0.0000000E+00 1 8 7 -5 0.0000000E+00 1 11 7 -4 0.0000000E+00 1 15 7 -3 0.0000000E+00 1 19 7 -2 0.0000000E+00 1 24 7 -1 0.0000000E+00 1 29 7 0 0.0000000E+00 1 34 7 1 0.0000000E+00 1 38 7 2 0.0000000E+00 1 42 7 3 0.0000000E+00 1 45 7 4 0.0000000E+00 1 48 7 5 0.0000000E+00 1 50 7 6 0.0000000E+00 1 52 7 7 0.0000000E+00 1 1 9 -9 0.0000000E+00 1 2 9 -8 0.0000000E+00 1 4 9 -7 0.0000000E+00 1 6 9 -6 0.0000000E+00 1 9 9 -5 0.0000000E+00 1 12 9 -4 0.0000000E+00 1 16 9 -3 0.0000000E+00 1 20 9 -2 0.0000000E+00 1 25 9 -1 0.0000000E+00 1 30 9 0 0.0000000E+00 1 35 9 1 0.0000000E+00 1 39 9 2 0.0000000E+00 1 43 9 3 0.0000000E+00 1 46 9 4 0.0000000E+00 1 49 9 5 0.0000000E+00 1 51 9 6 0.0000000E+00 1 53 9 7 0.0000000E+00 1 54 9 8 0.0000000E+00 1 55 9 9 0.0000000E+00 ************************************ probabilities as function of diffraction order ************************************ v, j, mj = 0 1 -1 0 0.2265320E-05 1 0.1291507E-02 2 0.4367319E-02 3 0.9980463E-03 4 0.3450867E-03 5 0.1029201E-03 6 0.1559025E-04 7 0.6266189E-06 8 0.1381664E-07 9 0.4242762E-08 v, j, mj = 0 1 0 0 0.6177667E-11 1 0.7150256E-02 2 0.1613470E-01 3 0.3740568E-02 4 0.1172336E-02 5 0.2160333E-03 6 0.1982020E-04 7 0.6933188E-06 8 0.2005420E-07 9 0.4123876E-08 v, j, mj = 0 1 1 0 0.4120691E-12 1 0.5844138E-02 2 0.5052004E-02 3 0.6565632E-03 4 0.9768252E-03 5 0.5482546E-03 6 0.1514074E-03 7 0.1552725E-04 8 0.2568363E-06 9 0.1429724E-07 v, j, mj = 0 3 -3 0 0.6819458E-12 1 0.2283447E-04 2 0.6842304E-03 3 0.7033605E-03 4 0.1611401E-03 5 0.5502488E-04 6 0.7779988E-05 7 0.2674269E-06 8 0.7888952E-08 9 0.1046569E-08 v, j, mj = 0 3 -2 0 0.1155765E-10 1 0.7462453E-03 2 0.1004862E-01 3 0.1366911E-02 4 0.2168349E-03 5 0.1303566E-04 6 0.7450937E-06 7 0.3441691E-07 8 0.6040958E-08 9 0.1587330E-08 v, j, mj = 0 3 -1 0 0.9292093E-05 1 0.8187453E-02 2 0.2431187E-01 3 0.3366347E-03 4 0.1849101E-03 5 0.1715504E-04 6 0.1442588E-05 7 0.1077935E-06 8 0.1263300E-07 9 0.2940347E-08 v, j, mj = 0 3 0 0 0.3277021E-10 1 0.3388050E-02 2 0.1888563E-01 3 0.9913399E-03 4 0.2466152E-03 5 0.5031586E-04 6 0.5635735E-05 7 0.2622551E-06 8 0.1568194E-07 9 0.3518028E-08 v, j, mj = 0 3 1 0 0.6410290E-13 1 0.3098500E-01 2 0.2017859E-01 3 0.1751901E-02 4 0.1428045E-02 5 0.3211222E-03 6 0.3233884E-04 7 0.1216959E-05 8 0.2116423E-07 9 0.3466754E-08 v, j, mj = 0 3 2 0 0.2603489E-01 1 0.1183778E-02 2 0.2418866E-02 3 0.5725728E-02 4 0.4415800E-02 5 0.9957541E-03 6 0.7970873E-04 7 0.1497545E-05 8 0.1147005E-07 9 0.2799647E-08 v, j, mj = 0 3 3 0 0.1847696E-12 1 0.1282241E-01 2 0.3883395E-02 3 0.1115259E-02 4 0.1955241E-02 5 0.1342071E-02 6 0.3569342E-03 7 0.1829553E-04 8 0.2042896E-06 9 0.3329420E-08 v, j, mj = 0 5 -5 0 0.1700307E-12 1 0.1042519E-05 2 0.1201202E-05 3 0.1961521E-05 4 0.2332427E-05 5 0.4401754E-06 6 0.4393768E-07 7 0.1106413E-07 8 0.4098730E-08 9 0.0000000E+00 v, j, mj = 0 5 -4 0 0.8260515E-05 1 0.1908128E-05 2 0.2513987E-04 3 0.5828560E-04 4 0.1177802E-04 5 0.7127398E-06 6 0.3110712E-07 7 0.6742102E-08 8 0.1354564E-08 9 0.0000000E+00 v, j, mj = 0 5 -3 0 0.5084950E-13 1 0.2461447E-04 2 