Starting date and time: Sun Aug 11 00:44:48 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 20190811 at 004448.894 *** * 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: v0j8mj1-0.15eV-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.: 32 * Maximum Mj value in grid representation.: 32 * 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: 8 * Initial rotational quantum number Mj: 1 * 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: 8 * Mj in: 1 * Maximum J value in grid rep.: 32 * 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 = 33 ... * Setting up the angular grid module with JMax = 32 ... * The nearest size allowed by FFT routines ( 66 ) for phi grid will be used ... * Setting up the angular grid and basis functions... *** THE GRID PARAMETERS *** * Number of phi's : 66 * Delta value in phi coordinate : 9.519977738150888E-002 * Number of theta's : 17 * JMax in basis set : 32 * JMin in basis set : 0 * Delta J in basis set : 2 * Grid has been set up for JIn = 8 , MjIn = 1 ... *** 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 = 0.65088272E-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 = 17 Number of points in phi for which the potential is calculated = 66 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 = 83 iz = 82 iz = 84 iz = 85 iz = 87 iz = 86 iz = 88 iz = 89 iz = 91 iz = 90 iz = 92 iz = 93 iz = 95 iz = 94 iz = 96 iz = 99 iz = 97 iz = 98 iz = 100 iz = 103 iz = 101 iz = 102 iz = 104 iz = 107 iz = 105 iz = 106 iz = 108 iz = 111 iz = 109 iz = 110 iz = 112 iz = 115 iz = 113 iz = 114 iz = 116 iz = 119 iz = 117 iz = 118 iz = 120 iz = 123 iz = 121 iz = 122 iz = 124 iz = 125 iz = 127 iz = 126 iz = 128 iz = 131 iz = 129 iz = 130 iz = 132 iz = 135 iz = 133 iz = 134 iz = 136 iz = 139 iz = 137 iz = 138 iz = 140 iz = 143 iz = 141 iz = 147 iz = 151 iz = 155 iz = 159 iz = 145 iz = 149 iz = 153 iz = 157 iz = 161 iz = 142 iz = 144 iz = 148 iz = 152 iz = 156 iz = 160 iz = 146 iz = 150 iz = 154 iz = 158 iz = 162 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_32_32. 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 = 0.27962425E+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 -0.495022 0.1108407D-01 0.6766701D-03 1.0000000 1.4592222 0 1 -4.872088 -0.480550 0.1074900D-01 0.6544072D-03 1.0000000 1.4614064 0 2 -4.843277 -0.451739 0.1010829D-01 0.6120063D-03 1.0000000 1.4657641 0 3 -4.800385 -0.408847 0.9216637D-02 0.5533927D-03 1.0000000 1.4722741 0 4 -4.743793 -0.352255 0.8146544D-02 0.4837088D-03 1.0000000 1.4809057 0 5 -4.673990 -0.282452 0.6978806D-02 0.4085885D-03 1.0000000 1.4916191 0 6 -4.591560 -0.200022 0.5792699D-02 0.3334277D-03 1.0000000 1.5043673 0 7 -4.497167 -0.105629 0.4657444D-02 0.2627771D-03 1.0000000 1.5190968 0 8 -4.391538 0.000000 0.3626184D-02 0.1999469D-03 1.0000000 1.5357497 0 9 -4.275447 0.116091 0.2733089D-02 0.1468600D-03 1.0000000 1.5542650 0 10 -4.149699 0.241839 0.1993548D-02 0.1041307D-03 1.0000000 1.5745804 0 11 -4.015115 0.376423 0.1406814D-02 0.7131162D-04 1.0000000 1.5966338 0 12 -3.872520 0.519018 0.9601839D-03 0.4722808D-04 1.0000000 1.6203649 0 13 -3.722731 0.668807 0.6336524D-03 0.3032238D-04 1.0000000 1.6457168 0 14 -3.566546 0.824993 0.4042006D-03 0.1895074D-04 1.0000000 1.6726370 0 15 -3.404739 0.986799 0.2491495D-03 0.1159880D-04 1.0000000 1.7010784 0 16 -3.238056 1.153482 0.1483557D-03 0.7007247D-05 1.0000000 1.7310003 0 17 -3.067207 1.324331 0.8530722D-04 0.4216678D-05 1.0000000 1.7623681 0 18 -2.892866 1.498672 0.4735220D-04 0.2552000D-05 1.0000000 1.7951540 0 19 -2.715668 1.675870 0.2535977D-04 0.1570764D-05 1.0000000 1.8293366 0 20 -2.536212 1.855326 0.1309290D-04 0.9984743D-06 1.0000000 1.8649010 0 21 -2.355055 2.036483 0.6506324D-05 0.6687072D-06 1.0000000 1.9018391 0 22 -2.172720 2.218818 0.3103067D-05 0.4784094D-06 1.0000000 1.9401511 0 23 -1.989692 2.401846 0.1413474D-05 0.3609022D-06 1.0000000 1.9798469 0 24 -1.806422 2.585116 0.6108915D-06 0.2730916D-06 1.0000000 2.0209484 0 25 -1.623330 2.768208 0.2496658D-06 0.1905184D-06 1.0000000 2.0634922 0 26 -1.440808 2.950730 0.9869287D-07 0.1043847D-06 1.0000000 2.1075305 0 27 -1.259222 3.132316 0.4237105D-07 0.1735779D-07 1.0000000 2.1531306 0 28 -1.078916 3.312622 -0.2502810D-07 0.6205393D-07 1.0000000 2.2003723 0 29 -0.900213 3.491325 -0.2121238D-07 0.1249720D-06 1.0000000 2.2493422 0 30 -0.723415 3.668123 -0.2031340D-07 0.1657846D-06 1.0000000 2.3001271 0 31 -0.548804 3.842735 -0.1871562D-07 0.1833134D-06 1.0000000 2.3528071 0 32 -0.376639 4.014900 -0.1582985D-07 0.1800695D-06 1.0000000 2.4074525 1 0 -4.377131 0.014408 0.2956956D-01 0.2094185D-02 1.0000000 1.5567653 1 1 -4.363394 0.028144 0.2872491D-01 0.2028557D-02 1.0000000 1.5589873 1 2 -4.336044 0.055494 0.2710458D-01 0.1903183D-02 1.0000000 1.5634221 1 3 -4.295327 0.096212 0.2483768D-01 0.1728998D-02 1.0000000 1.5700508 1 4 -4.241599 0.149939 0.2209741D-01 0.1520482D-02 1.0000000 1.5788466 1 5 -4.175323 0.216215 0.1908004D-01 0.1293749D-02 1.0000000 1.5897747 1 6 -4.097050 0.294488 0.1598258D-01 0.1064561D-02 1.0000000 1.6027943 1 7 -4.007410 0.384128 0.1298220D-01 0.8466080D-03 1.0000000 1.6178591 1 8 -3.907091 0.484448 0.1022065D-01 0.6502907D-03 1.0000000 1.6349192 1 9 -3.796830 0.594709 0.7795213D-02 0.4821432D-03 1.0000000 1.6539220 1 10 -3.677394 0.714144 0.5756893D-02 0.3448852D-03 1.0000000 1.6748131 1 11 -3.549570 0.841968 0.4114855D-02 0.2379758D-03 1.0000000 1.6975372 1 12 -3.414146 0.977392 0.2845305D-02 0.1584757D-03 1.0000000 1.7220385 1 13 -3.271907 1.119631 0.1902477D-02 0.1020129D-03 1.0000000 1.7482614 1 14 -3.123619 1.267919 0.1229541D-02 0.6367986D-04 1.0000000 1.7761507 1 15 -2.970025 1.421513 0.7677620D-03 0.3874540D-04 1.0000000 1.8056544 1 16 -2.811840 1.579698 0.4630331D-03 0.2312868D-04 1.0000000 1.8367256 1 17 -2.649741 1.741797 0.2696261D-03 0.1363161D-04 1.0000000 1.8693275 1 18 -2.484372 1.907166 0.1515515D-03 0.7964809D-05 1.0000000 1.9034382 1 19 -2.316341 2.075197 0.8220347D-04 0.4625799D-05 1.0000000 1.9390543 1 20 -2.146220 2.245318 0.4300803D-04 0.2699686D-05 1.0000000 1.9761940 1 21 -1.974553 2.416985 0.2167862D-04 0.1649070D-05 1.0000000 2.0148935 1 22 -1.801852 2.589686 0.1049672D-04 0.1143608D-05 1.0000000 2.0552011 1 23 -1.628604 2.762934 0.4849161D-05 0.9535120D-06 1.0000000 2.0971646 1 24 -1.455263 2.936275 0.2106913D-05 0.9041519D-06 1.0000000 2.1408178 1 25 -1.282253 3.109285 0.8363547D-06 0.8699011D-06 1.0000000 2.1861690 1 26 -1.109959 3.281579 0.2853172D-06 0.7800547D-06 1.0000000 2.2331972 1 27 -0.938728 3.452810 0.7152578D-07 0.6172292D-06 1.0000000 2.2818597 1 28 -0.768863 3.622676 0.5955816D-08 0.4025537D-06 1.0000000 2.3321141 1 29 -0.600629 3.790909 -0.1855380D-08 0.1736366D-06 1.0000000 2.3839503 1 30 -0.434265 3.957273 -0.7203174D-08 0.3474696D-07 1.0000000 2.4374261 1 31 -0.269989 4.121549 -0.1667264D-07 0.2008302D-06 1.0000000 2.4926969 1 32 -0.108020 4.283518 -0.2151494D-07 0.3169960D-06 1.0000000 2.5500321 2 0 -3.893806 0.497732 0.5771819D-01 0.4751239D-02 1.0000000 1.6575165 2 1 -3.880782 0.510756 0.5615908D-01 0.4609568D-02 1.0000000 1.6597984 2 2 -3.854850 0.536688 0.5315887D-01 0.4338129D-02 1.0000000 1.6643531 2 3 -3.816243 0.575296 0.4894017D-01 0.3959188D-02 1.0000000 1.6711626 2 4 -3.765299 0.626239 0.4380517D-01 0.3502542D-02 1.0000000 1.6802002 2 5 -3.702455 0.689083 0.3810226D-01 0.3001846D-02 1.0000000 1.6914311 2 6 -3.628235 0.763304 0.3218887D-01 0.2490697D-02 1.0000000 1.7048133 2 7 -3.543232 0.848306 0.2639577D-01 0.1999073D-02 1.0000000 1.7202983 2 8 -3.448099 0.943439 0.2099758D-01 0.1550658D-02 1.0000000 1.7378329 2 9 -3.343534 1.048005 0.1619351D-01 0.1161345D-02 1.0000000 1.7573614 2 10 -3.230260 1.161278 0.1209991D-01 0.8389907D-03 1.0000000 1.7788292 2 11 -3.109020 1.282518 0.8754491D-02 0.5842474D-03 1.0000000 1.8021864 2 12 -2.980561 1.410977 0.6129547D-02 0.3921294D-03 1.0000000 1.8273924 2 13 -2.845627 1.545911 0.4150647D-02 0.2539269D-03 1.0000000 1.8544197 2 14 -2.704953 1.686585 0.2716632D-02 0.1591155D-03 1.0000000 1.8832547 2 15 -2.559257 1.832281 0.1717553D-02 0.9700017D-04 1.0000000 1.9138957 2 16 -2.409239 1.982299 0.1048338D-02 0.5794320D-04 1.0000000 1.9463452 2 17 -2.255573 2.135965 0.6174369D-03 0.3411118D-04 1.0000000 1.9806003 2 18 -2.098905 2.292633 0.3507947D-03 0.1975138D-04 1.0000000 2.0166416 2 19 -1.939841 2.451697 0.1922546D-03 0.1106586D-04 1.0000000 2.0544251 2 20 -1.778945 2.612593 0.1016680D-03 0.5806463D-05 1.0000000 2.0938824 2 21 -1.616734 2.774804 0.5189138D-04 0.2750023D-05 1.0000000 2.1349296 2 22 -1.453671 2.937867 0.2554657D-04 0.1212388D-05 1.0000000 2.1774871 2 23 -1.290177 3.101362 0.1208783D-04 0.7130541D-06 1.0000000 2.2215056 2 24 -1.126630 3.264908 0.5441000D-05 0.8240646D-06 1.0000000 2.2669927 2 25 -0.963384 3.428154 0.2274031D-05 0.1161683D-05 1.0000000 2.3140301 2 26 -0.800777 3.590761 0.8340432D-06 0.1439803D-05 1.0000000 2.3627752 2 27 -0.639142 3.752396 0.2271824D-06 0.1510905D-05 1.0000000 2.4134430 2 28 -0.478807 3.912731 0.6553576D-08 0.1358787D-05 1.0000000 2.4662759 2 29 -0.320101 4.071437 -0.4767921D-07 0.1049775D-05 1.0000000 2.5215137 2 30 -0.163340 4.228198 -0.4035016D-07 0.6729239D-06 1.0000000 2.5793812 2 31 -0.008828 4.382710 -0.1809269D-07 0.2977293D-06 1.0000000 2.6401056 2 32 0.143150 4.534689 -0.8700250D-09 0.4330716D-07 1.0000000 2.7039613 energy initial v,j state = -4.391538 potential energy = -4.987158 rotational energy = 0.470085 vibrational energy = 0.125535 rovibrational energy = 0.595619 expectation value r = 1.535750 ******************************************************************************** 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 ******************************************************************************** 561 rotation channels in basis (nrotw) * number of rotational states analysed, nana = 91 * initial rotational state in basis, ichn = 293 ******************************************************************************** INFO FROM SETTING UP THE ROTATION-DIFFRACTION BASIS ******************************************************************************** ***** rotation-diffraction channels in basis (nstatw) * Number of rotation-diffraction analysed, nstata = 24661 * Index of initial rot-dif channel in basis, inchna = 14093 ******************************************************************************** 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 = 12 * Maximum v in analysis: nviba = 3 * 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 1.53574968 0.10000000E+01 0.50000000E+02 0.99999999 17.27377086 1.53575595 0.99999999E+00 0.10000000E+03 0.99999998 17.14754172 1.53576245 0.99999997E+00 0.15000000E+03 0.99999998 17.02131258 1.53576358 0.99999980E+00 0.20000000E+03 0.99999997 16.89508344 1.53576327 0.99999855E+00 0.25000000E+03 0.99999996 16.76885430 1.53576208 0.99998985E+00 0.30000000E+03 0.99999995 16.64262516 1.53575699 0.99993931E+00 0.35000000E+03 0.99999994 16.51639602 1.53575039 0.99969724E+00 0.40000000E+03 0.99999993 16.39016687 1.53575402 0.99874791E+00 0.45000000E+03 0.99999993 16.26393773 1.53576283 0.99569675E+00 0.50000000E+03 0.99999992 16.13770858 1.53576403 0.98760724E+00 0.55000000E+03 0.99999991 16.01147941 1.53576306 0.96972261E+00 0.60000000E+03 0.99999990 15.88525016 1.53576173 0.93629620E+00 0.65000000E+03 0.99999989 15.75902072 1.53575759 0.88265997E+00 0.70000000E+03 0.99999989 15.63279086 1.53575147 0.80756273E+00 0.75000000E+03 0.99999988 15.50656013 1.53575255 0.71431863E+00 0.80000000E+03 0.99999987 15.38032789 1.53576231 0.61003008E+00 0.85000000E+03 0.99999986 15.25409318 1.53576495 0.50340989E+00 0.90000000E+03 0.99999985 15.12785481 1.53576291 0.40241938E+00 0.95000000E+03 0.99999984 15.00161134 1.53576136 0.31270931E+00 0.10000000E+04 0.99999984 14.87536121 1.53575794 0.23716178E+00 0.10500000E+04 0.99999983 14.74910281 1.53575248 0.17627134E+00 0.11000000E+04 0.99999982 14.62283452 1.53575195 0.12891004E+00 0.11500000E+04 0.99999981 14.49655480 1.53576079 0.93104775E-01 0.12000000E+04 0.99999980 14.37026218 1.53576638 0.66633383E-01 0.12500000E+04 0.99999979 14.24395525 1.53576299 0.47394719E-01 0.13000000E+04 0.99999979 14.11763261 1.53576159 0.33589151E-01 0.13500000E+04 0.99999978 13.99129287 1.53575904 0.23771132E-01 0.14000000E+04 0.99999977 13.86493454 1.53575534 0.16830009E-01 0.14500000E+04 0.99999976 13.73855597 1.53575551 0.11939073E-01 0.15000000E+04 0.99999975 13.61215533 1.53576534 0.84968641E-02 0.15500000E+04 0.99999975 13.48573052 1.53577678 0.60728911E-02 0.16000000E+04 0.99999974 13.35927910 1.53577929 0.43625372E-02 0.16500000E+04 0.99999973 13.23279829 1.53578306 0.31518931E-02 0.17000000E+04 0.99999972 13.10628488 1.53579100 0.22914455E-02 0.17500000E+04 0.99999971 12.97973527 1.53579894 0.16769331E-02 0.18000000E+04 0.99999970 12.85314544 1.53581250 0.12356814E-02 0.18500000E+04 0.99999970 12.72651097 1.53583678 0.91698057E-03 0.19000000E+04 0.99999969 12.59982709 1.53586717 0.68536713E-03 0.19500000E+04 0.99999968 12.47308870 1.53589162 0.51596038E-03 0.20000000E+04 0.99999967 12.34629041 1.53591467 0.39123505E-03 0.20500000E+04 0.99999966 12.21942664 1.53594577 0.29879176E-03 0.21000000E+04 0.99999965 12.09249161 1.53597783 0.22981309E-03 0.21500000E+04 0.99999965 11.96547941 1.53601471 0.17799622E-03 0.22000000E+04 0.99999964 11.83838402 1.53606102 0.13881062E-03 0.22500000E+04 0.99999963 11.71119933 1.53611451 0.10898068E-03 0.23000000E+04 0.99999962 11.58391918 1.53616310 0.86124823E-04 0.23500000E+04 0.99999961 11.45653733 1.53620616 0.68500061E-04 0.24000000E+04 0.99999961 11.32904749 1.53625563 0.54823583E-04 0.24500000E+04 0.99999960 11.20144333 1.53630825 0.44145409E-04 0.25000000E+04 0.99999959 11.07371848 1.53636134 0.35757821E-04 0.25500000E+04 0.99999958 10.94586656 1.53642323 0.29130485E-04 0.26000000E+04 0.99999957 10.81788121 1.53649091 0.23863721E-04 0.26500000E+04 0.99999956 10.68975612 1.53655597 0.19654378E-04 0.27000000E+04 0.99999956 10.56148509 1.53661295 0.16272153E-04 0.27500000E+04 0.99999955 10.43306212 1.53667359 0.13539914E-04 0.28000000E+04 0.99999954 10.30448151 1.53674122 0.11321405E-04 0.28500000E+04 0.99999953 10.17573795 1.53680846 0.95110752E-05 0.29000000E+04 0.99999952 10.04682671 1.53688328 0.80267180E-05 0.29500000E+04 0.99999952 9.91774379 1.53696655 0.68037630E-05 0.30000000E+04 0.99999951 9.78848614 1.53704992 0.57920323E-05 0.30500000E+04 0.99999950 9.65905185 1.53712797 0.49512427E-05 0.31000000E+04 0.99999949 9.52944049 1.53720920 0.42495450E-05 0.31500000E+04 0.99999948 9.39965334 1.53730310 0.36614982E-05 0.32000000E+04 0.99999947 9.26969379 1.53740378 0.31667091E-05 0.32500000E+04 0.99999947 9.13956766 1.53751407 0.27487695E-05 0.33000000E+04 0.99999946 9.00928363 1.53764248 0.23944101E-05 0.33500000E+04 0.99999945 8.87885369 1.53778129 0.20928392E-05 0.34000000E+04 0.99999944 8.74829363 1.53792766 0.18352449E-05 0.34500000E+04 0.99999943 8.61762355 1.53808806 0.16144252E-05 0.35000000E+04 0.99999942 8.48686838 1.53827808 0.14244952E-05 0.35500000E+04 0.99999941 8.35605853 1.53849787 0.12603948E-05 0.36000000E+04 0.99999941 8.22523043 1.53874820 0.11186056E-05 0.36500000E+04 0.99999940 8.09442720 1.53904233 0.99552485E-06 0.37000000E+04 0.99999939 7.96369928 1.53938117 0.88833164E-06 0.37500000E+04 0.99999938 7.83310507 1.53976191 0.79467456E-06 0.38000000E+04 0.99999937 7.70271160 1.54019494 0.71261666E-06 0.38500000E+04 0.99999936 7.57259512 1.54069685 0.64056137E-06 0.39000000E+04 0.99999935 7.44284173 1.54127832 0.57716757E-06 0.39500000E+04 0.99999934 7.31354788 1.54193808 0.52107519E-06 0.40000000E+04 0.99999932 7.18482086 1.54268809 0.47169417E-06 0.40500000E+04 0.99999930 7.05677918 1.54353614 0.42793391E-06 0.41000000E+04 0.99999927 6.92955286 1.54447590 0.38903442E-06 0.41500000E+04 0.99999923 6.80328355 1.54551184 0.35434404E-06 0.42000000E+04 0.99999917 6.67812459 1.54665383 0.32331698E-06 0.42500000E+04 0.99999908 6.55424088 1.54790716 0.29551349E-06 0.43000000E+04 0.99999894 6.43180851 1.54926299 0.27058702E-06 0.43500000E+04 0.99999875 6.31101441 1.55071337 0.24805646E-06 0.44000000E+04 0.99999848 6.19205561 1.55225488 0.22804391E-06 0.44500000E+04 0.99999809 6.07513853 1.55386854 0.21006817E-06 0.45000000E+04 0.99999755 5.96047800 1.55553473 0.19385724E-06 0.45500000E+04 0.99999683 5.84829612 1.55724470 0.17917373E-06 0.46000000E+04 0.99999586 5.73882100 1.55898541 0.16582971E-06 0.46500000E+04 0.99999460 5.63228528 1.56073663 0.15367768E-06 0.47000000E+04 0.99999298 5.52892455 1.56247370 0.14259313E-06 0.47500000E+04 0.99999093 5.42897551 1.56418149 0.13246753E-06 0.48000000E+04 0.99998839 5.33267419 1.56584152 0.12321479E-06 0.48500000E+04 0.99998526 5.24025384 1.56743174 0.11477568E-06 0.49000000E+04 0.99998149 5.15194292 1.56894160 0.10710501E-06 0.49500000E+04 0.99997701 5.06796295 1.57036504 0.99942091E-07 0.50000000E+04 0.99997174 4.98852643 1.57169086 0.93622903E-07 0.50500000E+04 0.99996563 4.91383477 1.57290488 0.87843157E-07 0.51000000E+04 0.99995863 4.84407642 1.57399574 0.82506654E-07 0.51500000E+04 0.99995072 4.77942514 1.57495533 0.77542292E-07 0.52000000E+04 0.99994188 4.72003854 1.57577035 0.72905884E-07 0.52500000E+04 0.99993212 4.66605685 1.57643305 0.68578328E-07 0.53000000E+04 0.99992146 4.61760196 1.57694319 0.64542782E-07 0.53500000E+04 0.99990996 4.57477668 1.57729970 0.60781423E-07 0.54000000E+04 0.99989767 4.53766434 1.57750048 0.57293221E-07 0.54500000E+04 0.99988470 4.50632848 1.57754578 0.54053617E-07 0.55000000E+04 0.99987114 4.48081292 1.57744068 0.51059689E-07 0.55500000E+04 0.99985713 4.46114198 1.57719025 0.48134506E-07 0.56000000E+04 0.99984280 4.44732087 1.57680067 0.45582004E-07 0.56500000E+04 0.99982829 4.43933636 1.57628395 0.43214045E-07 0.57000000E+04 0.99981376 4.43715751 1.57565223 0.41060253E-07 0.57500000E+04 0.99979936 4.44073669 1.57491472 0.38957350E-07 0.58000000E+04 0.99978522 4.45001061 1.57407983 0.36976812E-07 0.58500000E+04 0.99977148 4.46490142 1.57315661 0.35291980E-07 0.59000000E+04 0.99975825 4.48531796 1.57215449 0.33583865E-07 0.59500000E+04 0.99974561 4.51115687 1.57108203 0.31862424E-07 0.60000000E+04 0.99973364 4.54230379 1.56995085 0.30657887E-07 0.60500000E+04 0.99972239 4.57863446 1.56877390 0.29433026E-07 0.61000000E+04 0.99971188 4.62001579 1.56756174 0.27577431E-07 0.61500000E+04 0.99970212 4.66630700 1.56632290 0.26455077E-07 0.62000000E+04 0.99969311 4.71736059 1.56506501 0.26254240E-07 0.62500000E+04 0.99968483 4.77302343 1.56379506 0.24445240E-07 0.63000000E+04 0.99967725 4.83313770 1.56251943 0.22512212E-07 0.63500000E+04 0.99967034 4.89754190 1.56124555 0.23339972E-07 0.64000000E+04 0.99966405 4.96607171 1.55998267 0.23964635E-07 0.64500000E+04 0.99965834 5.03856093 1.55873859 0.21455412E-07 ==> ZAnalysis on specular channel fixed at Z = 0.16800000E+02 0.65000000E+04 0.99965316 5.11484229 1.55751832 0.21192130E-07 0.65500000E+04 0.99964844 5.19474828 1.55632453 0.25497246E-07 0.66000000E+04 0.99964414 5.27811190 1.55515822 0.26947673E-07 0.66500000E+04 0.99964018 5.36476740 1.55402014 0.24358609E-07 0.67000000E+04 0.99963648 5.45455088 1.55291260 0.26142233E-07 0.67500000E+04 0.99963295 5.54730083 1.55184058 0.32640707E-07 0.68000000E+04 0.99962948 5.64285857 1.55080959 0.35477674E-07 0.68500000E+04 0.99962591 5.74106859 1.54982261 0.33482411E-07 0.69000000E+04 0.99962204 5.84177881 1.54887914 0.32930789E-07 0.69500000E+04 0.99961764 5.94484078 1.54797577 0.36239292E-07 0.70000000E+04 0.99961234 6.05010975 1.54710833 0.40220253E-07 0.70500000E+04 0.99960570 6.15744470 1.54627487 0.41245963E-07 0.71000000E+04 0.99959713 6.26670819 1.54547746 0.38648557E-07 0.71500000E+04 0.99958585 6.37776621 1.54472095 0.35908299E-07 0.72000000E+04 0.99957085 6.49048789 1.54400875 0.38236386E-07 0.72500000E+04 0.99955088 6.60474519 1.54334006 0.46948975E-07 0.73000000E+04 0.99952436 6.72041255 1.54270978 0.57618521E-07 0.73500000E+04 0.99948933 6.83736657 1.54211105 0.65604825E-07 0.74000000E+04 0.99944347 6.95548560 1.54153917 0.74107594E-07 0.74500000E+04 0.99938397 7.07464944 1.54099439 0.95047393E-07 0.75000000E+04 0.99930754 7.19473898 1.54048131 0.13806749E-06 0.75500000E+04 0.99921036 7.31563597 1.54000459 0.19859475E-06 0.76000000E+04 0.99908803 7.43722276 1.53956446 0.26222461E-06 0.76500000E+04 0.99893557 7.55938221 1.53915596 0.32278561E-06 0.77000000E+04 0.99874738 7.68199760 1.53877151 0.38972682E-06 0.77500000E+04 0.99851723 7.80495273 1.53840542 0.47244617E-06 0.78000000E+04 0.99823832 7.92813207 1.53805730 0.56179794E-06 0.78500000E+04 0.99790326 8.05142112 1.53773201 0.63402808E-06 0.79000000E+04 0.99750414 8.17470688 1.53743552 0.67446731E-06 0.79500000E+04 0.99703265 8.29787855 1.53716944 0.69755964E-06 0.80000000E+04 0.99648013 8.42082832 1.53692930 0.75716502E-06 0.80500000E+04 0.99583774 8.54345235 1.53670736 0.97895723E-06 0.81000000E+04 0.99509656 8.66565170 1.53649751 0.16489705E-05 0.81500000E+04 0.99424778 8.78733336 1.53629912 0.33414089E-05 0.82000000E+04 0.99328278 8.90841103 1.53611729 0.70411396E-05 0.82500000E+04 0.99219332 9.02880588 1.53595874 0.14274184E-04 0.83000000E+04 0.99097158 9.14844693 1.53582597 0.27350793E-04 0.83500000E+04 0.98961027 9.26727129 1.53571456 0.49794568E-04 0.84000000E+04 0.98810265 9.38522408 1.53561601 0.86860500E-04 0.84500000E+04 0.98644259 9.50225832 1.53552328 0.14591546E-03 0.85000000E+04 0.98462454 9.61833457 1.53543523 0.23658564E-03 0.85500000E+04 0.98264360 9.73342069 1.53535707 0.37085627E-03 0.86000000E+04 0.98049548 9.84749160 1.53529625 0.56337720E-03 0.86500000E+04 0.97817663 9.96052913 1.53525630 0.83197310E-03 0.87000000E+04 0.97568421 10.07252201 1.53523318 0.11979352E-02 0.87500000E+04 0.97301623 10.18346607 1.53521769 0.16856080E-02 0.88000000E+04 0.97017164 10.29336444 1.53520177 0.23212168E-02 0.88500000E+04 0.96715045 10.40222808 1.53518366 0.31314346E-02 0.89000000E+04 0.96395390 10.51007621 1.53516878 0.41422496E-02 0.89500000E+04 0.96058463 10.61693695 1.53516571 0.53782854E-02 0.90000000E+04 0.95704678 10.72284786 1.53517951 0.68621651E-02 0.90500000E+04 0.95334618 10.82785635 1.53520708 0.86133750E-02 0.91000000E+04 0.94949040 10.93201984 1.53523871 0.10646617E-01 0.91500000E+04 0.94548877 11.03540559 1.53526469 0.12970251E-01 0.92000000E+04 0.94135231 11.13809005 1.53528160 0.15585595E-01 0.92500000E+04 0.93709362 11.24015785 1.53529406 0.18487444E-01 0.93000000E+04 0.93272660 11.34170030 1.53531113 0.21665487E-01 0.93500000E+04 0.92826621 11.44281360 1.53533959 0.25105716E-01 0.94000000E+04 0.92372809 11.54359688 1.53537866 0.28791175E-01 0.94500000E+04 0.91912827 11.64415006 1.53542034 0.32701937E-01 0.95000000E+04 0.91448274 11.74457178 1.53545583 0.36814621E-01 0.95500000E+04 0.90980716 11.84495745 1.53548218 0.41101905E-01 0.96000000E+04 0.90511647 11.94539744 1.53550421 0.45532450E-01 0.96500000E+04 0.90042464 12.04597552 1.53553070 0.50071244E-01 0.97000000E+04 0.89574442 12.14676756 1.53556761 0.54680336E-01 0.97500000E+04 0.89108711 12.24784051 1.53561256 0.59319924E-01 0.98000000E+04 0.88646240 12.34925155 1.53565543 0.63949455E-01 0.98500000E+04 0.88187822 12.45104747 1.53568543 0.68528638E-01 0.99000000E+04 0.87734059 12.55326411 1.53569928 0.73018458E-01 0.99500000E+04 0.87285352 12.65592588 1.53570385 0.77382045E-01 0.10000000E+05 0.86841885 12.75904539 1.53571168 0.81585519E-01 0.10050000E+05 0.86403616 12.86262305 1.53573280 0.85598984E-01 0.10100000E+05 0.85970275 12.96664684 1.53576757 0.89397511E-01 0.10150000E+05 0.85541355 13.07109235 1.53580606 0.92961918E-01 0.10200000E+05 0.85116126 13.17592292 1.53583490 0.96279070E-01 0.10250000E+05 0.84693643 13.28109021 1.53584693 0.99341168E-01 0.10300000E+05 0.84272772 13.38653492 1.53584574 0.10214424E+00 0.10350000E+05 0.83852208 13.49218781 1.53584241 0.10468633E+00 0.10400000E+05 0.83430517 13.59797084 1.53584768 0.10696597E+00 0.10450000E+05 0.83006155 13.70379840 1.53586460 0.10898154E+00 0.10500000E+05 0.82577511 13.80957860 1.53588659 0.11073184E+00 0.10550000E+05 0.82142929 13.91521445 1.53590283 0.11221702E+00 0.10600000E+05 0.81700735 14.02060506 1.53590694 0.11343954E+00 0.10650000E+05 0.81249255 14.12564671 1.53590163 0.11440453E+00 0.10700000E+05 0.80786833 14.23023381 1.53589578 0.11511947E+00 0.10750000E+05 0.80311833 14.33425979 1.53589739 0.11559358E+00 0.10800000E+05 0.79822655 14.43761786 1.53590765 0.11583730E+00 0.10850000E+05 0.79317732 14.54020179 1.53591973 0.11586205E+00 0.10900000E+05 0.78795542 14.64190656 1.53592419 0.11568022E+00 0.10950000E+05 0.78254617 14.74262906 1.53591691 0.11530502E+00 0.11000000E+05 0.77693559 14.84226873 1.53590302 0.11475009E+00 0.11050000E+05 0.77111055 14.94072832 1.53589300 0.11402883E+00 0.11100000E+05 0.76505901 15.03791455 1.53589475 0.11315379E+00 0.11150000E+05 0.75877023 15.13373888 1.53590778 0.11213649E+00 0.11200000E+05 0.75223496 15.22811817 1.53592282 0.11098762E+00 0.11250000E+05 0.74544565 15.32097538 1.53592789 0.10971763E+00 0.11300000E+05 0.73839658 15.41224021 1.53591711 0.10833725E+00 0.11350000E+05 0.73108392 15.50184966 1.53589567 0.10685752E+00 0.11400000E+05 0.72350579 15.58974850 1.53587627 0.10528938E+00 0.11450000E+05 0.71566226 15.67588971 1.53587016 0.10364305E+00 0.11500000E+05 0.70755530 15.76023476 1.53587979 0.10192774E+00 0.11550000E+05 0.69918875 15.84275375 1.53589710 0.10015177E+00 0.11600000E+05 0.69056823 15.92342548 1.53590845 0.98323093E-01 0.11650000E+05 0.68170108 16.00223721 1.53590394 0.96449721E-01 0.11700000E+05 0.67259624 16.07918432 1.53588446 0.94539677E-01 0.11750000E+05 0.66326415 16.15426974 1.53586097 0.92600560E-01 0.11800000E+05 0.65371656 16.22750323 1.53584667 0.90638998E-01 0.11850000E+05 0.64396642 16.29890057 1.53584867 0.88660496E-01 0.11900000E+05 0.63402770 16.36848265 1.53586403 0.86669832E-01 0.11950000E+05 0.62391519 16.43627455 1.53588142 0.84671700E-01 0.12000000E+05 0.61364432 16.50230479 1.53588835 0.82671123E-01 0.12050000E+05 0.60323103 16.56660455 1.53587946 0.80673337E-01 0.12100000E+05 0.59269157 16.62920708 1.53585943 0.78683282E-01 0.12150000E+05 0.58204239 16.69014728 1.53583891 0.76705075E-01 0.12200000E+05 0.57130001 16.74946142 1.53582754 0.74741830E-01 0.12250000E+05 0.56048095 16.80718693 1.53582898 0.72795910E-01 0.12300000E+05 0.54960161 16.86336229 1.53583927 0.70869415E-01 0.12350000E+05 0.53867820 16.91802703 1.53584981 0.68964530E-01 0.12400000E+05 0.52772669 16.97122157 1.53585379 0.67083584E-01 0.12450000E+05 0.51676274 17.02298716 1.53585034 0.65228839E-01 0.12500000E+05 0.50580161 17.07336563 1.53584322 0.63402281E-01 0.12550000E+05 0.49485807 17.12239915 1.53583646 0.61605530E-01 0.12600000E+05 0.48394637 17.17012990 1.53583151 0.59839899E-01 0.12650000E+05 0.47308017 17.21659976 1.53582686 0.58106480E-01 0.12700000E+05 0.46227243 17.26184994 1.53581989 0.56406179E-01 0.12750000E+05 0.45153544 17.30592075 1.53581095 0.54739661E-01 0.12800000E+05 0.44088071 17.34885143 1.53580531 0.53107243E-01 0.12850000E+05 0.43031905 17.39067996 1.53580920 0.51508925E-01 0.12900000E+05 0.41986047 17.43144301 1.53582330 0.49944582E-01 0.12950000E+05 0.40951425 17.47117597 1.53584025 0.48414253E-01 0.13000000E+05 0.39928892 17.50991290 1.53584823 0.46918283E-01 0.13050000E+05 0.38919231 17.54768666 1.53583786 0.45457230E-01 0.13100000E+05 0.37923153 17.58452896 1.53580958 0.44031588E-01 0.13150000E+05 0.36941303 17.62047045 1.53577677 0.42641466E-01 0.13200000E+05 0.35974262 17.65554082 1.53575885 0.41286441E-01 0.13250000E+05 0.35022547 17.68976882 1.53576799 0.39965713E-01 0.13300000E+05 0.34086614 17.72318233 1.53580023 0.38678469E-01 0.13350000E+05 0.33166862 17.75580836 1.53583737 0.37424202E-01 0.13400000E+05 0.32263631 17.78767303 1.53585696 0.36202786E-01 0.13450000E+05 0.31377211 17.81880160 1.53584524 0.35014291E-01 0.13500000E+05 0.30507836 17.84921842 1.53580704 0.33858690E-01 0.13550000E+05 0.29655697 17.87894694 1.53576394 0.32735645E-01 0.13600000E+05 0.28820935 17.90800974 1.53573988 0.31644468E-01 0.13650000E+05 0.28003651 17.93642848 1.53574637 0.30584278E-01 0.13700000E+05 0.27203906 17.96422395 1.53577754 0.29554216E-01 0.13750000E+05 0.26421723 17.99141605 1.53581494 0.28553596E-01 0.13800000E+05 0.25657090 18.01802387 1.53583770 0.27581930E-01 0.13850000E+05 0.24909966 18.04406565 1.53583466 0.26638855E-01 0.13900000E+05 0.24180279 18.06955892 1.53581065 0.25724025E-01 0.13950000E+05 0.23467929 18.09452049 1.53578050 0.24837006E-01 0.14000000E+05 0.22772793 18.11896655 1.53575802 0.23977233E-01 0.14050000E+05 0.22094726 18.14291270 1.53575053 0.23144032E-01 0.14100000E+05 0.21433561 18.16637399 1.53575845 0.22336691E-01 0.14150000E+05 0.20789113 18.18936495 1.53577597 0.21554521E-01 0.14200000E+05 0.20161180 18.21189958 1.53579459 0.20796899E-01 0.14250000E+05 0.19549545 18.23399131 1.53580851 0.20063273E-01 0.14300000E+05 0.18953976 18.25565303 1.53581484 0.19353137E-01 0.14350000E+05 0.18374231 18.27689703 1.53581032 0.18665980E-01 0.14400000E+05 0.17810055 18.29773499 1.53579357 0.18001247E-01 0.14450000E+05 0.17261183 18.31817797 1.53576977 0.17358319E-01 0.14500000E+05 0.16727342 18.33823641 1.53574895 0.16736535E-01 0.14550000E+05 0.16208254 18.35792015 1.53574058 0.16135225E-01 0.14600000E+05 0.15703634 18.37723850 1.53575068 0.15553757E-01 0.14650000E+05 0.15213191 18.39620026 1.53577807 0.14991559E-01 0.14700000E+05 0.14736634 18.41481376 1.53581019 0.14448127E-01 0.14750000E+05 0.14273667 18.43308693 1.53582854 0.13923003E-01 0.14800000E+05 0.13823993 18.45102733 1.53582197 0.13415745E-01 0.14850000E+05 0.13387316 18.46864211 1.53579299 0.12925911E-01 0.14900000E+05 0.12963339 18.48593810 1.53575459 0.12453036E-01 0.14950000E+05 0.12551765 18.50292180 1.53572569 0.11996627E-01 0.15000000E+05 0.12152299 18.51959941 1.53572332 0.11556162E-01 0.15050000E+05 0.11764649 18.53597688 1.53575018 0.11131119E-01 0.15100000E+05 0.11388524 18.55205997 1.53579113 0.10721009E-01 0.15150000E+05 0.11023638 18.56785427 1.53582465 0.10325383E-01 0.15200000E+05 0.10669705 18.58336522 1.53583458 0.99438046E-02 0.15250000E+05 0.10326446 18.59859811 1.53581472 0.95758277E-02 0.15300000E+05 0.09993584 18.61355810 1.53577326 0.92210104E-02 0.15350000E+05 0.09670846 18.62825015 1.53573247 0.88789378E-02 0.15400000E+05 0.09357963 18.64267904 1.53571476 0.85492232E-02 0.15450000E+05 0.09054672 18.65684936 1.53572769 0.82314804E-02 0.15500000E+05 0.08760711 18.67076546 1.53576373 0.79252988E-02 0.15550000E+05 0.08475826 18.68443152 1.53580622 0.76302451E-02 0.15600000E+05 0.08199765 18.69785154 1.53583317 0.73458871E-02 0.15650000E+05 0.07932284 18.71102934 1.53582818 0.70718205E-02 0.15700000E+05 0.07673141 18.72396864 1.53579445 0.68076850E-02 0.15750000E+05 0.07422101 18.73667303 1.53575181 0.65531670E-02 0.15800000E+05 0.07178934 18.74914603 1.53572106 0.63079781E-02 0.15850000E+05 0.06943414 18.76139110 1.53571598 0.60718218E-02 0.15900000E+05 0.06715322 18.77341163 1.53574063 0.58443716E-02 0.15950000E+05 0.06494443 18.78521096 1.53578277 0.56252834E-02 0.16000000E+05 0.06280567 18.79679241 1.53581778 0.54142355E-02 0.16050000E+05 0.06073489 18.80815925 1.53582772 0.52109542E-02 0.16100000E+05 0.05873011 18.81931473 1.53581124 0.50152039E-02 0.16150000E+05 0.05678937 18.83026206 1.53577686 0.48267569E-02 0.16200000E+05 0.05491079 18.84100447 1.53573924 0.46453763E-02 0.16250000E+05 0.05309249 18.85154511 1.53571823 0.44708206E-02 0.16300000E+05 0.05133270 18.86188716 1.53572587 0.43028471E-02 0.16350000E+05 0.04962964 18.87203372 1.53575548 0.41412070E-02 0.16400000E+05 0.04798161 18.88198788 1.53579108 0.39856461E-02 0.16450000E+05 0.04638695 18.89175266 1.53581854 0.38359254E-02 0.16500000E+05 0.04484403 18.90133107 1.53582482 0.36918428E-02 0.16550000E+05 0.04335127 18.91072604 1.53580287 0.35532300E-02 0.16600000E+05 0.04190714 18.91994050 1.53576333 0.34199191E-02 0.16650000E+05 0.04051014 18.92897733 1.53572864 0.32917139E-02 0.16700000E+05 0.03915882 18.93783936 1.53571487 0.31683947E-02 0.16750000E+05 0.03785177 18.94652942 1.53572778 0.30497505E-02 0.16800000E+05 0.03658761 18.95505029 1.53576497 0.29356015E-02 0.16850000E+05 0.03536501 18.96340473 1.53580928 0.28257892E-02 0.16900000E+05 0.03418266 18.97159551 1.53583353 0.27201493E-02 0.16950000E+05 0.03303931 18.97962532 1.53582312 0.26185031E-02 0.17000000E+05 0.03193372 18.98749684 1.53578581 0.25206803E-02 0.17050000E+05 0.03086472 18.99521270 1.53573994 0.24265458E-02 0.17100000E+05 0.02983113 19.00277547 1.53570737 0.23359966E-02 0.17150000E+05 0.02883184 19.01018772 1.53570931 0.22489278E-02 0.17200000E+05 0.02786575 19.01745196 1.53574826 0.21652016E-02 0.17250000E+05 0.02693180 19.02457070 1.53579975 0.20846501E-02 0.17300000E+05 0.02602897 19.03154640 1.53583362 0.20071094E-02 0.17350000E+05 0.02515625 19.03838151 1.53583461 0.19324513E-02 0.17400000E+05 0.02431267 19.04507838 1.53580192 0.18605864E-02 0.17450000E+05 0.02349731 19.05163934 1.53574971 0.17914422E-02 0.17500000E+05 0.02270923 19.05806665 1.53570882 0.17249378E-02 0.17550000E+05 0.02194755 19.06436253 1.53570556 0.16609766E-02 0.17600000E+05 0.02121143 19.07052919 1.53573822 0.15994541E-02 0.17650000E+05 0.02050002 19.07656879 1.53578557 0.15402686E-02 0.17700000E+05 0.01981251 19.08248343 1.53582550 0.14833252E-02 0.17750000E+05 0.01914812 19.08827519 1.53583797 0.14285362E-02 0.17800000E+05 0.01850610 19.09394608 1.53581232 0.13758201E-02 0.17850000E+05 0.01788571 19.09949807 1.53576344 0.13251022E-02 0.17900000E+05 0.01728623 19.10493307 1.53572246 0.12763132E-02 0.17950000E+05 0.01670697 19.11025299 1.53570903 0.12293870E-02 0.18000000E+05 0.01614726 19.11545966 1.53572608 0.11842588E-02 0.18050000E+05 0.01560646 19.12055490 1.53576787 0.11408643E-02 0.18100000E+05 0.01508394 