0.5914962E-03 3 0.6835837E-03 4 0.2225055E-04 5 0.9057455E-06 6 0.6443931E-07 7 0.2498886E-08 8 0.3341799E-08 9 0.0000000E+00 v, j, mj = 0 5 -2 0 0.5211023E-11 1 0.3528162E-03 2 0.4662020E-02 3 0.1620685E-02 4 0.2528915E-04 5 0.1393460E-05 6 0.3926200E-07 7 0.9645157E-08 8 0.2303259E-08 9 0.0000000E+00 v, j, mj = 0 5 -1 0 0.1182291E-05 1 0.2079326E-02 2 0.1220807E-01 3 0.1505152E-02 4 0.1832370E-04 5 0.1874375E-05 6 0.7326609E-07 7 0.1190188E-07 8 0.2882502E-08 9 0.0000000E+00 v, j, mj = 0 5 0 0 0.5549897E-10 1 0.5321070E-01 2 0.1024414E-01 3 0.1153781E-02 4 0.5676460E-04 5 0.4500167E-05 6 0.1201123E-06 7 0.1223872E-07 8 0.4457844E-08 9 0.0000000E+00 v, j, mj = 0 5 1 0 0.2196916E-13 1 0.8983666E-01 2 0.1710111E-02 3 0.6215464E-02 4 0.7179522E-03 5 0.5851412E-04 6 0.1870044E-05 7 0.1784969E-07 8 0.1030717E-07 9 0.0000000E+00 v, j, mj = 0 5 2 0 0.4789617E-01 1 0.5984326E-01 2 0.5840530E-01 3 0.1410016E-01 4 0.1203745E-02 5 0.1083466E-03 6 0.3113768E-05 7 0.6344524E-07 8 0.6725742E-08 9 0.0000000E+00 v, j, mj = 0 5 3 0 0.4335138E-12 1 0.5917602E-01 2 0.5255271E-01 3 0.5203105E-02 4 0.3328996E-02 5 0.3766626E-03 6 0.1464925E-04 7 0.1502904E-06 8 0.4382975E-08 9 0.0000000E+00 v, j, mj = 0 5 4 0 0.1128403E-10 1 0.2312600E-01 2 0.7493958E-01 3 0.3625149E-01 4 0.5779001E-02 5 0.6911153E-03 6 0.1729160E-04 7 0.7921339E-07 8 0.5016917E-08 9 0.0000000E+00 v, j, mj = 0 5 5 0 0.1713564E-05 1 0.1467721E-02 2 0.2121783E-01 3 0.4202865E-01 4 0.2813302E-01 5 0.6295588E-02 6 0.2767135E-03 7 0.2123114E-05 8 0.8721621E-08 9 0.0000000E+00 v, j, mj = 0 7 -7 0 0.1470286E-09 1 0.2191115E-10 2 0.2318477E-08 3 0.1563499E-08 4 0.2206226E-08 5 0.6917310E-09 6 0.8374115E-09 7 0.3291782E-10 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -6 0 0.2409123E-14 1 0.4224231E-08 2 0.6816036E-08 3 0.5635672E-08 4 0.8357538E-09 5 0.1259507E-08 6 0.3652610E-09 7 0.5972672E-10 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -5 0 0.9486778E-14 1 0.3050298E-07 2 0.1357053E-07 3 0.3828326E-07 4 0.2185145E-08 5 0.1279828E-08 6 0.1110132E-08 7 0.1511146E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -4 0 0.2474966E-06 1 0.1673143E-07 2 0.4960939E-07 3 0.3898000E-06 4 0.3905474E-07 5 0.5859382E-08 6 0.6763347E-09 7 0.8403408E-10 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -3 0 0.4587872E-14 1 0.2583073E-06 2 0.4136862E-05 3 0.5240159E-05 4 0.2408597E-06 5 0.2390924E-07 6 0.3264310E-08 7 0.1999433E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -2 0 0.5191312E-13 1 0.8778928E-05 2 0.7407383E-04 3 0.2255967E-04 4 0.9204396E-06 5 0.3964696E-07 6 0.7374690E-08 7 0.3785424E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -1 0 0.9935429E-07 1 0.9076934E-04 2 0.2966912E-03 3 0.5109198E-04 4 0.7228733E-06 5 0.5926292E-07 6 0.9269682E-08 7 0.6986341E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 0 0 0.1094783E-11 1 0.2064296E-02 2 0.1076057E-02 3 0.5169454E-04 4 0.2219699E-06 5 0.6324759E-07 6 0.1547213E-07 7 0.8017715E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 1 0 0.5302677E-15 1 0.3381031E-02 2 0.1119722E-02 3 