19.12554048 1.53581488 0.10991376E-02 0.18150000E+05 0.01457908 19.13041817 1.53583752 0.10590101E-02 0.18200000E+05 0.01409131 19.13518967 1.53582246 0.10204099E-02 0.18250000E+05 0.01362004 19.13985666 1.53578260 0.98326629E-03 0.18300000E+05 0.01316473 19.14442078 1.53573845 0.94751524E-03 0.18350000E+05 0.01272485 19.14888364 1.53570933 0.91310477E-03 0.18400000E+05 0.01229986 19.15324680 1.53571408 0.87999458E-03 0.18450000E+05 0.01188929 19.15751179 1.53575452 0.84815009E-03 0.18500000E+05 0.01149263 19.16168011 1.53580514 0.81753329E-03 0.18550000E+05 0.01110942 19.16575325 1.53583589 0.78809595E-03 0.18600000E+05 0.01073921 19.16973267 1.53583428 0.75977949E-03 0.18650000E+05 0.01038156 19.17361981 1.53580105 0.73252181E-03 0.18700000E+05 0.01003605 19.17741608 1.53574909 0.70626718E-03 0.18750000E+05 0.00970226 19.18112289 1.53570890 0.68097347E-03 0.18800000E+05 0.00937980 19.18474162 1.53570804 0.65661266E-03 0.18850000E+05 0.00906828 19.18827363 1.53574479 0.63316463E-03 0.18900000E+05 0.00876733 19.19172028 1.53579587 0.61060826E-03 0.18950000E+05 0.00847660 19.19508291 1.53583698 0.58891458E-03 0.19000000E+05 0.00819573 19.19836285 1.53584623 0.56804555E-03 0.19050000E+05 0.00792439 19.20156140 1.53581261 0.54795740E-03 0.19100000E+05 0.00766227 19.20467985 1.53575530 0.52860597E-03 0.19150000E+05 0.00740903 19.20771948 1.53571230 0.50995151E-03 0.19200000E+05 0.00716438 19.21068149 1.53570642 0.49196207E-03 0.19250000E+05 0.00692803 19.21356708 1.53573729 0.47461572E-03 0.19300000E+05 0.00669970 19.21637734 1.53579130 0.45790020E-03 0.19350000E+05 0.00647910 19.21911334 1.53584064 0.44180893E-03 0.19400000E+05 0.00626598 19.22177607 1.53585208 0.42633342E-03 0.19450000E+05 0.00606007 19.22436652 1.53581797 0.41145598E-03 0.19500000E+05 0.00586114 19.22688562 1.53576372 0.39714640E-03 0.19550000E+05 0.00566894 19.22933431 1.53571970 0.38336591E-03 0.19600000E+05 0.00548324 19.23171352 1.53570610 0.37007563E-03 0.19650000E+05 0.00530382 19.23402417 1.53573353 0.35724588E-03 0.19700000E+05 0.00513047 19.23626717 1.53579059 0.34486066E-03 0.19750000E+05 0.00496297 19.23844341 1.53584070 0.33291561E-03 0.19800000E+05 0.00480113 19.24055375 1.53585275 0.32141046E-03 0.19850000E+05 0.00464476 19.24259905 1.53582568 0.31034095E-03 0.19900000E+05 0.00449365 19.24458013 1.53577605 0.29969409E-03 0.19950000E+05 0.00434764 19.24649780 1.53572662 0.28944928E-03 0.20000000E+05 0.00420656 19.24835284 1.53570693 0.27958305E-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 -0.001589 2.91323 2 0.1554312 -0.019437 2.37021 3 0.1597487 -0.024231 1.85014 4 0.1640662 -0.015562 1.34375 5 0.1683837 0.000040 0.84241 6 0.1727013 0.012978 0.34228 7 0.1770188 0.016093 -0.15294 8 0.1813363 0.008657 -0.63411 9 0.1856539 -0.003468 -1.09395 10 0.1899714 -0.011719 -1.53291 11 0.1942889 -0.010587 -1.95861 12 0.1986065 -0.001501 -2.38038 13 0.2029240 0.008090 -2.80250 14 0.2072415 0.010386 3.06262 15 0.2115591 0.003694 2.65780 16 0.2158766 -0.005767 2.27102 17 0.2201941 -0.009126 1.89807 18 0.2245117 -0.003223 1.52978 19 0.2288292 0.005875 1.16049 20 0.2331467 0.008598 0.79359 21 0.2374643 0.001962 0.43796 22 0.2417818 -0.006704 0.09772 23 0.2460993 -0.007533 -0.23239 24 0.2504169 0.000439 -0.56117 25 0.2547344 0.007647 -0.89136 26 0.2590519 0.005267 -1.21641 27 0.2633695 -0.003646 -1.52869 28 0.2676870 -0.007599 -1.82928 29 0.2720045 -0.001413 -2.12654 30 0.2763221 0.006646 -2.42584 31 0.2806396 0.005660 -2.72273 32 0.2849571 -0.002957 -3.00890 33 0.2892746 -0.007131 2.99933 34 0.2935922 -0.001052 2.72763 35 0.2979097 0.006341 2.45351 36 0.3022272 0.004187 2.18146 37 0.3065448 -0.004245 1.91964 38 0.3108623 -0.006281 1.66762 39 0.3151798 0.001045 1.41696 40 0.3194974 0.006361 1.16349 41 0.3238149 0.001482 0.91360 42 0.3281324 -0.005772 0.67438 43 0.3324500 -0.003875 0.44228 44 0.3367675 0.004016 0.20859 45 0.3410850 0.005130 -0.02698 46 0.3454026 -0.002170 -0.25566 47 0.3497201 -0.005719 -0.47412 48 0.3540376 0.000296 -0.69014 49 0.3583552 0.005617 -0.90992 50 0.3626727 0.001203 -1.12760 51 0.3669902 -0.005362 -1.33507 52 0.3713078 -0.002794 -1.53617 53 0.3756253 0.004372 -1.74033 54 0.3799428 0.003560 -1.94624 55 0.3842604 -0.003777 -2.14376 56 0.3885779 -0.004582 -2.33213 57 0.3928954 0.002546 -2.52166 58 0.3972129 0.004639 -2.71537 59 0.4015305 -0.002177 -2.90298 60 0.4058480 -0.005323 -3.07979 61 0.4101655 0.001169 3.02738 62 0.4144831 0.005236 2.84563 63 0.4188006 -0.000851 2.66794 64 0.4231181 -0.005590 2.50224 65 0.4274357 0.000126 2.33897 66 0.4317532 0.005260 2.16878 67 0.4360707 -0.000272 2.00114 68 0.4403883 -0.005662 1.84655 69 0.4447058 -0.000168 1.69534 70 0.4490233 0.005361 1.53579 71 0.4533409 -0.000171 1.37808 72 0.4576584 -0.005643 1.23508 73 0.4619759 0.000034 1.09584 74 0.4662935 0.005264 0.94643 75 0.4706110 -0.000602 0.79905 76 0.4749285 -0.005294 0.66859 77 0.4792461 0.000963 0.54103 78 0.4835636 0.005110 0.40060 79 0.4878811 -0.001379 0.26383 80 0.4921987 -0.004760 0.14701 81 0.4965162 0.001816 0.03072 82 0.5008337 0.004158 -0.10154 83 0.5051512 -0.002498 -0.22606 84 0.5094688 -0.003806 -0.32734 85 0.5137863 0.002727 -0.43342 86 0.5181038 0.003080 -0.55876 87 0.5224214 -0.002940 -0.66871 88 0.5267389 -0.002187 -0.75265 89 0.5310564 0.003394 -0.85042 90 0.5353740 0.002046 -0.96899 91 0.5396915 -0.002502 -1.05982 92 0.5440090 -0.000187 -1.12500 93 0.5483266 0.004053 -1.21806 ******************************************************************************** PRINTING SCATTERING AND REACTION PROBABILITIES ******************************************************************************** etrans(icomin)= 0.151114 etrans(icomax)= 0.548327 etrans= 0.150000 $$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$ total energy = -0.41843953D+01 trans energy = 0.20714286D+00 trans energy in z = 0.20714286D+00 total momentum = 0.74792309D+01 $$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$ ************************************ rotation-diffraction summed probabilities ************************************ v probability av edif av erot 0 0.9896234E+00 0.4200589E-02 0.4920395E+00 1 0.4331166E-04 0.6850205E-02 0.8901566E-01 2 0.0000000E+00 0.0000000E+00 0.0000000E+00 ************************************ diffraction summed probabilities ************************************ v irot j m probability 0 43 0 0 0.1131953E-03 0 31 2 -2 0.1264113E-05 0 37 2 -1 0.2012357E-04 0 44 2 0 0.3924935E-03 0 50 2 1 0.1357261E-03 0 56 2 2 0.4901278E-05 0 21 4 -4 0.4514241E-06 0 26 4 -3 0.3969399E-05 0 32 4 -2 0.2254581E-04 0 38 4 -1 0.1007435E-03 0 45 4 0 0.6225711E-03 0 51 4 1 0.9861928E-03 0 57 4 2 0.9555127E-04 0 62 4 3 0.8360920E-05 0 67 4 4 0.4899832E-06 0 13 6 -6 0.1116741E-07 0 17 6 -5 0.1093013E-06 0 22 6 -4 0.9301120E-06 0 27 6 -3 0.7414689E-05 0 33 6 -2 0.2726786E-04 0 39 6 -1 0.1299259E-03 0 46 6 0 0.1057922E-02 0 52 6 1 0.7899072E-02 0 58 6 2 0.5940621E-03 0 63 6 3 0.2192943E-03 0 68 6 4 0.3968678E-04 0 72 6 5 0.5957536E-05 0 76 6 6 0.7062685E-06 0 7 8 -8 0.1185880E-09 0 10 8 -7 0.1073136E-08 0 14 8 -6 0.6171162E-08 0 18 8 -5 0.2222350E-06 0 23 8 -4 0.2247293E-06 0 28 8 -3 0.1942927E-04 0 34 8 -2 0.1361821E-04 0 40 8 -1 0.5981350E-02 0 47 8 0 0.1288964E-02 0 53 8 1 0.9531708E+00 0 59 8 2 0.1091928E-01 0 64 8 3 0.5591000E-02 0 69 8 4 0.1307966E-03 0 73 8 5 0.1620538E-04 0 77 8 6 0.5157570E-06 0 80 8 7 0.8618344E-07 0 83 8 8 0.5893276E-08 0 3 10 -10 0.0000000E+00 0 5 10 -9 0.0000000E+00 0 8 10 -8 0.0000000E+00 0 11 10 -7 0.0000000E+00 0 15 10 -6 0.0000000E+00 0 19 10 -5 0.0000000E+00 0 24 10 -4 0.0000000E+00 0 29 10 -3 0.0000000E+00 0 35 10 -2 0.0000000E+00 0 41 10 -1 0.0000000E+00 0 48 10 0 0.0000000E+00 0 54 10 1 0.0000000E+00 0 60 10 2 0.0000000E+00 0 65 10 3 0.0000000E+00 0 70 10 4 0.0000000E+00 0 74 10 5 0.0000000E+00 0 78 10 6 0.0000000E+00 0 81 10 7 0.0000000E+00 0 84 10 8 0.0000000E+00 0 86 10 9 0.0000000E+00 0 88 10 10 0.0000000E+00 0 1 12 -12 0.0000000E+00 0 2 12 -11 0.0000000E+00 0 4 12 -10 0.0000000E+00 0 6 12 -9 0.0000000E+00 0 9 12 -8 0.0000000E+00 0 12 12 -7 0.0000000E+00 0 16 12 -6 0.0000000E+00 0 20 12 -5 0.0000000E+00 0 25 12 -4 0.0000000E+00 0 30 12 -3 0.0000000E+00 0 36 12 -2 0.0000000E+00 0 42 12 -1 0.0000000E+00 0 49 12 0 0.0000000E+00 0 55 12 1 0.0000000E+00 0 61 12 2 0.0000000E+00 0 66 12 3 0.0000000E+00 0 71 12 4 0.0000000E+00 0 75 12 5 0.0000000E+00 0 79 12 6 0.0000000E+00 0 82 12 7 0.0000000E+00 0 85 12 8 0.0000000E+00 0 87 12 9 0.0000000E+00 0 89 12 10 0.0000000E+00 0 90 12 11 0.0000000E+00 0 91 12 12 0.0000000E+00 1 43 0 0 0.1322713E-05 1 31 2 -2 0.2954356E-07 1 37 2 -1 0.4880606E-06 1 44 2 0 0.2902932E-05 1 50 2 1 0.1697973E-04 1 56 2 2 0.1103032E-05 1 21 4 -4 0.1040666E-09 1 26 4 -3 0.2814787E-09 1 32 4 -2 0.4993501E-08 1 38 4 -1 0.9895340E-07 1 45 4 0 0.1962277E-05 1 51 4 1 0.1776447E-04 1 57 4 2 0.6234433E-06 1 62 4 3 0.2786162E-07 1 67 4 4 0.3259413E-08 1 13 6 -6 0.0000000E+00 1 17 6 -5 0.0000000E+00 1 22 6 -4 0.0000000E+00 1 27 6 -3 0.0000000E+00 1 33 6 -2 0.0000000E+00 1 39 6 -1 0.0000000E+00 1 46 6 0 0.0000000E+00 1 52 6 1 0.0000000E+00 1 58 6 2 0.0000000E+00 1 63 6 3 0.0000000E+00 1 68 6 4 0.0000000E+00 1 72 6 5 0.0000000E+00 1 76 6 6 0.0000000E+00 1 7 8 -8 0.0000000E+00 1 10 8 -7 0.0000000E+00 1 14 8 -6 0.0000000E+00 1 18 8 -5 0.0000000E+00 1 23 8 -4 0.0000000E+00 1 28 8 -3 0.0000000E+00 1 34 8 -2 0.0000000E+00 1 40 8 -1 0.0000000E+00 1 47 8 0 0.0000000E+00 1 53 8 1 0.0000000E+00 1 59 8 2 0.0000000E+00 1 64 8 3 0.0000000E+00 1 69 8 4 0.0000000E+00 1 73 8 5 0.0000000E+00 1 77 8 6 0.0000000E+00 1 80 8 7 0.0000000E+00 1 83 8 8 0.0000000E+00 1 3 10 -10 0.0000000E+00 1 5 10 -9 0.0000000E+00 1 8 10 -8 0.0000000E+00 1 11 10 -7 0.0000000E+00 1 15 10 -6 0.0000000E+00 1 19 10 -5 0.0000000E+00 1 24 10 -4 0.0000000E+00 1 29 10 -3 0.0000000E+00 1 35 10 -2 0.0000000E+00 1 41 10 -1 0.0000000E+00 1 48 10 0 0.0000000E+00 1 54 10 1 0.0000000E+00 1 60 10 2 0.0000000E+00 1 65 10 3 0.0000000E+00 1 70 10 4 0.0000000E+00 1 74 10 5 0.0000000E+00 1 78 10 6 0.0000000E+00 1 81 10 7 0.0000000E+00 1 84 10 8 0.0000000E+00 1 86 10 9 0.0000000E+00 1 88 10 10 0.0000000E+00 1 1 12 -12 0.0000000E+00 1 2 12 -11 0.0000000E+00 1 4 12 -10 0.0000000E+00 1 6 12 -9 0.0000000E+00 1 9 12 -8 0.0000000E+00 1 12 12 -7 0.0000000E+00 1 16 12 -6 0.0000000E+00 1 20 12 -5 0.0000000E+00 1 25 12 -4 0.0000000E+00 1 30 12 -3 0.0000000E+00 1 36 12 -2 0.0000000E+00 1 42 12 -1 0.0000000E+00 1 49 12 0 0.0000000E+00 1 55 12 1 0.0000000E+00 1 61 12 2 0.0000000E+00 1 66 12 3 0.0000000E+00 1 71 12 4 0.0000000E+00 1 75 12 5 0.0000000E+00 1 79 12 6 0.0000000E+00 1 82 12 7 0.0000000E+00 1 85 12 8 0.0000000E+00 1 87 12 9 0.0000000E+00 1 89 12 10 0.0000000E+00 1 90 12 11 0.0000000E+00 1 91 12 12 0.0000000E+00 2 43 0 0 0.0000000E+00 2 31 2 -2 0.0000000E+00 2 37 2 -1 0.0000000E+00 2 44 2 0 0.0000000E+00 2 50 2 1 0.0000000E+00 2 56 2 2 0.0000000E+00 2 21 4 -4 0.0000000E+00 2 26 4 -3 0.0000000E+00 2 32 4 -2 0.0000000E+00 2 38 4 -1 0.0000000E+00 2 45 4 0 0.0000000E+00 2 51 4 1 0.0000000E+00 2 57 4 2 0.0000000E+00 2 62 4 3 0.0000000E+00 2 67 4 4 0.0000000E+00 2 13 6 -6 0.0000000E+00 2 17 6 -5 0.0000000E+00 2 22 6 -4 0.0000000E+00 2 27 6 -3 0.0000000E+00 2 33 6 -2 0.0000000E+00 2 39 6 -1 0.0000000E+00 2 46 6 0 0.0000000E+00 2 52 6 1 0.0000000E+00 2 58 6 2 0.0000000E+00 2 63 6 3 0.0000000E+00 2 68 6 4 0.0000000E+00 2 72 6 5 0.0000000E+00 2 76 6 6 0.0000000E+00 2 7 8 -8 0.0000000E+00 2 10 8 -7 0.0000000E+00 2 14 8 -6 0.0000000E+00 2 18 8 -5 0.0000000E+00 2 23 8 -4 0.0000000E+00 2 28 8 -3 0.0000000E+00 2 34 8 -2 0.0000000E+00 2 40 8 -1 0.0000000E+00 2 47 8 0 0.0000000E+00 2 53 8 1 0.0000000E+00 2 59 8 2 0.0000000E+00 2 64 8 3 0.0000000E+00 2 69 8 4 0.0000000E+00 2 73 8 5 0.0000000E+00 2 77 8 6 0.0000000E+00 2 80 8 7 0.0000000E+00 2 83 8 8 0.0000000E+00 2 3 10 -10 0.0000000E+00 2 5 10 -9 0.0000000E+00 2 8 10 -8 0.0000000E+00 2 11 10 -7 0.0000000E+00 2 15 10 -6 0.0000000E+00 2 19 10 -5 0.0000000E+00 2 24 10 -4 0.0000000E+00 2 29 10 -3 0.0000000E+00 2 35 10 -2 0.0000000E+00 2 41 10 -1 0.0000000E+00 2 48 10 0 0.0000000E+00 2 54 10 1 0.0000000E+00 2 60 10 2 0.0000000E+00 2 65 10 3 0.0000000E+00 2 70 10 4 0.0000000E+00 2 74 10 5 0.0000000E+00 2 78 10 6 0.0000000E+00 2 81 10 7 0.0000000E+00 2 84 10 8 0.0000000E+00 2 86 10 9 0.0000000E+00 2 88 10 10 0.0000000E+00 2 1 12 -12 0.0000000E+00 2 2 12 -11 0.0000000E+00 2 4 12 -10 0.0000000E+00 2 6 12 -9 0.0000000E+00 2 9 12 -8 0.0000000E+00 2 12 12 -7 0.0000000E+00 2 16 12 -6 0.0000000E+00 2 20 12 -5 0.0000000E+00 2 25 12 -4 0.0000000E+00 2 30 12 -3 0.0000000E+00 2 36 12 -2 0.0000000E+00 2 42 12 -1 0.0000000E+00 2 49 12 0 0.0000000E+00 2 55 12 1 0.0000000E+00 2 61 12 2 0.0000000E+00 2 66 12 3 0.0000000E+00 2 71 12 4 0.0000000E+00 2 75 12 5 0.0000000E+00 2 79 12 6 0.0000000E+00 2 82 12 7 0.0000000E+00 2 85 12 8 0.0000000E+00 2 87 12 9 0.0000000E+00 2 89 12 10 0.0000000E+00 2 90 12 11 0.0000000E+00 2 91 12 12 0.0000000E+00 ************************************ probabilities as function of diffraction order ************************************ v, j, mj = 0 0 0 0 0.1543196E-16 1 0.2274151E-04 2 0.5863288E-04 3 0.2915618E-04 4 0.2534408E-05 5 0.8238585E-07 6 0.2021980E-07 7 0.2192460E-07 8 0.4516050E-08 9 0.1325632E-08 v, j, mj = 0 2 -2 0 0.6371517E-09 1 0.7298233E-07 2 0.5862438E-06 3 0.4693810E-06 4 0.9970813E-07 5 0.2224057E-07 6 0.9942979E-08 7 0.1959668E-08 8 0.6692746E-09 9 0.3485042E-09 v, j, mj = 0 2 -1 0 0.1108149E-14 1 0.1325530E-05 2 0.7746481E-05 3 0.8986711E-05 4 0.1875469E-05 5 0.1316703E-06 6 0.4675301E-07 7 0.8713657E-08 8 0.1764621E-08 9 0.4742554E-09 v, j, mj = 0 2 0 0 0.3815412E-16 1 0.1089396E-03 2 0.2001712E-03 3 0.7630918E-04 4 0.6508970E-05 5 0.4275979E-06 6 0.8034862E-07 7 0.4120823E-07 8 0.1339860E-07 9 0.2021876E-08 v, j, mj = 0 2 1 0 0.1527553E-04 1 0.6593882E-04 2 0.4387722E-04 3 0.8526590E-05 4 0.1783432E-05 5 0.2436156E-06 6 0.6358509E-07 7 0.1379864E-07 8 0.3115369E-08 9 0.4102732E-09 v, j, mj = 0 2 2 0 0.4007369E-17 1 0.6231893E-06 2 0.2255158E-05 3 0.1783816E-05 4 0.1695973E-06 5 0.4712767E-07 6 0.1894615E-07 7 0.2644323E-08 8 0.5811366E-09 9 0.2173298E-09 v, j, mj = 0 4 -4 0 0.2497426E-16 1 0.8339697E-09 2 0.3420800E-07 3 0.1868732E-06 4 0.1902420E-06 5 0.3332278E-07 6 0.3448845E-08 7 0.1649513E-08 8 0.7085138E-09 9 0.1372278E-09 v, j, mj = 0 4 -3 0 0.7747312E-15 1 0.2267498E-07 2 0.9490087E-06 3 0.2000496E-05 4 0.8666920E-06 5 0.1196905E-06 6 0.4059009E-08 7 0.3604749E-08 8 0.1135013E-08 9 0.2037604E-08 v, j, mj = 0 4 -2 0 0.8078740E-08 1 0.8939834E-06 2 0.9282174E-05 3 0.9430628E-05 4 0.2754416E-05 5 0.1437137E-06 6 0.1835484E-07 7 0.6365001E-08 8 0.7048194E-08 9 0.1049814E-08 v, j, mj = 0 4 -1 0 0.7849837E-14 1 0.9756598E-05 2 0.4713808E-04 3 0.3724926E-04 4 0.6281784E-05 5 0.2925263E-06 6 0.1987809E-07 7 0.3189281E-08 8 0.9326520E-09 9 0.1250867E-08 v, j, mj = 0 4 0 0 0.2519595E-15 1 0.3139867E-03 2 0.2443520E-03 3 0.5538806E-04 4 0.8279911E-05 5 0.3809882E-06 6 0.1572459E-06 7 0.1933232E-07 8 0.6260923E-08 9 0.7235134E-09 v, j, mj = 0 4 1 0 0.1853807E-03 1 0.4825392E-03 2 0.2482632E-03 3 0.5925348E-04 4 0.1015711E-04 5 0.5454840E-06 6 0.4727661E-07 7 0.5492842E-08 8 0.4831137E-09 9 0.3610065E-09 v, j, mj = 0 4 2 0 0.2513843E-16 1 0.1674343E-04 2 0.4234156E-04 3 0.2969337E-04 4 0.6350404E-05 5 0.3519080E-06 6 0.5728469E-07 7 0.7923826E-08 8 0.5036448E-08 9 0.3521253E-09 v, j, mj = 0 4 3 0 0.4721865E-15 1 0.1722406E-05 2 0.1612425E-05 3 0.3257297E-05 4 0.1565271E-05 5 0.1835629E-06 6 0.1604549E-07 7 0.1727694E-08 8 0.1552549E-08 9 0.6328217E-09 v, j, mj = 0 4 4 0 0.1353455E-09 1 0.1254068E-07 2 0.7681833E-07 3 0.1825241E-06 4 0.1520970E-06 5 0.4605596E-07 6 0.1673115E-07 7 0.2139699E-08 8 0.7621791E-09 9 0.1787963E-09 v, j, mj = 0 6 -6 0 0.5439669E-17 1 0.7931712E-10 2 0.1289495E-09 3 0.1763922E-08 4 0.2407116E-08 5 0.2107263E-08 6 0.2040357E-08 7 0.1934517E-08 8 0.7059673E-09 9 0.0000000E+00 v, j, mj = 0 6 -5 0 0.1855193E-09 1 0.1268852E-08 2 0.6232489E-08 3 0.4232255E-07 4 0.2922889E-07 5 0.6034490E-08 6 0.1454576E-07 7 0.8898470E-08 8 0.5842603E-09 9 0.0000000E+00 v, j, mj = 0 6 -4 0 0.5145848E-16 1 0.7992973E-08 2 0.1647939E-06 3 0.4764110E-06 4 0.1997610E-06 5 0.3056682E-07 6 0.4515492E-07 7 0.5177247E-08 8 0.2542056E-09 9 0.0000000E+00 v, j, mj = 0 6 -3 0 0.3670923E-15 1 0.1312567E-06 2 0.3316726E-05 3 0.3151673E-05 4 0.5743046E-06 5 0.1572132E-06 6 0.6653269E-07 7 0.1671821E-07 8 0.2636115E-09 9 0.0000000E+00 v, j, mj = 0 6 -2 0 0.3163516E-07 1 0.6125988E-05 2 0.1415056E-04 3 0.6026056E-05 4 0.7587915E-06 5 0.9994920E-07 6 0.6876495E-07 7 0.5788448E-08 8 0.3288689E-09 9 0.0000000E+00 v, j, mj = 0 6 -1 0 0.7823777E-14 1 0.5584978E-04 2 0.6717576E-04 3 0.5414515E-05 4 0.1374637E-05 5 0.1010520E-06 6 0.6189360E-08 7 0.3697719E-08 8 0.2293498E-09 9 0.0000000E+00 v, j, mj = 0 6 0 0 0.7840604E-15 1 0.8715760E-03 2 0.1827665E-03 