0.5863630E-04 4 0.4390294E-05 5 0.8944963E-07 6 0.1163643E-07 7 0.3675912E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 2 0 0.1044414E-01 1 0.2831352E-02 2 0.1094598E-02 3 0.1075516E-03 4 0.1813954E-05 5 0.4368730E-07 6 0.9546731E-08 7 0.2888510E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 3 0 0.2299941E-13 1 0.7882094E-02 2 0.1473681E-02 3 0.3748475E-04 4 0.1292347E-05 5 0.1252692E-06 6 0.3113559E-07 7 0.5794142E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 4 0 0.6393027E-12 1 0.1382555E-02 2 0.6420538E-03 3 0.1245176E-03 4 0.5598113E-05 5 0.1788509E-06 6 0.2163789E-07 7 0.9387486E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 5 0 0.2089582E-06 1 0.4082818E-04 2 0.1605821E-03 3 0.3777030E-04 4 0.7901800E-05 5 0.5543681E-06 6 0.2458396E-07 7 0.6119111E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 6 0 0.1989471E-12 1 0.2025499E-05 2 0.7512233E-05 3 0.4537803E-05 4 0.5326563E-06 5 0.4744927E-07 6 0.2430766E-07 7 0.9195461E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 7 0 0.4184165E-13 1 0.9511166E-06 2 0.1279867E-05 3 0.4867102E-06 4 0.1828960E-06 5 0.1881156E-06 6 0.3828581E-07 7 0.2980853E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -9 0 0.8566493E-17 1 0.2598849E-11 2 0.5108318E-11 3 0.2001461E-10 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -8 0 0.2195804E-16 1 0.1480557E-10 2 0.3727081E-10 3 0.2942546E-10 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -7 0 0.7387062E-11 1 0.4117111E-10 2 0.4930119E-10 3 0.9057875E-10 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -6 0 0.5172337E-16 1 0.3047296E-10 2 0.4499678E-10 3 0.1391611E-09 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -5 0 0.5239705E-17 1 0.9971346E-10 2 0.3339751E-09 3 0.5978182E-09 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -4 0 0.4061436E-09 1 0.4846777E-09 2 0.2627473E-08 3 0.5402679E-09 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -3 0 0.9669652E-18 1 0.4962519E-09 2 0.2418984E-08 3 0.3431318E-08 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -2 0 0.1880419E-16 1 0.2115833E-08 2 0.4352888E-08 3 0.1045147E-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 0.3697794E-08 1 0.5009233E-09 2 0.6081763E-08 3 0.2420091E-07 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 0 0 0.1293617E-16 1 0.5583888E-07 2 0.4452833E-07 3 0.7772441E-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 0.9361067E-17 1 0.4074919E-07 2 0.2458370E-06 3 0.1834959E-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 0.7195562E-06 1 0.5515903E-06 2 0.3616587E-06 3 0.1013822E-06 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 3 0 0.9495412E-17 1 0.2284826E-06 2 0.2284233E-06 3 0.2094947E-06 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 4 0 0.2600174E-15 1 0.3562933E-07 2 0.1438109E-07 3 0.1771778E-06 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 5 0 0.1002052E-07 1 0.1658060E-07 2 0.2262901E-07 3 0.6370190E-07 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 6 0 0.2486845E-16 1 0.2323509E-07 2 0.2253987E-07 3 0.1051784E-07 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 7 0 0.1823525E-16 1 0.2392264E-08 2 0.6269169E-08 3 0.6414997E-08 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 8 0 0.5249507E-08 1 0.6402822E-08 2 0.2916112E-07 3 0.8414665E-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 0.6644246E-17 1 0.1573484E-08 2 0.1743453E-08 3 0.3179245E-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 0.2126640E-08 1 0.2738427E-07 2 0.1189341E-06 3 0.1053314E-07 4 0.5039892E-08 5 0.2116066E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 1 0 0 0.1045668E-13 1 0.9430883E-06 2 0.1430719E-05 3 0.1715206E-06 4 0.1571632E-07 5 0.7126609E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 1 1 0 0.6165040E-16 1 0.3116213E-04 2 0.2201121E-04 3 0.1641832E-05 4 0.2724278E-07 5 0.4095234E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 -3 0 0.5647363E-18 1 0.7228604E-09 2 0.1478937E-08 3 0.9028186E-09 4 0.4855223E-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 0.7653505E-16 1 0.3123657E-08 2 0.1192980E-08 3 0.4550782E-08 4 0.6966467E-09 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 -1 0 0.1084615E-08 1 0.9886143E-09 2 0.1342134E-08 3 0.7926189E-08 4 0.4160181E-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 0.4290891E-15 1 0.4872010E-07 2 0.8417435E-07 3 0.8319947E-08 4 0.1300183E-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 0.3772940E-16 1 0.2055815E-05 2 0.8581771E-06 3 0.7917740E-07 4 0.1579024E-08 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 2 0 0.1340381E-06 1 0.2741866E-06 2 0.1692110E-06 3 0.1743864E-07 4 0.1812777E-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 0.1607803E-16 1 0.2093221E-06 2 0.5840493E-07 3 0.1063708E-07 4 0.1655082E-08 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 sum of the probabilities = 1.0007309 average vibrational energy (ev) = 0.000031 average rotational energy (ev) = 0.185308 average diffraction energy (ev) = 0.028144 the reaction probability = -0.7309419D-03 etrans(icomin)= 0.151114 etrans(icomax)= 0.548327 etrans= 0.550000 CPU TIMES Total computation 94655.5920 (a) ... Propagating the wavefunction 92724.6433 (b) Setup time 1718.8665 Saving the wave function for rerun 38.1587 Calculating averages 4.8068 Calculating and saving BK-coeffs 15.5135 Asymptotic analysis 3.6702 Saving the flux coefficients 0.0000 Flux analysis 0.0000 ----------------------------------------------------- Sum 94505.6589 (a) ... FFTs along X and Y 4298.3184 Kinetic energy operation along Z 26823.9849 Kinetic energy operation along r 19371.7478 Potential energy multiplication 11252.7762 Legengre transforms 24924.2622 Shifting the wavefunction 2036.4633 Kinetic energy multiplications (xy) 424.6636 Absorbing the wavefunction 491.2170 Projection formalism 16.0981 Operations on specular grid 0.1642 ----------------------------------------------------- Sum 89639.6957 (b) ... Potential initialisation time 0.0000 Potential setup time 1698.2264 FFTs along X 2226.4698 FFTs along Y 2071.8487 Time spent on FGH for asympwf 0.4324 Ending date and time: Tue Jul 23 06:47:27 CEST 2019