3 0.1353001E-05 4 0.2014267E-05 5 0.1890944E-06 6 0.1621065E-07 7 0.6704529E-08 8 0.1869684E-09 9 0.0000000E+00 v, j, mj = 0 6 1 0 0.3366392E-02 1 0.4038135E-02 2 0.4848855E-03 3 0.7559141E-05 4 0.1962556E-05 5 0.1038426E-06 6 0.1827188E-07 7 0.1491278E-07 8 0.5568264E-09 9 0.0000000E+00 v, j, mj = 0 6 2 0 0.1827157E-15 1 0.2081042E-03 2 0.3424337E-03 3 0.4150497E-04 4 0.1921421E-05 5 0.5422341E-07 6 0.3038417E-07 7 0.1302515E-07 8 0.1012670E-09 9 0.0000000E+00 v, j, mj = 0 6 3 0 0.1395371E-13 1 0.6224276E-04 2 0.1165208E-03 3 0.3801841E-04 4 0.2452312E-05 5 0.5195877E-07 6 0.5003269E-08 7 0.3025741E-08 8 0.3405069E-10 9 0.0000000E+00 v, j, mj = 0 6 4 0 0.1274475E-07 1 0.1186666E-05 2 0.1975544E-04 3 0.1599967E-04 4 0.2578950E-05 5 0.1240065E-06 6 0.1926076E-07 7 0.9980967E-08 8 0.6572743E-10 9 0.0000000E+00 v, j, mj = 0 6 5 0 0.1106540E-14 1 0.2454417E-07 2 0.1332262E-05 3 0.3414214E-05 4 0.1094276E-05 5 0.4482702E-07 6 0.4002006E-07 7 0.7196306E-08 8 0.1966990E-09 9 0.0000000E+00 v, j, mj = 0 6 6 0 0.4186498E-16 1 0.1268949E-08 2 0.6065630E-07 3 0.3842528E-06 4 0.2204271E-06 5 0.2827626E-07 6 0.7623509E-08 7 0.3490401E-08 8 0.2730984E-09 9 0.0000000E+00 v, j, mj = 0 8 -8 0 0.3064233E-12 1 0.1008313E-11 2 0.3556462E-11 3 0.3077705E-11 4 0.1310752E-10 5 0.9753161E-10 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -7 0 0.9774977E-19 1 0.9740324E-10 2 0.9395872E-10 3 0.1898058E-10 4 0.3883376E-09 5 0.4744562E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -6 0 0.1262946E-18 1 0.1718884E-08 2 0.9378667E-10 3 0.3701397E-09 4 0.4677850E-09 5 0.3520566E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -5 0 0.2022505E-07 1 0.3680790E-07 2 0.7764489E-07 3 0.8204346E-08 4 0.5506479E-07 5 0.2428806E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -4 0 0.8879072E-18 1 0.6435906E-07 2 0.8286313E-07 3 0.5123441E-07 4 0.1177359E-07 5 0.1449916E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -3 0 0.5505937E-17 1 0.5048881E-05 2 0.1144584E-04 3 0.1137550E-05 4 0.1653444E-05 5 0.1435540E-06 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -2 0 0.2439914E-07 1 0.8550499E-05 2 0.4334513E-05 3 0.6838192E-06 4 0.2205559E-07 5 0.2924600E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -1 0 0.1552323E-15 1 0.4654467E-02 2 0.1277592E-02 3 0.4548448E-04 4 0.3621745E-05 5 0.1851550E-06 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 0 0 0.3361810E-17 1 0.1043409E-02 2 0.2359230E-03 3 0.9417449E-05 4 0.2115219E-06 5 0.2351518E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 1 0 0.5822074E+00 1 0.3368533E+00 2 0.3301600E-01 3 0.1075267E-02 4 0.1780939E-04 5 0.1023485E-05 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 2 0 0.6410490E-17 1 0.8641986E-02 2 0.2182841E-02 3 0.9276061E-04 4 0.1682754E-05 5 0.1366039E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 3 0 0.2756798E-15 1 0.3867458E-02 2 0.1627740E-02 3 0.9070243E-04 4 0.5057504E-05 5 0.4229100E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 4 0 0.2551791E-06 1 0.3023155E-04 2 0.8621028E-04 3 0.1335429E-04 4 0.6697431E-06 5 0.7553521E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 5 0 0.2272293E-16 1 0.4336349E-05 2 0.8041564E-05 3 0.2038342E-05 4 0.1535346E-05 5 0.2537739E-06 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 6 0 0.6146104E-18 1 0.1287240E-06 2 0.1673608E-06 3 0.1046333E-06 4 0.3632091E-07 5 0.7871799E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 7 0 0.2845813E-08 1 0.1147028E-07 2 0.2361060E-07 3 0.4983252E-08 4 0.2697122E-07 5 0.1630227E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 8 0 0.3701718E-19 1 0.2165332E-09 2 0.2237440E-09 3 0.3122593E-09 4 0.5105496E-09 5 0.4630189E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 0 0 0 0.2778655E-17 1 0.8683644E-06 2 0.4200643E-06 3 0.1310003E-07 4 0.9501279E-08 5 0.1168341E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 2 -2 0 0.2504101E-10 1 0.9568493E-08 2 0.1040489E-07 3 0.5909595E-08 4 0.3635535E-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 2 -1 0 0.4584747E-17 1 0.2945934E-06 2 0.1607705E-06 3 0.2379699E-07 4 0.8899703E-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 2 0 0 0.1240405E-17 1 0.2476452E-05 2 0.3460948E-06 3 0.6940498E-07 4 0.1098061E-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 2 1 0 0.7986087E-05 1 0.7550236E-05 2 0.1277885E-05 3 0.1506667E-06 4 0.1485985E-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 2 2 0 0.8099015E-19 1 0.6237110E-06 2 0.4425311E-06 3 0.2917849E-07 4 0.7611493E-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 4 -4 0 0.3082105E-19 1 0.3718007E-11 2 0.1003486E-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 4 -3 0 0.3350917E-18 1 0.5177388E-10 2 0.2297048E-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 4 -2 0 0.1574297E-10 1 0.8701724E-09 2 0.4107586E-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 4 -1 0 0.4419682E-18 1 0.7554773E-07 2 0.2340567E-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 4 0 0 0.3004368E-19 1 0.1897733E-05 2 0.6454435E-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 4 1 0 0.9623782E-05 1 0.7730127E-05 2 0.4105606E-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 = 1 4 2 0 0.2612271E-18 1 0.5735946E-06 2 0.4984871E-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 4 3 0 0.1607222E-18 1 0.2394686E-07 2 0.3914765E-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 4 4 0 0.1126629E-10 1 0.1991180E-09 2 0.3049029E-08 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 sum of the probabilities = 0.9896667 average vibrational energy (ev) = 0.000022 average rotational energy (ev) = 0.492022 average diffraction energy (ev) = 0.004201 the reaction probability = 0.1033328D-01 $$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$ total energy = -0.41272524D+01 trans energy = 0.26428571D+00 trans energy in z = 0.26428571D+00 total momentum = 0.84480953D+01 $$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$ ************************************ rotation-diffraction summed probabilities ************************************ v probability av edif av erot 0 0.1004203E+01 0.4460091E-02 0.4861881E+00 1 0.2815878E-03 0.9317335E-02 0.1051896E+00 2 0.0000000E+00 0.0000000E+00 0.0000000E+00 ************************************ diffraction summed probabilities ************************************ v irot j m probability 0 43 0 0 0.4339257E-03 0 31 2 -2 0.9818671E-05 0 37 2 -1 0.1163709E-03 0 44 2 0 0.1550615E-02 0 50 2 1 0.4601015E-03 0 56 2 2 0.1982605E-04 0 21 4 -4 0.2077324E-05 0 26 4 -3 0.2310123E-04 0 32 4 -2 0.1228995E-03 0 38 4 -1 0.5402351E-03 0 45 4 0 0.2534487E-02 0 51 4 1 0.2970080E-02 0 57 4 2 0.4014325E-03 0 62 4 3 0.3789021E-04 0 67 4 4 0.2688857E-05 0 13 6 -6 0.8554353E-07 0 17 6 -5 0.1017765E-05 0 22 6 -4 0.9327527E-05 0 27 6 -3 0.6167899E-04 0 33 6 -2 0.1511279E-03 0 39 6 -1 0.6776892E-03 0 46 6 0 0.3441716E-02 0 52 6 1 0.1866225E-01 0 58 6 2 0.2400301E-02 0 63 6 3 0.9953420E-03 0 68 6 4 0.2579487E-03 0 72 6 5 0.5392219E-04 0 76 6 6 0.1045961E-04 0 7 8 -8 0.3100151E-09 0 10 8 -7 0.2614204E-08 0 14 8 -6 0.1646959E-07 0 18 8 -5 0.3086934E-06 0 23 8 -4 0.1142479E-05 0 28 8 -3 0.5543188E-04 0 34 8 -2 0.4486785E-04 0 40 8 -1 0.1269901E-01 0 47 8 0 0.2969325E-02 0 53 8 1 0.9150675E+00 0 59 8 2 0.2469213E-01 0 64 8 3 0.1192616E-01 0 69 8 4 0.7332798E-03 0 73 8 5 0.6178251E-04 0 77 8 6 0.2427160E-05 0 80 8 7 0.1915155E-06 0 83 8 8 0.1220159E-07 0 3 10 -10 0.2380855E-13 0 5 10 -9 0.2767188E-13 0 8 10 -8 0.6357307E-13 0 11 10 -7 0.6373835E-11 0 15 10 -6 0.2333450E-10 0 19 10 -5 0.1348226E-07 0 24 10 -4 0.2337246E-09 0 29 10 -3 0.1898967E-08 0 35 10 -2 0.1941879E-07 0 41 10 -1 0.2225623E-07 0 48 10 0 0.3385303E-06 0 54 10 1 0.2112588E-06 0 60 10 2 0.4737180E-06 0 65 10 3 0.2840914E-07 0 70 10 4 0.9684694E-08 0 74 10 5 0.3381368E-08 0 78 10 6 0.8433807E-10 0 81 10 7 0.8634396E-08 0 84 10 8 0.3153400E-10 0 86 10 9 0.3844037E-11 0 88 10 10 0.2184980E-12 0 1 12 -12 0.0000000E+00 0 2 12 -11 0.0000000E+00 0 4 12 -10 0.0000000E+00 0 6 12 -9 0.0000000E+00 0 9 12 -8 0.0000000E+00 0 12 12 -7 0.0000000E+00 0 16 12 -6 0.0000000E+00 0 20 12 -5 0.0000000E+00 0 25 12 -4 0.0000000E+00 0 30 12 -3 0.0000000E+00 0 36 12 -2 0.0000000E+00 0 42 12 -1 0.0000000E+00 0 49 12 0 0.0000000E+00 0 55 12 1 0.0000000E+00 0 61 12 2 0.0000000E+00 0 66 12 3 0.0000000E+00 0 71 12 4 0.0000000E+00 0 75 12 5 0.0000000E+00 0 79 12 6 0.0000000E+00 0 82 12 7 0.0000000E+00 0 85 12 8 0.0000000E+00 0 87 12 9 0.0000000E+00 0 89 12 10 0.0000000E+00 0 90 12 11 0.0000000E+00 0 91 12 12 0.0000000E+00 1 43 0 0 0.3089602E-04 1 31 2 -2 0.1366924E-06 1 37 2 -1 0.3031871E-05 1 44 2 0 0.5025382E-05 1 50 2 1 0.3737381E-04 1 56 2 2 0.1645680E-04 1 21 4 -4 0.2136012E-08 1 26 4 -3 0.7803156E-08 1 32 4 -2 0.9654730E-07 1 38 4 -1 0.1303878E-05 1 45 4 0 0.2195927E-04 1 51 4 1 0.1516836E-03 1 57 4 2 0.1280897E-04 1 62 4 3 0.7854336E-06 1 67 4 4 0.1958226E-07 1 13 6 -6 0.0000000E+00 1 17 6 -5 0.0000000E+00 1 22 6 -4 0.0000000E+00 1 27 6 -3 0.0000000E+00 1 33 6 -2 0.0000000E+00 1 39 6 -1 0.0000000E+00 1 46 6 0 0.0000000E+00 1 52 6 1 0.0000000E+00 1 58 6 2 0.0000000E+00 1 63 6 3 0.0000000E+00 1 68 6 4 0.0000000E+00 1 72 6 5 0.0000000E+00 1 76 6 6 0.0000000E+00 1 7 8 -8 0.0000000E+00 1 10 8 -7 0.0000000E+00 1 14 8 -6 0.0000000E+00 1 18 8 -5 0.0000000E+00 1 23 8 -4 0.0000000E+00 1 28 8 -3 0.0000000E+00 1 34 8 -2 0.0000000E+00 1 40 8 -1 0.0000000E+00 1 47 8 0 0.0000000E+00 1 53 8 1 0.0000000E+00 1 59 8 2 0.0000000E+00 1 64 8 3 0.0000000E+00 1 69 8 4 0.0000000E+00 1 73 8 5 0.0000000E+00 1 77 8 6 0.0000000E+00 1 80 8 7 0.0000000E+00 1 83 8 8 0.0000000E+00 1 3 10 -10 0.0000000E+00 1 5 10 -9 0.0000000E+00 1 8 10 -8 0.0000000E+00 1 11 10 -7 0.0000000E+00 1 15 10 -6 0.0000000E+00 1 19 10 -5 0.0000000E+00 1 24 10 -4 0.0000000E+00 1 29 10 -3 0.0000000E+00 1 35 10 -2 0.0000000E+00 1 41 10 -1 0.0000000E+00 1 48 10 0 0.0000000E+00 1 54 10 1 0.0000000E+00 1 60 10 2 0.0000000E+00 1 65 10 3 0.0000000E+00 1 70 10 4 0.0000000E+00 1 74 10 5 0.0000000E+00 1 78 10 6 0.0000000E+00 1 81 10 7 0.0000000E+00 1 84 10 8 0.0000000E+00 1 86 10 9 0.0000000E+00 1 88 10 10 0.0000000E+00 1 1 12 -12 0.0000000E+00 1 2 12 -11 0.0000000E+00 1 4 12 -10 0.0000000E+00 1 6 12 -9 0.0000000E+00 1 9 12 -8 0.0000000E+00 1 12 12 -7 0.0000000E+00 1 16 12 -6 0.0000000E+00 1 20 12 -5 0.0000000E+00 1 25 12 -4 0.0000000E+00 1 30 12 -3 0.0000000E+00 1 36 12 -2 0.0000000E+00 1 42 12 -1 0.0000000E+00 1 49 12 0 0.0000000E+00 1 55 12 1 0.0000000E+00 1 61 12 2 0.0000000E+00 1 66 12 3 0.0000000E+00 1 71 12 4 0.0000000E+00 1 75 12 5 0.0000000E+00 1 79 12 6 0.0000000E+00 1 82 12 7 0.0000000E+00 1 85 12 8 0.0000000E+00 1 87 12 9 0.0000000E+00 1 89 12 10 0.0000000E+00 1 90 12 11 0.0000000E+00 1 91 12 12 0.0000000E+00 2 43 0 0 0.0000000E+00 2 31 2 -2 0.0000000E+00 2 37 2 -1 0.0000000E+00 2 44 2 0 0.0000000E+00 2 50 2 1 0.0000000E+00 2 56 2 2 0.0000000E+00 2 21 4 -4 0.0000000E+00 2 26 4 -3 0.0000000E+00 2 32 4 -2 0.0000000E+00 2 38 4 -1 0.0000000E+00 2 45 4 0 0.0000000E+00 2 51 4 1 0.0000000E+00 2 57 4 2 0.0000000E+00 2 62 4 3 0.0000000E+00 2 67 4 4 0.0000000E+00 2 13 6 -6 0.0000000E+00 2 17 6 -5 0.0000000E+00 2 22 6 -4 0.0000000E+00 2 27 6 -3 0.0000000E+00 2 33 6 -2 0.0000000E+00 2 39 6 -1 0.0000000E+00 2 46 6 0 0.0000000E+00 2 52 6 1 0.0000000E+00 2 58 6 2 0.0000000E+00 2 63 6 3 0.0000000E+00 2 68 6 4 0.0000000E+00 2 72 6 5 0.0000000E+00 2 76 6 6 0.0000000E+00 2 7 8 -8 0.0000000E+00 2 10 8 -7 0.0000000E+00 2 14 8 -6 0.0000000E+00 2 18 8 -5 0.0000000E+00 2 23 8 -4 0.0000000E+00 2 28 8 -3 0.0000000E+00 2 34 8 -2 0.0000000E+00 2 40 8 -1 0.0000000E+00 2 47 8 0 0.0000000E+00 2 53 8 1 0.0000000E+00 2 59 8 2 0.0000000E+00 2 64 8 3 0.0000000E+00 2 69 8 4 0.0000000E+00 2 73 8 5 0.0000000E+00 2 77 8 6 0.0000000E+00 2 80 8 7 0.0000000E+00 2 83 8 8 0.0000000E+00 2 3 10 -10 0.0000000E+00 2 5 10 -9 0.0000000E+00 2 8 10 -8 0.0000000E+00 2 11 10 -7 0.0000000E+00 2 15 10 -6 0.0000000E+00 2 19 10 -5 0.0000000E+00 2 24 10 -4 0.0000000E+00 2 29 10 -3 0.0000000E+00 2 35 10 -2 0.0000000E+00 2 41 10 -1 0.0000000E+00 2 48 10 0 0.0000000E+00 2 54 10 1 0.0000000E+00 2 60 10 2 0.0000000E+00 2 65 10 3 0.0000000E+00 2 70 10 4 0.0000000E+00 2 74 10 5 0.0000000E+00 2 78 10 6 0.0000000E+00 2 81 10 7 0.0000000E+00 2 84 10 8 0.0000000E+00 2 86 10 9 0.0000000E+00 2 88 10 10 0.0000000E+00 2 1 12 -12 0.0000000E+00 2 2 12 -11 0.0000000E+00 2 4 12 -10 0.0000000E+00 2 6 12 -9 0.0000000E+00 2 9 12 -8 0.0000000E+00 2 12 12 -7 0.0000000E+00 2 16 12 -6 0.0000000E+00 2 20 12 -5 0.0000000E+00 2 25 12 -4 0.0000000E+00 2 30 12 -3 0.0000000E+00 2 36 12 -2 0.0000000E+00 2 42 12 -1 0.0000000E+00 2 49 12 0 0.0000000E+00 2 55 12 1 0.0000000E+00 2 61 12 2 0.0000000E+00 2 66 12 3 0.0000000E+00 2 71 12 4 0.0000000E+00 2 75 12 5 0.0000000E+00 2 79 12 6 0.0000000E+00 2 82 12 7 0.0000000E+00 2 85 12 8 0.0000000E+00 2 87 12 9 0.0000000E+00 2 89 12 10 0.0000000E+00 2 90 12 11 0.0000000E+00 2 91 12 12 0.0000000E+00 ************************************ probabilities as function of diffraction order ************************************ v, j, mj = 0 0 0 0 0.1875176E-15 1 0.8900808E-04 2 0.2439745E-03 3 0.9803050E-04 4 0.2746542E-05 5 0.1209836E-06 6 0.1628536E-07 7 0.1750218E-07 8 0.5638818E-08 9 0.5658105E-08 v, j, mj = 0 2 -2 0 0.2820614E-09 1 0.5401031E-06 2 0.5248648E-05 3 0.3341250E-05 4 0.6203913E-06 5 0.2533372E-07 6 0.3896292E-07 7 0.2278070E-08 8 0.7309134E-09 9 0.6914687E-09 v, j, mj = 0 2 -1 0 0.1273313E-13 1 0.9349420E-05 2 0.5122660E-04 3 0.4831889E-04 4 0.7330741E-05 5 0.6888562E-07 6 0.6254137E-07 7 0.1183312E-07 8 0.1437244E-08 9 0.5660475E-09 v, j, mj = 0 2 0 0 0.6832585E-15 1 0.4492182E-03 2 0.8358588E-03 3 0.2567910E-03 4 0.8511243E-05 5 0.9252090E-07 6 0.8572637E-07 7 0.4217120E-07 8 0.9714675E-08 9 0.5480715E-08 v, j, mj = 0 2 1 0 0.4510667E-04 1 0.2272228E-03 2 0.1523755E-03 3 0.2795304E-04 4 0.7159900E-05 5 0.1752395E-06 6 0.9037907E-07 7 0.1505474E-07 8 0.2343182E-08 9 0.5817834E-09 v, j, mj = 0 2 2 0 0.2950189E-16 1 0.3661971E-05 2 0.8072737E-05 3 0.7280103E-05 4 0.6600504E-06 5 0.1196419E-06 6 0.2148896E-07 7 0.8019707E-08 8 0.9271228E-09 9 0.1112583E-08 v, j, mj = 0 4 -4 0 0.1805679E-15 1 0.3967126E-08 2 0.1727309E-06 3 0.9165730E-06 4 0.7715663E-06 5 0.1883850E-06 6 0.2146372E-07 7 0.1779841E-08 8 0.5028132E-09 9 0.3551065E-09 v, j, mj = 0 4 -3 0 0.8727163E-14 1 0.1051883E-06 2 0.6856756E-05 3 0.1149519E-04 4 0.4132279E-05 5 0.4814216E-06 6 0.2374331E-07 7 0.3217911E-08 8 0.1901599E-08 9 0.1525724E-08 v, j, mj = 0 4 -2 0 0.9321000E-08 1 0.6003557E-05 2 0.5380688E-04 3 0.4829063E-04 4 0.1410876E-04 5 0.6342241E-06 6 0.3593336E-07 7 0.6564226E-08 8 0.2903528E-08 9 0.6877622E-09 v, j, mj = 0 4 -1 0 0.1001713E-12 1 0.5527549E-04 2 0.2502696E-03 3 0.2037965E-03 4 0.2997124E-04 5 0.8444703E-06 6 0.6646880E-07 7 0.7950413E-08 8 0.2036440E-08 9 0.1326091E-08 v, j, mj = 0 4 0 0 0.9706980E-15 1 0.1302120E-02 2 0.9429199E-03 3 0.2529877E-03 4 0.3494945E-04 5 0.1328472E-05 6 0.1549877E-06 7 0.1854240E-07 8 0.6152061E-08 9 0.2036883E-08 v, j, mj = 0 4 1 0 0.6173445E-03 1 0.1526619E-02 2 0.6372594E-03 3 0.1592753E-03 4 0.2806712E-04 5 0.1396800E-05 6 0.1026780E-06 7 0.1381413E-07 8 0.1231465E-08 9 0.2638977E-09 v, j, mj = 0 4 2 0 0.1143742E-15 1 0.8918504E-04 2 0.1783164E-03 3 0.1119512E-03 4 0.2064557E-04 5 0.1236825E-05 6 0.8822038E-07 7 0.5705823E-08 8 0.2637077E-08 9 0.9071055E-09 v, j, mj = 0 4 3 0 0.2553620E-14 1 0.1238058E-04 2 0.9851182E-05 3 0.8799824E-05 4 0.5697036E-05 5 0.1021717E-05 6 0.1345315E-06 7 0.3492273E-08 8 0.1325624E-08 9 0.5236182E-09 v, j, mj = 0 4 4 0 0.1293337E-09 1 0.2433725E-06 2 0.1749732E-05 3 0.4666819E-06 4 0.9207137E-07 5 0.9729321E-07 6 0.3680131E-07 7 0.1700705E-08 8 0.5501274E-09 9 0.5243049E-09 v, j, mj = 0 6 -6 0 0.2823749E-16 1 0.2362748E-09 2 0.1048261E-08 3 0.2738866E-07 4 0.4102110E-07 5 0.7708654E-08 6 0.3718533E-08 7 0.2167052E-08 8 0.2255000E-08 9 0.0000000E+00 v, j, mj = 0 6 -5 0 0.1051571E-08 1 0.3146378E-08 2 0.5561960E-07 3 0.5171145E-06 4 0.3707035E-06 5 0.4994842E-07 6 0.8475088E-08 7 0.7890489E-08 8 0.3815328E-08 9 0.0000000E+00 v, j, mj = 0 6 -4 0 0.7008819E-15 1 0.2649455E-07 2 0.1737898E-05 3 0.5454783E-05 4 0.1938058E-05 5 0.8140556E-07 6 0.6806891E-07 7 0.1476083E-07 8 0.6057194E-08 9 0.0000000E+00 v, j, mj = 0 6 -3 0 0.1085035E-13 1 0.1024582E-05 2 0.2929241E-04 3 0.2759806E-04 4 0.3374016E-05 5 0.3397389E-06 6 0.4095728E-07 7 0.7303599E-08 8 0.1919077E-08 9 0.0000000E+00 v, j, mj = 0 6 -2 0 0.6523780E-07 1 0.2285874E-04 2 0.9253275E-04 3 0.3237326E-04 4 0.2957471E-05 5 0.2753629E-06 6 0.4915940E-07 7 0.1454858E-07 8 0.1370726E-08 9 0.0000000E+00 v, j, mj = 0 6 -1 0 0.1360751E-12 1 0.3240526E-03 2 0.3238317E-03 3 0.2344354E-04 4 0.6223684E-05 5 0.1247993E-06 6 0.1050140E-07 7 0.1574380E-08 8 0.7603040E-09 9 0.0000000E+00 v, j, mj = 0 6 0 0 0.8536685E-14 1 0.3193124E-02 2 0.2094387E-03 3 0.3308584E-04 4 0.5864284E-05 5 0.1740155E-06 6 0.1426700E-07 7 0.1379184E-07 8 0.1567416E-08 9 0.0000000E+00 v, j, mj = 0 6 1 0 0.9449634E-02 1 0.8489369E-02 2 0.7007495E-03 3 0.8602209E-05 4 0.1348839E-04 5 0.3622952E-06 6 0.3481280E-07 7 0.6075220E-08 8 0.1673616E-08 9 0.0000000E+00 v, j, mj = 0 6 2 0 0.1424723E-14 1 0.8730239E-03 2 0.1344108E-02 3 0.1755619E-03 4 0.7414956E-05 5 0.1404170E-06 6 0.2462513E-07 7 0.2469672E-07 8 0.3231737E-08 9 0.0000000E+00 v, j, mj = 0 6 3 0 0.1716662E-12 1 0.2740664E-03 2 0.5219443E-03 3 0.1875633E-03 4 0.1159463E-04 5 0.1619906E-06 6 0.9500854E-08 7 0.9687456E-09 8 0.8680859E-09 9 0.0000000E+00 v, j, mj = 0 6 4 0 0.1473650E-07 1 0.1001478E-04 2 0.1301995E-03 3 0.1011877E-03 4 0.1593847E-04 5 0.5632758E-06 6 0.1393627E-07 7 0.1225517E-07 8 0.4008490E-08 9 0.0000000E+00 v, j, mj = 0 6 5 0 0.1410584E-13 1 0.1688893E-06 2 0.1203131E-04 3 0.3003876E-04 4 0.1092567E-04 5 0.7351139E-06 6 0.1570421E-07 7 0.5636567E-08 8 0.1107951E-08 9 0.0000000E+00 v, j, mj = 0 6 6 0 0.5847747E-15 1 0.1065717E-07 2 0.8052482E-06 3 0.5099580E-05 4 0.3972145E-05 5 0.5513152E-06 6 0.1432844E-07 7 0.4892130E-08 8 0.1438931E-08 9 0.0000000E+00 v, j, mj = 0 8 -8 0 0.2421811E-11 1 0.3224336E-11 2 0.3687295E-10 3 0.2272729E-10 4 0.3320625E-10 5 0.1241166E-09 6 0.8744586E-10 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -7 0 0.7482017E-17 1 0.3245878E-09 2 0.4176744E-09 3 0.1098007E-09 4 0.3159691E-09 5 0.7046473E-09 6 0.7415250E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -6 0 0.2682421E-17 1 0.2412158E-08 2 0.1414612E-08 3 0.2672429E-08 4 0.7858230E-09 5 0.8660340E-08 6 0.5242309E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -5 0 0.2943652E-07 1 0.2143495E-07 2 0.1328086E-06 3 0.4497099E-07 4 0.5660104E-07 5 0.1378766E-07 6 0.9653656E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -4 0 0.3585650E-16 1 0.1185448E-06 2 0.4801671E-06 3 0.4472303E-06 4 0.3991812E-07 5 0.5468291E-07 6 0.1936009E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -3 0 0.3630163E-15 1 0.1460115E-04 2 0.3479844E-04 3 0.4070596E-05 4 0.1881297E-05 5 0.7841411E-07 6 0.1978662E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -2 0 0.3683410E-07 1 0.1928873E-04 2 0.2257012E-04 3 0.2923949E-05 4 0.2725710E-07 5 0.2012758E-07 6 0.8301072E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -1 0 0.1448147E-13 1 0.1010385E-01 2 0.2477459E-02 3 0.1086898E-03 4 0.8699432E-05 5 0.5899174E-07 6 0.2503779E-06 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 0 0 0.1390204E-15 1 0.2515657E-02 2 0.4284805E-03 3 0.2426238E-04 4 0.9159522E-06 5 0.8156658E-08 6 0.1720057E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 1 0 0.5993651E+00 1 0.2799706E+00 2 0.3381189E-01 3 0.1877526E-02 4 0.4199935E-04 5 0.4032874E-06 6 0.2444302E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 2 0 0.2686877E-15 1 0.2020184E-01 2 0.4252694E-02 3 0.2294212E-03 4 0.8122300E-05 5 0.4371343E-07 6 0.7671145E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 3 0 0.2196714E-13 1 0.7413484E-02 2 0.4167042E-02 3 0.3302778E-03 4 0.1519074E-04 5 0.7972492E-07 6 0.8129945E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 4 0 0.3766916E-06 1 0.1337470E-03 2 0.4870451E-03 3 0.1080982E-03 4 0.3608872E-05 5 0.3869503E-06 6 0.1712971E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 5 0 0.2094076E-14 1 0.8601879E-05 2 0.3293794E-04 3 0.1767932E-04 4 0.2403168E-05 5 0.9468818E-07 6 0.6551512E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 6 0 0.2895723E-16 1 0.2733053E-06 2 0.9160431E-06 3 0.9064393E-06 4 0.1741300E-06 5 0.1451817E-06 6 0.1206036E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 7 0 0.3205600E-08 1 0.9963005E-08 2 0.5597211E-07 3 0.4953908E-07 4 0.3679002E-07 5 0.1376490E-07 6 0.2228081E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 8 0 0.2992907E-17 1 0.2928936E-09 2 0.2454199E-08 3 0.2030191E-08 4 0.1180313E-08 5 0.3925177E-08 6 0.2318813E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 -10 0 0.1382956E-19 1 0.2358911E-13 2 0.2194233E-15 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 -9 0 0.3666080E-19 1 0.2738486E-13 2 0.2869777E-15 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 -8 0 0.5860480E-14 1 0.5242855E-13 2 0.5284045E-14 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 -7 0 0.1493716E-19 1 0.6214889E-11 2 0.1589457E-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 10 -6 0 0.1962421E-19 1 0.2215604E-10 2 0.1178468E-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 10 -5 0 0.1129325E-07 1 0.2086764E-08 2 0.1022469E-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 10 -4 0 0.9328273E-20 1 0.2287646E-09 2 0.4959996E-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 10 -3 0 0.2567588E-19 1 0.1834658E-08 2 0.6430907E-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 10 -2 0 0.6295311E-10 1 0.1934891E-07 2 0.6932060E-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 10 -1 0 0.1201031E-18 1 0.2221512E-07 2 0.4110448E-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 10 0 0 0.9881639E-19 1 0.3375129E-06 2 0.1017457E-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 10 1 0 0.1513438E-06 1 0.5925782E-07 2 0.6571268E-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 10 2 0 0.7537557E-19 1 0.4729608E-06 2 0.7572168E-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 10 3 0 0.2178883E-18 1 0.2831460E-07 2 0.9453962E-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 10 4 0 0.1330780E-08 1 0.8339552E-08 2 0.1436140E-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 10 5 0 0.7721008E-19 1 0.3277358E-08 2 0.1040095E-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 10 6 0 0.6391631E-19 1 0.8321358E-10 2 0.1124491E-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 10 7 0 0.6844193E-08 1 0.1747961E-08 2 0.4224179E-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 10 8 0 0.4769489E-20 1 0.3037553E-10 2 0.1158476E-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 10 9 0 0.1105503E-19 1 0.3800066E-11 2 0.4397130E-13 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 10 0 0.6576640E-14 1 0.2055569E-12 2 0.6364452E-14 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 0 0 0 0.1492047E-15 1 0.1720239E-04 2 0.1293313E-04 3 0.6392011E-06 4 0.8243009E-07 5 0.3445692E-07 6 0.4407029E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 2 -2 0 0.1882503E-09 1 0.3584165E-07 2 0.8952231E-07 3 0.4786987E-08 4 0.4473831E-08 5 0.1879337E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 2 -1 0 0.1627388E-15 1 0.2239462E-05 2 0.5684840E-06 3 0.1684008E-06 4 0.3134354E-07 5 0.2417994E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 2 0 0 0.8748468E-16 1 0.2285470E-05 2 0.2287905E-05 3 0.4198050E-06 4 0.2636566E-07 5 0.5836344E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 2 1 0 0.1772737E-04 1 0.1242200E-04 2 0.4392030E-05 3 0.2717726E-05 4 0.1010892E-06 5 0.1358877E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 2 2 0 0.4333668E-17 1 0.1121925E-04 2 0.4992362E-05 3 0.1992882E-06 4 0.4504982E-07 5 0.8481304E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 -4 0 0.7133469E-19 1 0.4660658E-10 2 0.2386602E-09 3 0.1362186E-08 4 0.4885599E-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 4 -3 0 0.7627053E-18 1 0.4299091E-09 2 0.1848152E-08 3 0.4467548E-08 4 0.1057547E-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 4 -2 0 0.6975541E-10 1 0.2357770E-07 2 0.6098127E-07 3 0.9190581E-08 4 0.2727988E-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 4 -1 0 0.5368420E-17 1 0.8004981E-06 2 0.4310515E-06 3 0.7061876E-07 4 0.1709531E-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 4 0 0 0.6768906E-18 1 0.1921202E-04 2 0.2727239E-05 3 0.1804229E-07 4 0.1967492E-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 4 1 0 0.6872479E-04 1 0.7644212E-04 2 0.6317619E-05 3 0.1960464E-06 4 0.2997343E-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 4 2 0 0.2226090E-18 1 0.9387577E-05 2 0.3391143E-05 3 0.2657544E-07 4 0.3678603E-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 4 3 0 0.2138859E-17 1 0.3706964E-06 2 0.3731723E-06 3 0.3975295E-07 4 0.1811987E-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 4 4 0 0.2264842E-09 1 0.5027145E-08 2 0.1093737E-07 3 0.2422779E-08 4 0.9684747E-09 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 sum of the probabilities = 1.0044847 average vibrational energy (ev) = 0.000143 average rotational energy (ev) = 0.486081 average diffraction energy (ev) = 0.004461 the reaction probability = -0.4484729D-02 $$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$ total energy = -0.40701096D+01 trans energy = 0.32142857D+00 trans energy in z = 0.32142857D+00 total momentum = 0.93167448D+01 $$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$ ************************************ rotation-diffraction summed probabilities ************************************ v probability av edif av erot 0 0.9943521E+00 0.4655420E-02 0.4755361E+00 1 0.1469135E-02 0.1322891E-01 0.9859218E-01 2 0.0000000E+00 0.0000000E+00 0.0000000E+00 ************************************ diffraction summed probabilities ************************************ v irot j m probability 0 43 0 0 0.1092951E-02 0 31 2 -2 0.3981693E-04 0 37 2 -1 0.4601780E-03 0 44 2 0 0.4145746E-02 0 50 2 1 0.1019746E-02 0 56 2 2 0.6824807E-04 0 21 4 -4 0.5576452E-05 0 26 4 -3 0.8036858E-04 0 32 4 -2 0.4449880E-03 0 38 4 -1 0.1754889E-02 0 45 4 0 0.6793884E-02 0 51 4 1 0.5710980E-02 0 57 4 2 0.1090805E-02 0 62 4 3 0.1552780E-03 0 67 4 4 0.1963388E-04 0 13 6 -6 0.1206512E-05 0 17 6 -5 0.9473878E-05 0 22 6 -4 0.6826486E-04 0 27 6 -3 0.3471636E-03 0 33 6 -2 0.6301464E-03 0 39 6 -1 0.2494616E-02 0 46 6 0 0.8575561E-02 0 52 6 1 0.3081935E-01 0 58 6 2 0.5831329E-02 0 63 6 3 0.2867588E-02 0 68 6 4 0.9812240E-03 0 72 6 5 0.2690847E-03 0 76 6 6 0.7024880E-04 0 7 8 -8 0.1475516E-08 0 10 8 -7 0.9040473E-08 0 14 8 -6 0.6366140E-07 0 18 8 -5 0.7578887E-06 0 23 8 -4 0.8461308E-05 0 28 8 -3 0.1936798E-03 0 34 8 -2 0.1554963E-03 0 40 8 -1 0.2416296E-01 0 47 8 0 0.5598154E-02 0 53 8 1 0.8157687E+00 0 59 8 2 0.4595886E-01 0 64 8 3 0.2297492E-01 0 69 8 4 0.3289446E-02 0 73 8 5 0.3458418E-03 0 77 8 6 0.2317729E-04 0 80 8 7 0.9655443E-06 0 83 8 8 0.7332602E-07 0 3 10 -10 0.1495965E-11 0 5 10 -9 0.2879013E-11 0 8 10 -8 0.1487509E-10 0 11 10 -7 0.2706304E-09 0 15 10 -6 0.3601153E-09 0 19 10 -5 0.4000898E-07 0 24 10 -4 0.2331750E-08 0 29 10 -3 0.1650792E-06 0 35 10 -2 0.1427086E-06 0 41 10 -1 0.2082235E-06 0 48 10 0 0.6617337E-06 0 54 10 1 0.1755242E-04 0 60 10 2 0.2701215E-05 0 65 10 3 0.2263132E-06 0 70 10 4 0.1388861E-06 0 74 10 5 0.3130811E-06 0 78 10 6 0.9665730E-08 0 81 10 7 0.2409248E-07 0 84 10 8 0.5696590E-09 0 86 10 9 0.2253939E-09 0 88 10 10 0.6731964E-10 0 1 12 -12 0.0000000E+00 0 2 12 -11 0.0000000E+00 0 4 12 -10 0.0000000E+00 0 6 12 -9 0.0000000E+00 0 9 12 -8 0.0000000E+00 0 12 12 -7 0.0000000E+00 0 16 12 -6 0.0000000E+00 0 20 12 -5 0.0000000E+00 0 25 12 -4 0.0000000E+00 0 30 12 -3 0.0000000E+00 0 36 12 -2 0.0000000E+00 0 42 12 -1 0.0000000E+00 0 49 12 0 0.0000000E+00 0 55 12 1 0.0000000E+00 0 61 12 2 0.0000000E+00 0 66 12 3 0.0000000E+00 0 71 12 4 0.0000000E+00 0 75 12 5 0.0000000E+00 0 79 12 6 0.0000000E+00 0 82 12 7 0.0000000E+00 0 85 12 8 0.0000000E+00 0 87 12 9 0.0000000E+00 0 89 12 10 0.0000000E+00 0 90 12 11 0.0000000E+00 0 91 12 12 0.0000000E+00 1 43 0 0 0.5653510E-04 1 31 2 -2 0.2193218E-04 1 37 2 -1 0.4015388E-04 1 44 2 0 0.1476931E-03 1 50 2 1 0.2565908E-03 1 56 2 2 0.1054677E-03 1 21 4 -4 0.1032331E-07 1 26 4 -3 0.1052345E-06 1 32 4 -2 0.9156947E-06 1 38 4 -1 0.1085752E-04 1 45 4 0 0.9839904E-04 1 51 4 1 0.5207829E-03 1 57 4 2 0.1831142E-03 1 62 4 3 0.2511432E-04 1 67 4 4 0.1062792E-05 1 13 6 -6 0.2583197E-11 1 17 6 -5 0.2994207E-09 1 22 6 -4 0.2587526E-10 1 27 6 -3 0.7108855E-09 1 33 6 -2 0.2675688E-08 1 39 6 -1 0.9659476E-08 1 46 6 0 0.9879874E-08 1 52 6 1 0.3600503E-06 1 58 6 2 0.8154700E-08 1 63 6 3 0.7764284E-08 1 68 6 4 0.5125323E-09 1 72 6 5 0.6212106E-10 1 76 6 6 0.7748987E-10 1 7 8 -8 0.0000000E+00 1 10 8 -7 0.0000000E+00 1 14 8 -6 0.0000000E+00 1 18 8 -5 0.0000000E+00 1 23 8 -4 0.0000000E+00 1 28 8 -3 0.0000000E+00 1 34 8 -2 0.0000000E+00 1 40 8 -1 0.0000000E+00 1 47 8 0 0.0000000E+00 1 53 8 1 0.0000000E+00 1 59 8 2 0.0000000E+00 1 64 8 3 0.0000000E+00 1 69 8 4 0.0000000E+00 1 73 8 5 0.0000000E+00 1 77 8 6 0.0000000E+00 1 80 8 7 0.0000000E+00 1 83 8 8 0.0000000E+00 1 3 10 -10 0.0000000E+00 1 5 10 -9 0.0000000E+00 1 8 10 -8 0.0000000E+00 1 11 10 -7 0.0000000E+00 1 15 10 -6 0.0000000E+00 1 19 10 -5 0.0000000E+00 1 24 10 -4 0.0000000E+00 1 29 10 -3 0.0000000E+00 1 35 10 -2 0.0000000E+00 1 41 10 -1 0.0000000E+00 1 48 10 0 0.0000000E+00 1 54 10 1 0.0000000E+00 1 60 10 2 0.0000000E+00 1 65 10 3 0.0000000E+00 1 70 10 4 0.0000000E+00 1 74 10 5 0.0000000E+00 1 78 10 6 0.0000000E+00 1 81 10 7 0.0000000E+00 1 84 10 8 0.0000000E+00 1 86 10 9 0.0000000E+00 1 88 10 10 0.0000000E+00 1 1 12 -12 0.0000000E+00 1 2 12 -11 0.0000000E+00 1 4 12 -10 0.0000000E+00 1 6 12 -9 0.0000000E+00 1 9 12 -8 0.0000000E+00 1 12 12 -7 0.0000000E+00 1 16 12 -6 0.0000000E+00 1 20 12 -5 0.0000000E+00 1 25 12 -4 0.0000000E+00 1 30 12 -3 0.0000000E+00 1 36 12 -2 0.0000000E+00 1 42 12 -1 0.0000000E+00 1 49 12 0 0.0000000E+00 1 55 12 1 0.0000000E+00 1 61 12 2 0.0000000E+00 1 66 12 3 0.0000000E+00 1 71 12 4 0.0000000E+00 1 75 12 5 0.0000000E+00 1 79 12 6 0.0000000E+00 1 82 12 7 0.0000000E+00 1 85 12 8 0.0000000E+00 1 87 12 9 0.0000000E+00 1 89 12 10 0.0000000E+00 1 90 12 11 0.0000000E+00 1 91 12 12 0.0000000E+00 2 43 0 0 0.0000000E+00 2 31 2 -2 0.0000000E+00 2 37 2 -1 0.0000000E+00 2 44 2 0 0.0000000E+00 2 50 2 1 0.0000000E+00 2 56 2 2 0.0000000E+00 2 21 4 -4 0.0000000E+00 2 26 4 -3 0.0000000E+00 2 32 4 -2 0.0000000E+00 2 38 4 -1 0.0000000E+00 2 45 4 0 0.0000000E+00 2 51 4 1 0.0000000E+00 2 57 4 2 0.0000000E+00 2 62 4 3 0.0000000E+00 2 67 4 4 0.0000000E+00 2 13 6 -6 0.0000000E+00 2 17 6 -5 0.0000000E+00 2 22 6 -4 0.0000000E+00 2 27 6 -3 0.0000000E+00 2 33 6 -2 0.0000000E+00 2 39 6 -1 0.0000000E+00 2 46 6 0 0.0000000E+00 2 52 6 1 0.0000000E+00 2 58 6 2 0.0000000E+00 2 63 6 3 0.0000000E+00 2 68 6 4 0.0000000E+00 2 72 6 5 0.0000000E+00 2 76 6 6 0.0000000E+00 2 7 8 -8 0.0000000E+00 2 10 8 -7 0.0000000E+00 2 14 8 -6 0.0000000E+00 2 18 8 -5 0.0000000E+00 2 23 8 -4 0.0000000E+00 2 28 8 -3 0.0000000E+00 2 34 8 -2 0.0000000E+00 2 40 8 -1 0.0000000E+00 2 47 8 0 0.0000000E+00 2 53 8 1 0.0000000E+00 2 59 8 2 0.0000000E+00 2 64 8 3 0.0000000E+00 2 69 8 4 0.0000000E+00 2 73 8 5 0.0000000E+00 2 77 8 6 0.0000000E+00 2 80 8 7 0.0000000E+00 2 83 8 8 0.0000000E+00 2 3 10 -10 0.0000000E+00 2 5 10 -9 0.0000000E+00 2 8 10 -8 0.0000000E+00 2 11 10 -7 0.0000000E+00 2 15 10 -6 0.0000000E+00 2 19 10 -5 0.0000000E+00 2 24 10 -4 0.0000000E+00 2 29 10 -3 0.0000000E+00 2 35 10 -2 0.0000000E+00 2 41 10 -1 0.0000000E+00 2 48 10 0 0.0000000E+00 2 54 10 1 0.0000000E+00 2 60 10 2 0.0000000E+00 2 65 10 3 0.0000000E+00 2 70 10 4 0.0000000E+00 2 74 10 5 0.0000000E+00 2 78 10 6 0.0000000E+00 2 81 10 7 0.0000000E+00 2 84 10 8 0.0000000E+00 2 86 10 9 0.0000000E+00 2 88 10 10 0.0000000E+00 2 1 12 -12 0.0000000E+00 2 2 12 -11 0.0000000E+00 2 4 12 -10 0.0000000E+00 2 6 12 -9 0.0000000E+00 2 9 12 -8 0.0000000E+00 2 12 12 -7 0.0000000E+00 2 16 12 -6 0.0000000E+00 2 20 12 -5 0.0000000E+00 2 25 12 -4 0.0000000E+00 2 30 12 -3 0.0000000E+00 2 36 12 -2 0.0000000E+00 2 42 12 -1 0.0000000E+00 2 49 12 0 0.0000000E+00 2 55 12 1 0.0000000E+00 2 61 12 2 0.0000000E+00 2 66 12 3 0.0000000E+00 2 71 12 4 0.0000000E+00 2 75 12 5 0.0000000E+00 2 79 12 6 0.0000000E+00 2 82 12 7 0.0000000E+00 2 85 12 8 0.0000000E+00 2 87 12 9 0.0000000E+00 2 89 12 10 0.0000000E+00 2 90 12 11 0.0000000E+00 2 91 12 12 0.0000000E+00 ************************************ probabilities as function of diffraction order ************************************ v, j, mj = 0 0 0 0 0.9505195E-15 1 0.2051348E-03 2 0.6637332E-03 3 0.2181171E-03 4 0.5180069E-05 5 0.6657679E-06 6 0.7915888E-07 7 0.3007263E-07 8 0.6292531E-08 9 0.4184217E-08 v, j, mj = 0 2 -2 0 0.1791915E-08 1 0.2490569E-05 2 0.2333198E-04 3 0.1181913E-04 4 0.2047126E-05 5 0.4755320E-07 6 0.6827365E-07 7 0.7112217E-08 8 0.2666239E-08 9 0.7294350E-09 v, j, mj = 0 2 -1 0 0.4750533E-13 1 0.4160074E-04 2 0.2323944E-03 3 0.1686820E-03 4 0.1649878E-04 5 0.8957470E-06 6 0.9036741E-07 7 0.1377676E-07 8 0.1314173E-08 9 0.7987074E-09 v, j, mj = 0 2 0 0 0.6438602E-14 1 0.1110293E-02 2 0.2378834E-02 3 0.6327691E-03 4 0.2311018E-04 5 0.5369724E-06 6 0.1226195E-06 7 0.6333148E-07 8 0.1246132E-07 9 0.3852952E-08 v, j, mj = 0 2 1 0 0.1055890E-03 1 0.5321128E-03 2 0.3038372E-03 3 0.6223590E-04 4 0.1480337E-04 5 0.9567953E-06 6 0.1779514E-06 7 0.2950618E-07 8 0.1871040E-08 9 0.1310190E-08 v, j, mj = 0 2 2 0 0.3741048E-15 1 0.1534091E-04 2 0.2945058E-04 3 0.2182109E-04 4 0.1363762E-05 5 0.1667791E-06 6 0.6495291E-07 7 0.3748672E-07 8 0.1544781E-08 9 0.9635130E-09 v, j, mj = 0 4 -4 0 0.1284054E-14 1 0.2234596E-07 2 0.5035257E-06 3 0.2628715E-05 4 0.1890827E-05 5 0.4682804E-06 6 0.5839778E-07 7 0.3194163E-08 8 0.5754323E-09 9 0.5906275E-09 v, j, mj = 0 4 -3 0 0.4084551E-13 1 0.4192752E-06 2 0.3139677E-04 3 0.3605152E-04 4 0.1124503E-04 5 0.1200770E-05 6 0.4828377E-07 7 0.4535344E-08 8 0.1523567E-08 9 0.8728249E-09 v, j, mj = 0 4 -2 0 0.2760673E-07 1 0.2687957E-04 2 0.2145014E-03 3 0.1593951E-03 4 0.4313869E-04 5 0.9407952E-06 6 0.9161610E-07 7 0.9565768E-08 8 0.2871632E-08 9 0.8521984E-09 v, j, mj = 0 4 -1 0 0.6010187E-12 1 0.1812278E-03 2 0.8303707E-03 3 0.6606581E-03 4 0.8204490E-04 5 0.4664958E-06 6 0.1072587E-06 7 0.1150825E-07 8 0.1181625E-08 9 0.1006066E-08 v, j, mj = 0 4 0 0 0.9816181E-14 1 0.3250408E-02 2 0.2568063E-02 3 0.8842091E-03 4 0.8918989E-04 5 0.1680535E-05 6 0.3108854E-06 7 0.1621626E-07 8 0.5799436E-08 9 0.7398040E-09 v, j, mj = 0 4 1 0 0.1161739E-02 1 0.3264768E-02 2 0.9803750E-03 3 0.2449658E-03 4 0.5784751E-04 5 0.1119362E-05 6 0.1439894E-06 7 0.1825486E-07 8 0.2203660E-08 9 0.2757284E-09 v, j, mj = 0 4 2 0 0.2569666E-14 1 0.3599573E-03 2 0.4879386E-03 3 0.2082347E-03 4 0.3289876E-04 5 0.1603495E-05 6 0.1587496E-06 7 0.9809300E-08 8 0.2113533E-08 9 0.1236338E-08 v, j, mj = 0 4 3 0 0.6655177E-14 1 0.6270835E-04 2 0.5966276E-04 3 0.1988595E-04 4 0.9787605E-05 5 0.2777170E-05 6 0.4430436E-06 7 0.1171729E-07 8 0.1141832E-08 9 0.2580039E-09 v, j, mj = 0 4 4 0 0.7777243E-10 1 0.1569648E-05 2 0.1322773E-04 3 0.3694115E-05 4 0.4349045E-06 5 0.4873751E-06 6 0.2115881E-06 7 0.7348678E-08 8 0.7333372E-09 9 0.3557266E-09 v, j, mj = 0 6 -6 0 0.4128736E-15 1 0.8794180E-09 2 0.1587139E-07 3 0.3950687E-06 4 0.6253741E-06 5 0.1540922E-06 6 0.1171956E-07 7 0.9046324E-09 8 0.2268095E-08 9 0.3343836E-09 v, j, mj = 0 6 -5 0 0.2262597E-07 1 0.2868241E-07 2 0.5139293E-06 3 0.5009445E-05 4 0.3387506E-05 5 0.4662746E-06 6 0.3311285E-07 7 0.7646312E-08 8 0.4132294E-08 9 0.5230807E-09 v, j, mj = 0 6 -4 0 0.6552187E-14 1 0.1727887E-06 2 0.1455843E-04 3 0.4146903E-04 4 0.1147433E-04 5 0.5184588E-06 6 0.5274886E-07 7 0.1389857E-07 8 0.4833182E-08 9 0.3369903E-09 v, j, mj = 0 6 -3 0 0.1310246E-12 1 0.5885003E-05 2 0.1770224E-03 3 0.1490130E-03 4 0.1445606E-04 5 0.7204271E-06 6 0.5365052E-07 7 0.9428123E-08 8 0.3360079E-08 9 0.2935605E-09 v, j, mj = 0 6 -2 0 0.1147113E-06 1 0.7965932E-04 2 0.4028423E-03 3 0.1276926E-03 4 0.1868862E-04 5 0.1089775E-05 6 0.4242264E-07 7 0.1455549E-07 8 0.1958662E-08 9 0.1792224E-09 v, j, mj = 0 6 -1 0 0.1075045E-11 1 0.1279962E-02 2 0.1011186E-02 3 0.1693582E-03 4 0.3354244E-04 5 0.5404017E-06 6 0.2127617E-07 7 0.3690374E-08 8 0.1595240E-08 9 0.1311999E-09 v, j, mj = 0 6 0 0 0.5153415E-13 1 0.7893018E-02 2 0.4104937E-03 3 0.2427529E-03 4 0.2897727E-04 5 0.2953496E-06 6 0.1846195E-07 7 0.3483189E-08 8 0.2198161E-08 9 0.1685002E-09 v, j, mj = 0 6 1 0 0.1788881E-01 1 0.1188564E-01 2 0.8070844E-03 3 0.1743431E-03 4 0.6198805E-04 5 0.1426692E-05 6 0.4347215E-07 7 0.4984864E-08 8 0.2450046E-08 9 0.1381413E-09 v, j, mj = 0 6 2 0 0.9284336E-14 1 0.2283888E-02 2 0.3069494E-02 3 0.4592052E-03 4 0.1825750E-04 5 0.4364116E-06 6 0.1819749E-07 7 0.2298472E-07 8 0.6041121E-08 9 0.3695202E-09 v, j, mj = 0 6 3 0 0.8735539E-12 1 0.8687431E-03 2 0.1412049E-02 3 0.5477331E-03 4 0.3794016E-04 5 0.1097410E-05 6 0.2115749E-07 7 0.3234499E-08 8 0.1012746E-08 9 0.6110476E-10 v, j, mj = 0 6 4 0 0.4137224E-07 1 0.5579907E-04 2 0.5321291E-03 3 0.3442115E-03 4 0.4773503E-04 5 0.1274819E-05 6 0.2387152E-07 7 0.4440853E-08 8 0.4571099E-08 9 0.1810914E-09 v, j, mj = 0 6 5 0 0.8594969E-13 1 0.8988430E-06 2 0.6961531E-04 3 0.1464990E-03 4 0.4791450E-04 5 0.4019832E-05 6 0.1301355E-06 7 0.5696786E-08 8 0.1308044E-08 9 0.1395296E-09 v, j, mj = 0 6 6 0 0.4940947E-14 1 0.1148387E-06 2 0.6114428E-05 3 0.3235741E-04 4 0.2642300E-04 5 0.5007054E-05 6 0.2264315E-06 7 0.4775984E-08 8 0.7846978E-09 9 0.7645891E-10 v, j, mj = 0 8 -8 0 0.1244732E-10 1 0.6154945E-10 2 0.3736676E-09 3 0.2914257E-09 4 0.8700119E-10 5 0.2324975E-09 6 0.2382697E-09 7 0.1786575E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -7 0 0.2483985E-15 1 0.2585403E-09 2 0.2012993E-08 3 0.2845799E-08 4 0.8509755E-09 5 0.1029150E-08 6 0.1342234E-08 7 0.7007815E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -6 0 0.1170587E-15 1 0.1159752E-07 2 0.1243993E-07 3 0.2068040E-07 4 0.4738713E-08 5 0.1004949E-07 6 0.3591351E-08 7 0.5640039E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -5 0 0.9376437E-07 1 0.2710345E-07 2 0.1816356E-06 3 0.3347030E-06 4 0.1039776E-06 5 0.8369495E-08 6 0.8243036E-08 7 0.9225256E-10 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -4 0 0.5864533E-15 1 0.2159609E-06 2 0.3559208E-05 3 0.4251269E-05 4 0.3709251E-06 5 0.5395128E-07 6 0.9912606E-08 7 0.8115731E-10 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -3 0 0.1588855E-13 1 0.4092577E-04 2 0.1326946E-03 3 0.1774239E-04 4 0.2261686E-05 5 0.4545764E-07 6 0.8531839E-08 7 0.1318331E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -2 0 0.7121576E-07 1 0.4923213E-04 2 0.9966872E-04 3 0.6286550E-05 4 0.1862533E-06 5 0.4897427E-07 6 0.2141600E-08 7 0.3496801E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -1 0 0.4458789E-12 1 0.2082120E-01 2 0.3172300E-02 3 0.1536275E-03 4 0.1548262E-04 5 0.2217779E-06 6 0.1245468E-06 7 0.2310098E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 0 0 0.2338940E-14 1 0.5172250E-02 2 0.3670612E-03 3 0.5702443E-04 4 0.1763545E-05 5 0.4979751E-07 6 0.5015138E-08 7 0.1595120E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 1 0 0.6317379E+00 1 0.1529582E+00 2 0.2923620E-01 3 0.1777937E-02 4 0.5780168E-04 5 0.6918470E-06 6 0.2604179E-07 7 0.1816210E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 2 0 0.2297897E-14 1 0.4111413E-01 2 0.4298490E-02 3 0.5219339E-03 4 0.2391707E-04 5 0.3906870E-06 6 0.6331823E-08 7 0.9418717E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 3 0 0.5957355E-12 1 0.1402233E-01 2 0.8357119E-02 3 0.5562946E-03 4 0.3854290E-04 5 0.5888054E-06 6 0.4790990E-07 7 0.4057289E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 4 0 0.6826622E-06 1 0.5447936E-03 2 0.2209446E-02 3 0.5144429E-03 4 0.1938524E-04 5 0.6533379E-06 6 0.3996090E-07 7 0.2116685E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 5 0 0.6463441E-13 1 0.1376216E-04 2 0.1689688E-03 3 0.1488399E-03 4 0.1405354E-04 5 0.1879799E-06 6 0.2922757E-07 7 0.1877369E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 6 0 0.9463927E-15 1 0.3356407E-06 2 0.7746201E-05 3 0.1225245E-04 4 0.2687499E-05 5 0.1083423E-06 6 0.4442282E-07 7 0.2736853E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 7 0 0.2062449E-08 1 0.2047700E-07 2 0.1392549E-06 3 0.5112046E-06 4 0.2510920E-06 5 0.1197843E-07 6 0.2515599E-07 7 0.4318983E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 8 0 0.1650431E-15 1 0.1996949E-08 2 0.1129285E-07 3 0.3609205E-07 4 0.1355383E-07 5 0.3828770E-08 6 0.5129685E-08 7 0.1431884E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 -10 0 0.1209644E-18 1 0.4311079E-12 2 0.7217817E-12 3 0.3430756E-12 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 -9 0 0.2709886E-18 1 0.5522309E-12 2 0.1304012E-11 3 0.1022770E-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 10 -8 0 0.7120593E-13 1 0.3736985E-11 2 0.4435670E-11 3 0.6631229E-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 10 -7 0 0.8035746E-19 1 0.2373062E-10 2 0.2032427E-09 3 0.4365709E-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 10 -6 0 0.3310656E-19 1 0.6792819E-10 2 0.2643407E-09 3 0.2784639E-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 10 -5 0 0.1099176E-08 1 0.7724831E-08 2 0.2928721E-07 3 0.1897758E-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 10 -4 0 0.6493618E-18 1 0.1156621E-09 2 0.1984347E-08 3 0.2317412E-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 10 -3 0 0.3588488E-17 1 0.1487585E-06 2 0.1532109E-07 3 0.9995384E-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 10 -2 0 0.4549842E-08 1 0.2416080E-07 2 0.1059827E-06 3 0.8015241E-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 10 -1 0 0.2528329E-17 1 0.1631932E-06 2 0.4077389E-07 3 0.4256430E-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 10 0 0 0.3346012E-17 1 0.3218193E-06 2 0.2874251E-06 3 0.5248941E-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 10 1 0 0.8549659E-05 1 0.7862653E-05 2 0.1095856E-05 3 0.4425403E-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 10 2 0 0.1348585E-17 1 0.2064035E-05 2 0.4811743E-06 3 0.1560057E-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 10 3 0 0.1445683E-16 1 0.1570485E-06 2 0.6371777E-07 3 0.5546979E-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 10 4 0 0.4662745E-08 1 0.1692759E-07 2 0.1030652E-06 3 0.1423052E-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 10 5 0 0.2440834E-17 1 0.2793500E-06 2 0.3041177E-07 3 0.3319429E-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 10 6 0 0.5446973E-19 1 0.5612669E-08 2 0.3416981E-08 3 0.6360794E-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 10 7 0 0.2978920E-08 1 0.5678603E-08 2 0.1424541E-07 3 0.1189539E-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 10 8 0 0.1404514E-18 1 0.2148204E-09 2 0.2784604E-09 3 0.7637818E-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 10 9 0 0.1316125E-18 1 0.2515593E-10 2 0.1802826E-09 3 0.1995532E-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 10 10 0 0.4612058E-13 1 0.4197149E-11 2 0.1827379E-10 3 0.4480258E-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 = 1 0 0 0 0.1305398E-14 1 0.2137307E-04 2 0.2733817E-04 3 0.5963113E-05 4 0.1727361E-05 5 0.1230785E-06 6 0.1023394E-07 7 0.8354991E-10 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 2 -2 0 0.1267522E-09 1 0.1481621E-05 2 0.1347875E-04 3 0.6440829E-05 4 0.5209530E-06 5 0.6108112E-08 6 0.3788831E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 2 -1 0 0.2456694E-14 1 0.1615226E-04 2 0.1611673E-04 3 0.7313855E-05 4 0.5516576E-06 5 0.1851999E-07 6 0.8645025E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 2 0 0 0.2063361E-14 1 0.9138974E-04 2 0.5369795E-04 3 0.2151105E-05 4 0.4038536E-06 5 0.3433094E-07 6 0.1612200E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 2 1 0 0.4875018E-04 1 0.1245074E-03 2 0.6009547E-04 3 0.2215114E-04 4 0.1050393E-05 5 0.3405035E-07 6 0.2146650E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 2 2 0 0.2333232E-15 1 0.4689556E-04 2 0.5334260E-04 3 0.4247935E-05 4 0.9524767E-06 5 0.2745775E-07 6 0.1697456E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 -4 0 0.6827637E-16 1 0.9209350E-09 2 0.1692394E-08 3 0.1274413E-08 4 0.4497478E-08 5 0.1938087E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 -3 0 0.2106605E-16 1 0.6180772E-08 2 0.6103561E-07 3 0.2396442E-07 4 0.1285017E-07 5 0.1203477E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 -2 0 0.9350105E-09 1 0.2357809E-06 2 0.6234553E-06 3 0.4598270E-07 4 0.8403917E-08 5 0.1136837E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 -1 0 0.1980154E-15 1 0.7192755E-05 2 0.3447967E-05 3 0.1948745E-06 4 0.2128177E-07 5 0.6430313E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 0 0 0.1563684E-15 1 0.7676569E-04 2 0.2073304E-04 3 0.8950260E-06 4 0.3434506E-08 5 0.1849661E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 1 0 0.2700949E-03 1 0.2272695E-03 2 0.2064217E-04 3 0.2737511E-05 4 0.3704282E-07 5 0.1758153E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 2 0 0.9914434E-17 1 0.1293394E-03 2 0.5296510E-04 3 0.8002042E-06 4 0.9294656E-08 5 0.2406075E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 3 0 0.3972748E-15 1 0.8701160E-05 2 0.1475051E-04 3 0.1650913E-05 4 0.1139004E-07 5 0.3453628E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 4 0 0.1710567E-10 1 0.1313486E-06 2 0.7485050E-06 3 0.1763948E-06 4 0.6193033E-08 5 0.3336561E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 6 -6 0 0.8144072E-19 1 0.1501267E-11 2 0.1081930E-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 = 1 6 -5 0 0.8308597E-10 1 0.2158463E-09 2 0.4884839E-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 = 1 6 -4 0 0.2013326E-19 1 0.2322155E-10 2 0.2653715E-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 = 1 6 -3 0 0.1430506E-19 1 0.6957271E-09 2 0.1515845E-10 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 6 -2 0 0.8670674E-10 1 0.2575025E-08 2 0.1395538E-10 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 6 -1 0 0.5899276E-19 1 0.9448689E-08 2 0.2107870E-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 6 0 0 0.3019331E-18 1 0.9574691E-08 2 0.3051830E-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 6 1 0 0.2359935E-06 1 0.1232210E-06 2 0.8358368E-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 6 2 0 0.1102547E-18 1 0.7103988E-08 2 0.1050712E-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 6 3 0 0.4794656E-18 1 0.7447434E-08 2 0.3168505E-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 6 4 0 0.2464346E-09 1 0.2605025E-09 2 0.5595226E-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 = 1 6 5 0 0.5151214E-19 1 0.4875719E-10 2 0.1336387E-10 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 6 6 0 0.1327990E-19 1 0.7411261E-10 2 0.3377266E-11 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 sum of the probabilities = 0.9958212 average vibrational energy (ev) = 0.000752 average rotational energy (ev) = 0.474980 average diffraction energy (ev) = 0.004668 the reaction probability = 0.4178783D-02 $$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$ total energy = -0.40129667D+01 trans energy = 0.37857143D+00 trans energy in z = 0.37857143D+00 total momentum = 0.10111041D+02 $$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$ ************************************ rotation-diffraction summed probabilities ************************************ v probability av edif av erot 0 0.9913433E+00 0.5740929E-02 0.4612118E+00 1 0.4838514E-02 0.1835546E-01 0.9904657E-01 2 0.0000000E+00 0.0000000E+00 0.0000000E+00 ************************************ diffraction summed probabilities ************************************ v irot j m probability 0 43 0 0 0.1920385E-02 0 31 2 -2 0.1353210E-03 0 37 2 -1 0.1131534E-02 0 44 2 0 0.7940732E-02 0 50 2 1 0.1797475E-02 0 56 2 2 0.1328618E-03 0 21 4 -4 0.4996841E-05 0 26 4 -3 0.1674213E-03 0 32 4 -2 0.1060432E-02 0 38 4 -1 0.4082201E-02 0 45 4 0 0.1337777E-01 0 51 4 1 0.8062908E-02 0 57 4 2 0.2096646E-02 0 62 4 3 0.4773568E-03 0 67 4 4 0.5906464E-04 0 13 6 -6 0.1025911E-04 0 17 6 -5 0.5884538E-04 0 22 6 -4 0.3330087E-03 0 27 6 -3 0.1302435E-02 0 33 6 -2 0.1894760E-02 0 39 6 -1 0.6892296E-02 0 46 6 0 0.1727883E-01 0 52 6 1 0.3935041E-01 0 58 6 2 0.9802734E-02 0 63 6 3 0.5839537E-02 0 68 6 4 0.2441381E-02 0 72 6 5 0.8493631E-03 0 76 6 6 0.2547437E-03 0 7 8 -8 0.1543619E-07 0 10 8 -7 0.4193513E-07 0 14 8 -6 0.3543738E-06 0 18 8 -5 0.5172218E-05 0 23 8 -4 0.6231915E-04 0 28 8 -3 0.6486087E-03 0 34 8 -2 0.4643561E-03 0 40 8 -1 0.4086945E-01 0 47 8 0 0.8817539E-02 0 53 8 1 0.6899780E+00 0 59 8 2 0.7043700E-01 0 64 8 3 0.3825224E-01 0 69 8 4 0.1062803E-01 0 73 8 5 0.1839426E-02 0 77 8 6 0.2348961E-03 0 80 8 7 0.1710010E-04 0 83 8 8 0.7302831E-06 0 3 10 -10 0.2312786E-10 0 5 10 -9 0.4945504E-10 0 8 10 -8 0.1359582E-09 0 11 10 -7 0.7137090E-09 0 15 10 -6 0.1172105E-08 0 19 10 -5 0.6112719E-07 0 24 10 -4 0.5244248E-08 0 29 10 -3 0.8711140E-07 0 35 10 -2 0.4163266E-06 0 41 10 -1 0.2403063E-05 0 48 10 0 0.8634844E-05 0 54 10 1 0.2792424E-03 0 60 10 2 0.4017229E-04 0 65 10 3 0.5831634E-06 0 70 10 4 0.4300197E-06 0 74 10 5 0.2604313E-06 0 78 10 6 0.3160347E-07 0 81 10 7 0.3706188E-07 0 84 10 8 0.6569250E-08 0 86 10 9 0.1547239E-08 0 88 10 10 0.7170299E-09 0 1 12 -12 0.0000000E+00 0 2 12 -11 0.0000000E+00 0 4 12 -10 0.0000000E+00 0 6 12 -9 0.0000000E+00 0 9 12 -8 0.0000000E+00 0 12 12 -7 0.0000000E+00 0 16 12 -6 0.0000000E+00 0 20 12 -5 0.0000000E+00 0 25 12 -4 0.0000000E+00 0 30 12 -3 0.0000000E+00 0 36 12 -2 0.0000000E+00 0 42 12 -1 0.0000000E+00 0 49 12 0 0.0000000E+00 0 55 12 1 0.0000000E+00 0 61 12 2 0.0000000E+00 0 66 12 3 0.0000000E+00 0 71 12 4 0.0000000E+00 0 75 12 5 0.0000000E+00 0 79 12 6 0.0000000E+00 0 82 12 7 0.0000000E+00 0 85 12 8 0.0000000E+00 0 87 12 9 0.0000000E+00 0 89 12 10 0.0000000E+00 0 90 12 11 0.0000000E+00 0 91 12 12 0.0000000E+00 1 43 0 0 0.2149008E-03 1 31 2 -2 0.2097513E-03 1 37 2 -1 0.2801796E-03 1 44 2 0 0.5984687E-03 1 50 2 1 0.7015797E-03 1 56 2 2 0.4639381E-04 1 21 4 -4 0.1344429E-06 1 26 4 -3 0.3211358E-05 1 32 4 -2 0.3125661E-04 1 38 4 -1 0.5594116E-04 1 45 4 0 0.1969958E-03 1 51 4 1 0.9915990E-03 1 57 4 2 0.8790679E-03 1 62 4 3 0.5087556E-03 1 67 4 4 0.1082752E-03 1 13 6 -6 0.4008913E-09 1 17 6 -5 0.5934430E-09 1 22 6 -4 0.1407305E-08 1 27 6 -3 0.2786814E-08 1 33 6 -2 0.8027809E-08 1 39 6 -1 0.7747114E-07 1 46 6 0 0.2684361E-06 1 52 6 1 0.1043985E-04 1 58 6 2 0.1059089E-05 1 63 6 3 0.1228228E-06 1 68 6 4 0.8230017E-08 1 72 6 5 0.1044656E-07 1 76 6 6 0.3501223E-08 1 7 8 -8 0.0000000E+00 1 10 8 -7 0.0000000E+00 1 14 8 -6 0.0000000E+00 1 18 8 -5 0.0000000E+00 1 23 8 -4 0.0000000E+00 1 28 8 -3 0.0000000E+00 1 34 8 -2 0.0000000E+00 1 40 8 -1 0.0000000E+00 1 47 8 0 0.0000000E+00 1 53 8 1 0.0000000E+00 1 59 8 2 0.0000000E+00 1 64 8 3 0.0000000E+00 1 69 8 4 0.0000000E+00 1 73 8 5 0.0000000E+00 1 77 8 6 0.0000000E+00 1 80 8 7 0.0000000E+00 1 83 8 8 0.0000000E+00 1 3 10 -10 0.0000000E+00 1 5 10 -9 0.0000000E+00 1 8 10 -8 0.0000000E+00 1 11 10 -7 0.0000000E+00 1 15 10 -6 0.0000000E+00 1 19 10 -5 0.0000000E+00 1 24 10 -4 0.0000000E+00 1 29 10 -3 0.0000000E+00 1 35 10 -2 0.0000000E+00 1 41 10 -1 0.0000000E+00 1 48 10 0 0.0000000E+00 1 54 10 1 0.0000000E+00 1 60 10 2 0.0000000E+00 1 65 10 3 0.0000000E+00 1 70 10 4 0.0000000E+00 1 74 10 5 0.0000000E+00 1 78 10 6 0.0000000E+00 1 81 10 7 0.0000000E+00 1 84 10 8 0.0000000E+00 1 86 10 9 0.0000000E+00 1 88 10 10 0.0000000E+00 1 1 12 -12 0.0000000E+00 1 2 12 -11 0.0000000E+00 1 4 12 -10 0.0000000E+00 1 6 12 -9 0.0000000E+00 1 9 12 -8 0.0000000E+00 1 12 12 -7 0.0000000E+00 1 16 12 -6 0.0000000E+00 1 20 12 -5 0.0000000E+00 1 25 12 -4 0.0000000E+00 1 30 12 -3 0.0000000E+00 1 36 12 -2 0.0000000E+00 1 42 12 -1 0.0000000E+00 1 49 12 0 0.0000000E+00 1 55 12 1 0.0000000E+00 1 61 12 2 0.0000000E+00 1 66 12 3 0.0000000E+00 1 71 12 4 0.0000000E+00 1 75 12 5 0.0000000E+00 1 79 12 6 0.0000000E+00 1 82 12 7 0.0000000E+00 1 85 12 8 0.0000000E+00 1 87 12 9 0.0000000E+00 1 89 12 10 0.0000000E+00 1 90 12 11 0.0000000E+00 1 91 12 12 0.0000000E+00 2 43 0 0 0.0000000E+00 2 31 2 -2 0.0000000E+00 2 37 2 -1 0.0000000E+00 2 44 2 0 0.0000000E+00 2 50 2 1 0.0000000E+00 2 56 2 2 0.0000000E+00 2 21 4 -4 0.0000000E+00 2 26 4 -3 0.0000000E+00 2 32 4 -2 0.0000000E+00 2 38 4 -1 0.0000000E+00 2 45 4 0 0.0000000E+00 2 51 4 1 0.0000000E+00 2 57 4 2 0.0000000E+00 2 62 4 3 0.0000000E+00 2 67 4 4 0.0000000E+00 2 13 6 -6 0.0000000E+00 2 17 6 -5 0.0000000E+00 2 22 6 -4 0.0000000E+00 2 27 6 -3 0.0000000E+00 2 33 6 -2 0.0000000E+00 2 39 6 -1 0.0000000E+00 2 46 6 0 0.0000000E+00 2 52 6 1 0.0000000E+00 2 58 6 2 0.0000000E+00 2 63 6 3 0.0000000E+00 2 68 6 4 0.0000000E+00 2 72 6 5 0.0000000E+00 2 76 6 6 0.0000000E+00 2 7 8 -8 0.0000000E+00 2 10 8 -7 0.0000000E+00 2 14 8 -6 0.0000000E+00 2 18 8 -5 0.0000000E+00 2 23 8 -4 0.0000000E+00 2 28 8 -3 0.0000000E+00 2 34 8 -2 0.0000000E+00 2 40 8 -1 0.0000000E+00 2 47 8 0 0.0000000E+00 2 53 8 1 0.0000000E+00 2 59 8 2 0.0000000E+00 2 64 8 3 0.0000000E+00 2 69 8 4 0.0000000E+00 2 73 8 5 0.0000000E+00 2 77 8 6 0.0000000E+00 2 80 8 7 0.0000000E+00 2 83 8 8 0.0000000E+00 2 3 10 -10 0.0000000E+00 2 5 10 -9 0.0000000E+00 2 8 10 -8 0.0000000E+00 2 11 10 -7 0.0000000E+00 2 15 10 -6 0.0000000E+00 2 19 10 -5 0.0000000E+00 2 24 10 -4 0.0000000E+00 2 29 10 -3 0.0000000E+00 2 35 10 -2 0.0000000E+00 2 41 10 -1 0.0000000E+00 2 48 10 0 0.0000000E+00 2 54 10 1 0.0000000E+00 2 60 10 2 0.0000000E+00 2 65 10 3 0.0000000E+00 2 70 10 4 0.0000000E+00 2 74 10 5 0.0000000E+00 2 78 10 6 0.0000000E+00 2 81 10 7 0.0000000E+00 2 84 10 8 0.0000000E+00 2 86 10 9 0.0000000E+00 2 88 10 10 0.0000000E+00 2 1 12 -12 0.0000000E+00 2 2 12 -11 0.0000000E+00 2 4 12 -10 0.0000000E+00 2 6 12 -9 0.0000000E+00 2 9 12 -8 0.0000000E+00 2 12 12 -7 0.0000000E+00 2 16 12 -6 0.0000000E+00 2 20 12 -5 0.0000000E+00 2 25 12 -4 0.0000000E+00 2 30 12 -3 0.0000000E+00 2 36 12 -2 0.0000000E+00 2 42 12 -1 0.0000000E+00 2 49 12 0 0.0000000E+00 2 55 12 1 0.0000000E+00 2 61 12 2 0.0000000E+00 2 66 12 3 0.0000000E+00 2 71 12 4 0.0000000E+00 2 75 12 5 0.0000000E+00 2 79 12 6 0.0000000E+00 2 82 12 7 0.0000000E+00 2 85 12 8 0.0000000E+00 2 87 12 9 0.0000000E+00 2 89 12 10 0.0000000E+00 2 90 12 11 0.0000000E+00 2 91 12 12 0.0000000E+00 ************************************ probabilities as function of diffraction order ************************************ v, j, mj = 0 0 0 0 0.9726876E-15 1 0.3576326E-03 2 0.1176537E-02 3 0.3329942E-03 4 0.5029579E-04 5 0.2398166E-05 6 0.3969696E-06 7 0.1086931E-06 8 0.2002795E-07 9 0.2354381E-08 v, j, mj = 0 2 -2 0 0.1264329E-07 1 0.8986045E-05 2 0.8783131E-04 3 0.3483160E-04 4 0.3073473E-05 5 0.4260925E-06 6 0.1249875E-06 7 0.2986269E-07 8 0.4422595E-08 9 0.6081656E-09 v, j, mj = 0 2 -1 0 0.4337068E-12 1 0.9698911E-04 2 0.6290300E-03 3 0.3498073E-03 4 0.4935938E-04 5 0.5954897E-05 6 0.3469338E-06 7 0.4168602E-07 8 0.3846001E-08 9 0.1198896E-08 v, j, mj = 0 2 0 0 0.4998007E-13 1 0.1537143E-02 2 0.4846254E-02 3 0.1415260E-02 4 0.1378212E-03 5 0.3778134E-05 6 0.3353783E-06 7 0.1287761E-06 8 0.7215326E-08 9 0.4909112E-08 v, j, mj = 0 2 1 0 0.2718547E-03 1 0.1033658E-02 2 0.3815501E-03 3 0.7908684E-04 4 0.2350730E-04 5 0.7114303E-05 6 0.6163022E-06 7 0.8042173E-07 8 0.5193330E-08 9 0.1600237E-08 v, j, mj = 0 2 2 0 0.3339148E-14 1 0.5438492E-04 2 0.3618861E-04 3 0.3936215E-04 4 0.2072620E-05 5 0.2620324E-06 6 0.3800827E-06 7 0.1972837E-06 8 0.1373418E-07 9 0.3777831E-09 v, j, mj = 0 4 -4 0 0.5438614E-14 1 0.2164654E-07 2 0.6490137E-06 3 0.2523895E-05 4 0.1211549E-05 5 0.4801775E-06 6 0.8759695E-07 7 0.1967338E-07 8 0.2877055E-08 9 0.4120744E-09 v, j, mj = 0 4 -3 0 0.1055648E-12 1 0.1926942E-05 2 0.8977340E-04 3 0.6066374E-04 4 0.1359184E-04 5 0.1298711E-05 6 0.1488009E-06 7 0.1435793E-07 8 0.2712164E-08 9 0.8218435E-09 v, j, mj = 0 4 -2 0 0.7981319E-07 1 0.7552492E-04 2 0.5882942E-03 3 0.3223727E-03 4 0.7322010E-04 5 0.6950405E-06 6 0.2299171E-06 7 0.1292639E-07 8 0.1290595E-08 9 0.1220150E-08 v, j, mj = 0 4 -1 0 0.2055406E-11 1 0.3343908E-03 2 0.2021858E-02 3 0.1544827E-02 4 0.1793016E-03 5 0.1676045E-05 6 0.1274408E-06 7 0.1829698E-07 8 0.1694715E-08 9 0.3063529E-09 v, j, mj = 0 4 0 0 0.4573018E-13 1 0.4889187E-02 2 0.5942406E-02 3 0.2379269E-02 4 0.1656793E-03 5 0.4487652E-06 6 0.7362389E-06 7 0.3878575E-07 8 0.3824685E-08 9 0.1464925E-08 v, j, mj = 0 4 1 0 0.1200953E-02 1 0.5425110E-02 2 0.1005497E-02 3 0.3085917E-03 4 0.1188201E-03 5 0.3660474E-05 6 0.2517809E-06 7 0.2076638E-07 8 0.2504131E-08 9 0.5358718E-09 v, j, mj = 0 4 2 0 0.1767709E-13 1 0.9314024E-03 2 0.9153856E-03 3 0.2153482E-03 4 0.3265210E-04 5 0.1092678E-05 6 0.7066890E-06 7 0.5533025E-07 8 0.1521653E-08 9 0.1752324E-08 v, j, mj = 0 4 3 0 0.1630815E-12 1 0.2146568E-03 2 0.2060199E-03 3 0.3969554E-04 4 0.1213699E-04 5 0.3983977E-05 6 0.8019882E-06 7 0.5984208E-07 8 0.1487591E-08 9 0.3789086E-09 v, j, mj = 0 4 4 0 0.7878076E-08 1 0.6357220E-05 2 0.3911263E-04 3 0.6658561E-05 4 0.3713347E-05 5 0.2176829E-05 6 0.9397470E-06 7 0.9462883E-07 8 0.3417093E-08 9 0.3845664E-09 v, j, mj = 0 6 -6 0 0.6620553E-14 1 0.9384095E-08 2 0.1542120E-06 3 0.3460476E-05 4 0.5141592E-05 5 0.1381773E-05 6 0.1061675E-06 7 0.3968119E-08 8 0.5912484E-09 9 0.9451638E-09 v, j, mj = 0 6 -5 0 0.1933392E-06 1 0.1514430E-06 2 0.3671961E-05 3 0.3439318E-04 4 0.1822630E-04 5 0.2110530E-05 6 0.8423944E-07 7 0.8740461E-08 8 0.4541436E-08 9 0.1110078E-08 v, j, mj = 0 6 -4 0 0.4688999E-13 1 0.1045147E-05 2 0.8640103E-04 3 0.2078267E-03 4 0.3664548E-04 5 0.1031106E-05 6 0.3725756E-07 7 0.1820670E-07 8 0.2628247E-08 9 0.1168472E-08 v, j, mj = 0 6 -3 0 0.9335291E-12 1 0.2633423E-04 2 0.7422630E-03 3 0.5008473E-03 4 0.3168240E-04 5 0.1230419E-05 6 0.6609630E-07 7 0.6628251E-08 8 0.4049181E-08 9 0.5649948E-09 v, j, mj = 0 6 -2 0 0.2191663E-06 1 0.2282401E-03 2 0.1201364E-02 3 0.3781436E-03 4 0.8507564E-04 5 0.1683691E-05 6 0.2399122E-07 7 0.7736146E-08 8 0.1367748E-08 9 0.5298583E-09 v, j, mj = 0 6 -1 0 0.5276255E-11 1 0.3530916E-02 2 0.2255548E-02 3 0.9625014E-03 4 0.1417628E-03 5 0.1534456E-05 6 0.2846159E-07 7 0.2448757E-08 8 0.2154115E-08 9 0.6661415E-09 v, j, mj = 0 6 0 0 0.2006974E-12 1 0.1352933E-01 2 0.2664428E-02 3 0.9497216E-03 4 0.1340117E-03 5 0.1285325E-05 6 0.3342356E-07 7 0.1056890E-07 8 0.1202062E-08 9 0.5920457E-09 v, j, mj = 0 6 1 0 0.2211302E-01 1 0.1487916E-01 2 0.1441062E-02 3 0.7755239E-03 4 0.1411710E-03 5 0.4236780E-06 6 0.3612470E-07 7 0.2921101E-08 8 0.3131030E-08 9 0.3635749E-09 v, j, mj = 0 6 2 0 0.5305749E-13 1 0.3797986E-02 2 0.4890996E-02 3 0.1071429E-02 4 0.3989257E-04 5 0.2312399E-05 6 0.9367723E-07 7 0.1726306E-07 8 0.4875877E-08 9 0.2850248E-08 v, j, mj = 0 6 3 0 0.2008104E-11 1 0.2082618E-02 2 0.2488883E-02 3 0.1182931E-02 4 0.8197454E-04 5 0.2988956E-05 6 0.1340866E-06 7 0.4876184E-08 8 0.1401015E-08 9 0.2832323E-09 v, j, mj = 0 6 4 0 0.1876230E-06 1 0.2105302E-03 2 0.1420215E-02 3 0.7120293E-03 4 0.9603310E-04 5 0.2287804E-05 6 0.8673606E-07 7 0.6389137E-08 8 0.4046723E-08 9 0.6574624E-09 v, j, mj = 0 6 5 0 0.3822903E-12 1 0.2659876E-05 2 0.2741992E-03 3 0.4490436E-03 4 0.1151854E-03 5 0.7946589E-05 6 0.3183352E-06 7 0.7574307E-08 8 0.1317348E-08 9 0.1283987E-08 v, j, mj = 0 6 6 0 0.3778423E-13 1 0.7531366E-06 2 0.2967807E-04 3 0.1232346E-03 4 0.8165471E-04 5 0.1786150E-04 6 0.1522165E-05 7 0.3773262E-07 8 0.1471012E-08 9 0.2792997E-09 v, j, mj = 0 8 -8 0 0.1970420E-10 1 0.4763100E-09 2 0.4791539E-08 3 0.5896383E-08 4 0.2910556E-08 5 0.5384665E-09 6 0.2010740E-09 7 0.6021536E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -7 0 0.3508567E-14 1 0.5692642E-08 2 0.1193906E-07 3 0.1358558E-07 4 0.4976100E-08 5 0.1833051E-08 6 0.1831386E-08 7 0.2077306E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -6 0 0.1384741E-14 1 0.6759399E-07 2 0.4524410E-07 3 0.1618516E-06 4 0.5625523E-07 5 0.1568619E-07 6 0.5559235E-08 7 0.2183488E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -5 0 0.2897007E-06 1 0.1494294E-06 2 0.7896484E-06 3 0.3075988E-05 4 0.8131630E-06 5 0.4310940E-07 6 0.8901217E-08 7 0.2278662E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -4 0 0.5529514E-14 1 0.3153595E-06 2 0.2652923E-04 3 0.3294542E-04 4 0.2478978E-05 5 0.3546391E-07 6 0.1312432E-07 7 0.1575261E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -3 0 0.2910769E-12 1 0.1163736E-03 2 0.4778618E-03 3 0.5247051E-04 4 0.1835091E-05 5 0.4127397E-07 6 0.2100685E-07 7 0.5309986E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -2 0 0.1455449E-06 1 0.1282511E-03 2 0.3303188E-03 3 0.3650947E-05 4 0.1886281E-05 5 0.9989087E-07 6 0.2017805E-08 7 0.1540723E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -1 0 0.5966789E-11 1 0.3846933E-01 2 0.2113366E-02 3 0.2729728E-03 4 0.1326261E-04 5 0.4448705E-06 6 0.5442319E-07 7 0.1724073E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 0 0 0.1892867E-13 1 0.8553577E-02 2 0.1636782E-03 3 0.9545176E-04 4 0.4647862E-05 5 0.1716689E-06 6 0.8672616E-08 7 0.3699272E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 1 0 0.6297478E+00 1 0.3352509E-01 2 0.2576705E-01 3 0.8692975E-03 4 0.6787556E-04 5 0.8727170E-06 6 0.3436316E-07 7 0.2647810E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 2 0 0.3188702E-14 1 0.6752909E-01 2 0.1703474E-02 3 0.1175584E-02 4 0.2756825E-04 5 0.1259319E-05 6 0.9709420E-08 7 0.1256307E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 3 0 0.7358517E-11 1 0.2579319E-01 2 0.1195632E-01 3 0.4081494E-03 4 0.9291688E-04 5 0.1632103E-05 6 0.2164526E-07 7 0.5501321E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 4 0 0.1568532E-05 1 0.1912685E-02 2 0.7372154E-02 3 0.1300912E-02 4 0.3927221E-04 5 0.1400446E-05 6 0.3468053E-07 7 0.5478372E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 5 0 0.9436662E-12 1 0.2371314E-04 2 0.8821326E-03 3 0.8437985E-03 4 0.8822098E-04 5 0.1519779E-05 6 0.3593529E-07 7 0.5136247E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 6 0 0.1506798E-13 1 0.6249980E-06 2 0.6159557E-04 3 0.1338142E-03 4 0.3747012E-04 5 0.1359017E-05 6 0.2171149E-07 7 0.1050193E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 7 0 0.1491169E-07 1 0.6774983E-07 2 0.1352849E-05 3 0.1002728E-04 4 0.5268751E-05 5 0.3238001E-06 6 0.2755023E-07 7 0.1719862E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 8 0 0.2808246E-14 1 0.2304358E-07 2 0.4248832E-07 3 0.3790477E-06 4 0.2555008E-06 5 0.2209633E-07 6 0.3752838E-08 7 0.4353635E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 -10 0 0.1715862E-18 1 0.1433188E-11 2 0.4821508E-11 3 0.6197507E-11 4 0.1067565E-10 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 -9 0 0.1679723E-17 1 0.4727700E-11 2 0.1661841E-10 3 0.1805292E-10 4 0.1005600E-10 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 -8 0 0.1461515E-11 1 0.2598598E-10 2 0.4761692E-10 3 0.3209429E-10 4 0.2879947E-10 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 -7 0 0.2015385E-17 1 0.3555803E-09 2 0.1476834E-09 3 0.1849310E-09 4 0.2551427E-10 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 -6 0 0.4516045E-17 1 0.6879711E-09 2 0.2880796E-09 3 0.1249131E-09 4 0.7114125E-10 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 -5 0 0.3402101E-07 1 0.1626108E-07 2 0.9881205E-08 3 0.6377308E-09 4 0.3261670E-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 10 -4 0 0.2624370E-17 1 0.1262805E-08 2 0.2071938E-08 3 0.1603965E-08 4 0.3055407E-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 10 -3 0 0.2077516E-15 1 0.3229177E-08 2 0.8074571E-07 3 0.2248625E-08 4 0.8878942E-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 10 -2 0 0.9639832E-08 1 0.1954196E-06 2 0.1424582E-06 3 0.5880868E-07 4 0.1000023E-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 10 -1 0 0.3062413E-15 1 0.1351028E-05 2 0.9500581E-06 3 0.9525936E-07 4 0.6717932E-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 10 0 0 0.5619760E-17 1 0.7384177E-05 2 0.1054931E-05 3 0.1713522E-06 4 0.2438388E-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 10 1 0 0.1476438E-03 1 0.1251191E-03 2 0.5876228E-05 3 0.5614829E-06 4 0.4169313E-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 10 2 0 0.1168949E-16 1 0.3637540E-04 2 0.3448079E-05 3 0.2825829E-06 4 0.6622497E-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 10 3 0 0.1617067E-14 1 0.1342176E-06 2 0.4172262E-06 3 0.2335833E-07 4 0.8361336E-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 10 4 0 0.1072175E-07 1 0.1468810E-06 2 0.1602219E-06 3 0.1066195E-06 4 0.5575667E-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 10 5 0 0.3011503E-15 1 0.1595774E-07 2 0.2121376E-06 3 0.2671799E-07 4 0.5617965E-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 10 6 0 0.4268182E-17 1 0.8810651E-08 2 0.1670407E-07 3 0.4602493E-08 4 0.1486248E-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 10 7 0 0.8322488E-08 1 0.1580529E-07 2 0.1076011E-07 3 0.1220573E-08 4 0.9534165E-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 10 8 0 0.3667878E-17 1 0.2175330E-08 2 0.3029076E-08 3 0.1150253E-08 4 0.2145909E-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 10 9 0 0.4456927E-17 1 0.2343650E-09 2 0.3001537E-09 3 0.7753118E-09 4 0.2374086E-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 10 10 0 0.4358517E-11 1 0.5714605E-10 2 0.1958109E-09 3 0.1223779E-09 4 0.3373365E-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 0 0 0 0.1494424E-13 1 0.7213952E-04 2 0.1356248E-03 3 0.4890027E-05 4 0.1512253E-05 5 0.7025031E-06 6 0.2898627E-07 7 0.2715850E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 2 -2 0 0.1985400E-08 1 0.8166995E-05 2 0.1030642E-03 3 0.8467710E-04 4 0.1345385E-04 5 0.3771077E-06 6 0.8954736E-08 7 0.1100664E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 2 -1 0 0.1461291E-13 1 0.7923153E-04 2 0.1424979E-03 3 0.5508632E-04 4 0.3274983E-05 5 0.8632006E-07 6 0.2377789E-08 7 0.1271620E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 2 0 0 0.9524683E-14 1 0.4329961E-03 2 0.1523817E-03 3 0.9562938E-05 4 0.3148069E-05 5 0.3649149E-06 6 0.1423390E-07 7 0.8388018E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 2 1 0 0.9162565E-04 1 0.3191094E-03 2 0.2006332E-03 3 0.8481557E-04 4 0.5275886E-05 5 0.1150278E-06 6 0.4836493E-08 7 0.1088906E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 2 2 0 0.1814831E-14 1 0.1023275E-04 2 0.9737070E-05 3 0.1636560E-04 4 0.9426495E-05 5 0.6228872E-06 6 0.8102451E-08 7 0.9006619E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 -4 0 0.6079351E-15 1 0.2941454E-08 2 0.4661143E-07 3 0.5849480E-07 4 0.1037185E-07 5 0.1592560E-07 6 0.9778088E-10 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 -3 0 0.8169174E-15 1 0.1132077E-06 2 0.1924129E-05 3 0.1122420E-05 4 0.4408839E-07 5 0.7470041E-08 6 0.4286133E-10 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 -2 0 0.6292188E-08 1 0.4530499E-05 2 0.2221787E-04 3 0.4302876E-05 4 0.1904587E-06 5 0.8434537E-08 6 0.1773316E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 -1 0 0.5456613E-15 1 0.4364227E-04 2 0.7958308E-05 3 0.4043246E-05 4 0.2789283E-06 5 0.1838591E-07 6 0.2849969E-10 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 0 0 0.4129335E-14 1 0.1163746E-03 2 0.7640210E-04 3 0.4091893E-05 4 0.1047446E-06 5 0.2234519E-07 6 0.1253425E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 1 0 0.6486161E-03 1 0.2735582E-03 2 0.4769680E-04 3 0.2134254E-04 4 0.3465548E-06 5 0.3879135E-07 6 0.3232121E-10 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 2 0 0.5669412E-16 1 0.6041017E-03 2 0.2725501E-03 3 0.1980392E-05 4 0.4052113E-06 5 0.3045521E-07 6 0.1539241E-10 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 3 0 0.7192656E-14 1 0.1267799E-03 2 0.3215299E-03 3 0.5935944E-04 4 0.1075195E-05 5 0.1106490E-07 6 0.2295674E-10 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 4 0 0.6568477E-08 1 0.7011713E-05 2 0.6767588E-04 3 0.3223228E-04 4 0.1342432E-05 5 0.6290517E-08 6 0.2080008E-10 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 6 -6 0 0.1135655E-18 1 0.5874333E-10 2 0.2342623E-09 3 0.1078858E-09 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 6 -5 0 0.9749212E-10 1 0.3285471E-10 2 0.2584448E-09 3 0.2046514E-09 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 6 -4 0 0.4844425E-18 1 0.2845083E-09 2 0.7348238E-09 3 0.3879729E-09 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 6 -3 0 0.1479283E-17 1 0.1416393E-08 2 0.9682511E-09 3 0.4021707E-09 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 6 -2 0 0.4763481E-09 1 0.3669151E-08 2 0.1870952E-08 3 0.2011358E-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 6 -1 0 0.2768792E-16 1 0.3597377E-07 2 0.3278969E-07 3 0.8707672E-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 6 0 0 0.2489821E-17 1 0.1700336E-06 2 0.9099452E-07 3 0.7408042E-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 6 1 0 0.6235397E-05 1 0.4068965E-05 2 0.5607012E-07 3 0.7942251E-07 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 6 2 0 0.3235918E-17 1 0.7765377E-06 2 0.2671328E-06 3 0.1541845E-07 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 6 3 0 0.1771077E-16 1 0.4051575E-07 2 0.7417227E-07 3 0.8134817E-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 6 4 0 0.5978147E-09 1 0.1762754E-08 2 0.3689231E-08 3 0.2180217E-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 6 5 0 0.2395775E-18 1 0.3424928E-08 2 0.5310980E-08 3 0.1710648E-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 6 6 0 0.2858462E-18 1 0.7872880E-09 2 0.1431057E-08 3 0.1282878E-08 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 sum of the probabilities = 0.9961819 average vibrational energy (ev) = 0.002474 average rotational energy (ev) = 0.459453 average diffraction energy (ev) = 0.005802 the reaction probability = 0.3818137D-02 $$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$ total energy = -0.39558238D+01 trans energy = 0.43571429D+00 trans energy in z = 0.43571429D+00 total momentum = 0.10847330D+02 $$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$ ************************************ rotation-diffraction summed probabilities ************************************ v probability av edif av erot 0 0.9888503E+00 0.9074215E-02 0.4452762E+00 1 0.1096460E-01 0.2592475E-01 0.1083825E+00 2 0.0000000E+00 0.0000000E+00 0.0000000E+00 ************************************ diffraction summed probabilities ************************************ v irot j m probability 0 43 0 0 0.3128077E-02 0 31 2 -2 0.2475026E-03 0 37 2 -1 0.1984490E-02 0 44 2 0 0.1232471E-01 0 50 2 1 0.2477221E-02 0 56 2 2 0.2561884E-03 0 21 4 -4 0.5875657E-05 0 26 4 -3 0.2973658E-03 0 32 4 -2 0.2050205E-02 0 38 4 -1 0.6787801E-02 0 45 4 0 0.2072394E-01 0 51 4 1 0.9992259E-02 0 57 4 2 0.2890996E-02 0 62 4 3 0.9095975E-03 0 67 4 4 0.2912465E-03 0 13 6 -6 0.5494582E-04 0 17 6 -5 0.2639884E-03 0 22 6 -4 0.1185990E-02 0 27 6 -3 0.3563727E-02 0 33 6 -2 0.4216717E-02 0 39 6 -1 0.1540941E-01 0 46 6 0 0.2914536E-01 0 52 6 1 0.4118099E-01 0 58 6 2 0.1329790E-01 0 63 6 3 0.9969421E-02 0 68 6 4 0.4071409E-02 0 72 6 5 0.1621669E-02 0 76 6 6 0.4667552E-03 0 7 8 -8 0.7455728E-07 0 10 8 -7 0.1909712E-06 0 14 8 -6 0.3039025E-05 0 18 8 -5 0.4353285E-04 0 23 8 -4 0.3501276E-03 0 28 8 -3 0.1859471E-02 0 34 8 -2 0.1161688E-02 0 40 8 -1 0.6170620E-01 0 47 8 0 0.1214432E-01 0 53 8 1 0.5421954E+00 0 59 8 2 0.9113349E-01 0 64 8 3 0.5373905E-01 0 69 8 4 0.2473161E-01 0 73 8 5 0.6860830E-02 0 77 8 6 0.1573190E-02 0 80 8 7 0.2683623E-03 0 83 8 8 0.2431160E-04 0 3 10 -10 0.1473930E-09 0 5 10 -9 0.2491291E-09 0 8 10 -8 0.6110580E-09 0 11 10 -7 0.2200476E-08 0 15 10 -6 0.3052775E-08 0 19 10 -5 0.1165915E-06 0 24 10 -4 0.3634625E-07 0 29 10 -3 0.7495928E-06 0 35 10 -2 0.2724469E-05 0 41 10 -1 0.2806210E-04 0 48 10 0 0.7219264E-04 0 54 10 1 0.1776684E-02 0 60 10 2 0.3474021E-03 0 65 10 3 0.5955939E-05 0 70 10 4 0.4187783E-05 0 74 10 5 0.1239228E-05 0 78 10 6 0.1697040E-06 0 81 10 7 0.6916557E-07 0 84 10 8 0.3054954E-07 0 86 10 9 0.7116512E-08 0 88 10 10 0.3703505E-08 0 1 12 -12 0.0000000E+00 0 2 12 -11 0.0000000E+00 0 4 12 -10 0.0000000E+00 0 6 12 -9 0.0000000E+00 0 9 12 -8 0.0000000E+00 0 12 12 -7 0.0000000E+00 0 16 12 -6 0.0000000E+00 0 20 12 -5 0.0000000E+00 0 25 12 -4 0.0000000E+00 0 30 12 -3 0.0000000E+00 0 36 12 -2 0.0000000E+00 0 42 12 -1 0.0000000E+00 0 49 12 0 0.0000000E+00 0 55 12 1 0.0000000E+00 0 61 12 2 0.0000000E+00 0 66 12 3 0.0000000E+00 0 71 12 4 0.0000000E+00 0 75 12 5 0.0000000E+00 0 79 12 6 0.0000000E+00 0 82 12 7 0.0000000E+00 0 85 12 8 0.0000000E+00 0 87 12 9 0.0000000E+00 0 89 12 10 0.0000000E+00 0 90 12 11 0.0000000E+00 0 91 12 12 0.0000000E+00 1 43 0 0 0.2573570E-03 1 31 2 -2 0.3060057E-03 1 37 2 -1 0.1323591E-02 1 44 2 0 0.1087655E-02 1 50 2 1 0.7608978E-03 1 56 2 2 0.1655378E-03 1 21 4 -4 0.1544317E-04 1 26 4 -3 0.9155997E-04 1 32 4 -2 0.2920140E-03 1 38 4 -1 0.2363643E-03 1 45 4 0 0.3493815E-03 1 51 4 1 0.1785864E-02 1 57 4 2 0.1470967E-02 1 62 4 3 0.8429957E-03 1 67 4 4 0.1833032E-02 1 13 6 -6 0.3001106E-08 1 17 6 -5 0.3836351E-08 1 22 6 -4 0.3290607E-08 1 27 6 -3 0.3549329E-07 1 33 6 -2 0.3544002E-06 1 39 6 -1 0.8261143E-06 1 46 6 0 0.2079143E-05 1 52 6 1 0.1026647E-03 1 58 6 2 0.3236613E-04 1 63 6 3 0.6459899E-05 1 68 6 4 0.1084003E-05 1 72 6 5 0.2536363E-07 1 76 6 6 0.2850243E-07 1 7 8 -8 0.0000000E+00 1 10 8 -7 0.0000000E+00 1 14 8 -6 0.0000000E+00 1 18 8 -5 0.0000000E+00 1 23 8 -4 0.0000000E+00 1 28 8 -3 0.0000000E+00 1 34 8 -2 0.0000000E+00 1 40 8 -1 0.0000000E+00 1 47 8 0 0.0000000E+00 1 53 8 1 0.0000000E+00 1 59 8 2 0.0000000E+00 1 64 8 3 0.0000000E+00 1 69 8 4 0.0000000E+00 1 73 8 5 0.0000000E+00 1 77 8 6 0.0000000E+00 1 80 8 7 0.0000000E+00 1 83 8 8 0.0000000E+00 1 3 10 -10 0.0000000E+00 1 5 10 -9 0.0000000E+00 1 8 10 -8 0.0000000E+00 1 11 10 -7 0.0000000E+00 1 15 10 -6 0.0000000E+00 1 19 10 -5 0.0000000E+00 1 24 10 -4 0.0000000E+00 1 29 10 -3 0.0000000E+00 1 35 10 -2 0.0000000E+00 1 41 10 -1 0.0000000E+00 1 48 10 0 0.0000000E+00 1 54 10 1 0.0000000E+00 1 60 10 2 0.0000000E+00 1 65 10 3 0.0000000E+00 1 70 10 4 0.0000000E+00 1 74 10 5 0.0000000E+00 1 78 10 6 0.0000000E+00 1 81 10 7 0.0000000E+00 1 84 10 8 0.0000000E+00 1 86 10 9 0.0000000E+00 1 88 10 10 0.0000000E+00 1 1 12 -12 0.0000000E+00 1 2 12 -11 0.0000000E+00 1 4 12 -10 0.0000000E+00 1 6 12 -9 0.0000000E+00 1 9 12 -8 0.0000000E+00 1 12 12 -7 0.0000000E+00 1 16 12 -6 0.0000000E+00 1 20 12 -5 0.0000000E+00 1 25 12 -4 0.0000000E+00 1 30 12 -3 0.0000000E+00 1 36 12 -2 0.0000000E+00 1 42 12 -1 0.0000000E+00 1 49 12 0 0.0000000E+00 1 55 12 1 0.0000000E+00 1 61 12 2 0.0000000E+00 1 66 12 3 0.0000000E+00 1 71 12 4 0.0000000E+00 1 75 12 5 0.0000000E+00 1 79 12 6 0.0000000E+00 1 82 12 7 0.0000000E+00 1 85 12 8 0.0000000E+00 1 87 12 9 0.0000000E+00 1 89 12 10 0.0000000E+00 1 90 12 11 0.0000000E+00 1 91 12 12 0.0000000E+00 2 43 0 0 0.0000000E+00 2 31 2 -2 0.0000000E+00 2 37 2 -1 0.0000000E+00 2 44 2 0 0.0000000E+00 2 50 2 1 0.0000000E+00 2 56 2 2 0.0000000E+00 2 21 4 -4 0.0000000E+00 2 26 4 -3 0.0000000E+00 2 32 4 -2 0.0000000E+00 2 38 4 -1 0.0000000E+00 2 45 4 0 0.0000000E+00 2 51 4 1 0.0000000E+00 2 57 4 2 0.0000000E+00 2 62 4 3 0.0000000E+00 2 67 4 4 0.0000000E+00 2 13 6 -6 0.0000000E+00 2 17 6 -5 0.0000000E+00 2 22 6 -4 0.0000000E+00 2 27 6 -3 0.0000000E+00 2 33 6 -2 0.0000000E+00 2 39 6 -1 0.0000000E+00 2 46 6 0 0.0000000E+00 2 52 6 1 0.0000000E+00 2 58 6 2 0.0000000E+00 2 63 6 3 0.0000000E+00 2 68 6 4 0.0000000E+00 2 72 6 5 0.0000000E+00 2 76 6 6 0.0000000E+00 2 7 8 -8 0.0000000E+00 2 10 8 -7 0.0000000E+00 2 14 8 -6 0.0000000E+00 2 18 8 -5 0.0000000E+00 2 23 8 -4 0.0000000E+00 2 28 8 -3 0.0000000E+00 2 34 8 -2 0.0000000E+00 2 40 8 -1 0.0000000E+00 2 47 8 0 0.0000000E+00 2 53 8 1 0.0000000E+00 2 59 8 2 0.0000000E+00 2 64 8 3 0.0000000E+00 2 69 8 4 0.0000000E+00 2 73 8 5 0.0000000E+00 2 77 8 6 0.0000000E+00 2 80 8 7 0.0000000E+00 2 83 8 8 0.0000000E+00 2 3 10 -10 0.0000000E+00 2 5 10 -9 0.0000000E+00 2 8 10 -8 0.0000000E+00 2 11 10 -7 0.0000000E+00 2 15 10 -6 0.0000000E+00 2 19 10 -5 0.0000000E+00 2 24 10 -4 0.0000000E+00 2 29 10 -3 0.0000000E+00 2 35 10 -2 0.0000000E+00 2 41 10 -1 0.0000000E+00 2 48 10 0 0.0000000E+00 2 54 10 1 0.0000000E+00 2 60 10 2 0.0000000E+00 2 65 10 3 0.0000000E+00 2 70 10 4 0.0000000E+00 2 74 10 5 0.0000000E+00 2 78 10 6 0.0000000E+00 2 81 10 7 0.0000000E+00 2 84 10 8 0.0000000E+00 2 86 10 9 0.0000000E+00 2 88 10 10 0.0000000E+00 2 1 12 -12 0.0000000E+00 2 2 12 -11 0.0000000E+00 2 4 12 -10 0.0000000E+00 2 6 12 -9 0.0000000E+00 2 9 12 -8 0.0000000E+00 2 12 12 -7 0.0000000E+00 2 16 12 -6 0.0000000E+00 2 20 12 -5 0.0000000E+00 2 25 12 -4 0.0000000E+00 2 30 12 -3 0.0000000E+00 2 36 12 -2 0.0000000E+00 2 42 12 -1 0.0000000E+00 2 49 12 0 0.0000000E+00 2 55 12 1 0.0000000E+00 2 61 12 2 0.0000000E+00 2 66 12 3 0.0000000E+00 2 71 12 4 0.0000000E+00 2 75 12 5 0.0000000E+00 2 79 12 6 0.0000000E+00 2 82 12 7 0.0000000E+00 2 85 12 8 0.0000000E+00 2 87 12 9 0.0000000E+00 2 89 12 10 0.0000000E+00 2 90 12 11 0.0000000E+00 2 91 12 12 0.0000000E+00 ************************************ probabilities as function of diffraction order ************************************ v, j, mj = 0 0 0 0 0.5632563E-12 1 0.6491354E-03 2 0.1616504E-02 3 0.6406351E-03 4 0.1982300E-03 5 0.2082776E-04 6 0.2099093E-05 7 0.5128010E-06 8 0.1306843E-06 9 0.2679655E-08 v, j, mj = 0 2 -2 0 0.2634133E-07 1 0.1625110E-04 2 0.1651573E-03 3 0.5660548E-04 4 0.6708782E-05 5 0.1479401E-05 6 0.9216962E-06 7 0.3105514E-06 8 0.4013179E-07 9 0.1802625E-08 v, j, mj = 0 2 -1 0 0.2955062E-11 1 0.1588145E-03 2 0.1208413E-02 3 0.4475306E-03 4 0.1370388E-03 5 0.2811136E-04 6 0.4099051E-05 7 0.4499206E-06 8 0.3065080E-07 9 0.1869986E-08 v, j, mj = 0 2 0 0 0.1015830E-12 1 0.1350389E-02 2 0.7438827E-02 3 0.3033319E-02 4 0.4639348E-03 5 0.3501873E-04 6 0.2519308E-05 7 0.6594046E-06 8 0.4477716E-07 9 0.2230060E-08 v, j, mj = 0 2 1 0 0.6734557E-03 1 0.1270712E-02 2 0.3847639E-03 3 0.5750475E-04 4 0.6188083E-04 5 0.2239785E-04 6 0.5701573E-05 7 0.7397991E-06 8 0.6200502E-07 9 0.2214889E-08 v, j, mj = 0 2 2 0 0.5151187E-13 1 0.1794232E-03 2 0.3288888E-04 3 0.3548679E-04 4 0.3161399E-05 5 0.3190221E-05 6 0.1130455E-05 7 0.7668855E-06 8 0.1366604E-06 9 0.3885897E-08 v, j, mj = 0 4 -4 0 0.2030075E-13 1 0.1475546E-07 2 0.4790666E-06 3 0.1969424E-05 4 0.1212205E-05 5 0.1559751E-05 6 0.4766707E-06 7 0.1530171E-06 8 0.9800821E-08 9 0.9657400E-09 v, j, mj = 0 4 -3 0 0.1753197E-12 1 0.5354713E-05 2 0.1827641E-03 3 0.8746367E-04 4 0.1780969E-04 5 0.2950403E-05 6 0.8705405E-06 7 0.1417936E-06 8 0.9506481E-08 9 0.1332855E-08 v, j, mj = 0 4 -2 0 0.1485883E-06 1 0.1438336E-03 2 0.1316725E-02 3 0.4780927E-03 4 0.9410677E-04 5 0.1619500E-04 6 0.9996135E-06 7 0.9842735E-07 8 0.4489802E-08 9 0.1137741E-08 v, j, mj = 0 4 -1 0 0.7253471E-11 1 0.2494836E-03 2 0.3542058E-02 3 0.2562024E-02 4 0.4046776E-03 5 0.2918103E-04 6 0.2892638E-06 7 0.7951496E-07 8 0.6508188E-08 9 0.6962523E-09 v, j, mj = 0 4 0 0 0.2930352E-12 1 0.3983491E-02 2 0.1145941E-01 3 0.4989228E-02 4 0.2802088E-03 5 0.1012903E-04 6 0.1228712E-05 7 0.2346371E-06 8 0.7965911E-08 9 0.1959055E-08 v, j, mj = 0 4 1 0 0.8784969E-03 1 0.7368253E-02 2 0.1077850E-02 3 0.4351491E-03 4 0.1931253E-03 5 0.3831723E-04 6 0.9642827E-06 7 0.9416909E-07 8 0.7590486E-08 9 0.8965247E-09 v, j, mj = 0 4 2 0 0.5111924E-13 1 0.1736101E-02 2 0.9542208E-03 3 0.1486918E-03 4 0.3858730E-04 5 0.9146543E-05 6 0.3609025E-05 7 0.6161852E-06 8 0.2163814E-07 9 0.1828937E-08 v, j, mj = 0 4 3 0 0.3848277E-12 1 0.4486746E-03 2 0.3952281E-03 3 0.4564866E-04 4 0.1310876E-04 5 0.4719370E-05 6 0.1920883E-05 7 0.2860327E-06 8 0.1047179E-07 9 0.6546432E-09 v, j, mj = 0 4 4 0 0.7830591E-07 1 0.3305946E-04 2 0.1958629E-03 3 0.4021974E-04 4 0.1182008E-04 5 0.6810382E-05 6 0.2772904E-05 7 0.5801006E-06 8 0.4055150E-07 9 0.2043566E-08 v, j, mj = 0 6 -6 0 0.1134924E-12 1 0.2038996E-06 2 0.1044892E-05 3 0.2111965E-04 4 0.2610184E-04 5 0.5748465E-05 6 0.6868235E-06 7 0.3728521E-07 8 0.2335636E-08 9 0.6357417E-09 v, j, mj = 0 6 -5 0 0.1103272E-05 1 0.7238159E-06 2 0.1881739E-04 3 0.1728059E-03 4 0.6535738E-04 5 0.4925437E-05 6 0.2392515E-06 7 0.1033213E-07 8 0.3389872E-08 9 0.2194359E-08 v, j, mj = 0 6 -4 0 0.2844246E-12 1 0.4713917E-05 2 0.3675988E-03 3 0.7460681E-03 4 0.6699767E-04 5 0.5240200E-06 6 0.6175045E-07 7 0.2190019E-07 8 0.2836655E-08 9 0.6524206E-09 v, j, mj = 0 6 -3 0 0.5466123E-11 1 0.9013561E-04 2 0.2193468E-02 3 0.1211766E-02 4 0.6433502E-04 5 0.3935865E-05 6 0.7180322E-07 7 0.9660629E-08 8 0.3632198E-08 9 0.1247430E-08 v, j, mj = 0 6 -2 0 0.4278129E-06 1 0.4751624E-03 2 0.2419028E-02 3 0.1052720E-02 4 0.2652097E-03 5 0.4104612E-05 6 0.5675781E-07 7 0.5198991E-08 8 0.1508659E-08 9 0.7900593E-09 v, j, mj = 0 6 -1 0 0.2286491E-10 1 0.6923179E-02 2 0.4422197E-02 3 0.3531505E-02 4 0.5305025E-03 5 0.1934115E-05 6 0.8361317E-07 7 0.6005268E-08 8 0.2745758E-08 9 0.2673455E-08 v, j, mj = 0 6 0 0 0.5225090E-12 1 0.1624808E-01 2 0.8971861E-02 3 0.3490205E-02 4 0.4303082E-03 5 0.4759827E-05 6 0.1277122E-06 7 0.1707855E-07 8 0.1256186E-08 9 0.4476303E-09 v, j, mj = 0 6 1 0 0.1530908E-01 1 0.2069202E-01 2 0.3247302E-02 3 0.1689700E-02 4 0.2396517E-03 5 0.3138281E-05 6 0.9012607E-07 7 0.6081504E-08 8 0.4174994E-08 9 0.4276733E-09 v, j, mj = 0 6 2 0 0.2260117E-12 1 0.4005323E-02 2 0.6802519E-02 3 0.2367467E-02 4 0.1149984E-03 5 0.7001821E-05 6 0.5569812E-06 7 0.2969967E-07 8 0.4277557E-08 9 0.1482271E-08 v, j, mj = 0 6 3 0 0.4642024E-11 1 0.4048535E-02 2 0.3576176E-02 3 0.2220122E-02 4 0.1188674E-03 5 0.5004670E-05 6 0.6800478E-06 7 0.3458574E-07 8 0.1288328E-08 9 0.5970894E-09 v, j, mj = 0 6 4 0 0.5996155E-06 1 0.5292139E-03 2 0.2482047E-02 3 0.8850408E-03 4 0.1659989E-03 5 0.7901563E-05 6 0.5869479E-06 7 0.1500381E-07 8 0.4181401E-08 9 0.6239693E-09 v, j, mj = 0 6 5 0 0.4484778E-12 1 0.4629691E-05 2 0.7668455E-03 3 0.7407126E-03 4 0.1020559E-03 5 0.6940090E-05 6 0.4703383E-06 7 0.1333131E-07 8 0.8262226E-09 9 0.1077175E-08 v, j, mj = 0 6 6 0 0.2105500E-12 1 0.2036196E-05 2 0.7896659E-04 3 0.2529861E-03 4 0.1010431E-03 5 0.2661971E-04 6 0.4833967E-05 7 0.2637208E-06 8 0.5501599E-08 9 0.2824664E-09 v, j, mj = 0 8 -8 0 0.5753939E-11 1 0.7168086E-08 2 0.3027199E-07 3 0.1897880E-07 4 0.1361353E-07 5 0.1349105E-08 6 0.8319207E-09 7 0.1055495E-08 8 0.1282593E-08 9 0.0000000E+00 v, j, mj = 0 8 -7 0 0.4348567E-13 1 0.4125716E-07 2 0.3103744E-07 3 0.6961893E-07 4 0.3868590E-07 5 0.6844679E-08 6 0.1717659E-08 7 0.1255479E-08 8 0.5538841E-09 9 0.0000000E+00 v, j, mj = 0 8 -6 0 0.1216209E-13 1 0.1622985E-06 2 0.1319407E-06 3 0.1654409E-05 4 0.9760822E-06 5 0.9967417E-07 6 0.1018834E-07 7 0.3786578E-08 8 0.6461218E-09 9 0.0000000E+00 v, j, mj = 0 8 -5 0 0.6130640E-06 1 0.5950451E-06 2 0.6418843E-05 3 0.2778937E-04 4 0.7735020E-05 5 0.3646708E-06 6 0.1447288E-07 7 0.2276578E-08 8 0.9330289E-10 9 0.0000000E+00 v, j, mj = 0 8 -4 0 0.4110689E-13 1 0.3590432E-06 2 0.1583470E-03 3 0.1838770E-03 4 0.7490379E-05 5 0.3018595E-07 6 0.1874272E-07 7 0.3479254E-08 8 0.1725369E-08 9 0.0000000E+00 v, j, mj = 0 8 -3 0 0.2662455E-11 1 0.3180631E-03 2 0.1459228E-02 3 0.8040772E-04 4 0.1434042E-05 5 0.3047534E-06 6 0.2860050E-07 7 0.5013587E-08 8 0.2942770E-09 9 0.0000000E+00 v, j, mj = 0 8 -2 0 0.2922895E-06 1 0.3097865E-03 2 0.8064928E-03 3 0.3747866E-04 4 0.7523833E-05 5 0.1039013E-06 6 0.7337643E-08 7 0.1885721E-08 8 0.8903921E-09 9 0.0000000E+00 v, j, mj = 0 8 -1 0 0.4132265E-10 1 0.5930612E-01 2 0.1952868E-02 3 0.4342704E-03 4 0.1249572E-04 5 0.3687920E-06 6 0.5954943E-07 7 0.1219686E-07 8 0.8249774E-09 9 0.0000000E+00 v, j, mj = 0 8 0 0 0.8316018E-13 1 0.1092721E-01 2 0.1143462E-02 3 0.4916306E-04 4 0.2434719E-04 5 0.1147009E-06 6 0.1375671E-07 7 0.2553794E-08 8 0.4158530E-09 9 0.0000000E+00 v, j, mj = 0 8 1 0 0.5055204E+00 1 0.2083197E-01 2 0.1484481E-01 3 0.9502016E-03 4 0.4655533E-04 5 0.1509358E-05 6 0.2260109E-07 7 0.2163205E-08 8 0.4768966E-09 9 0.0000000E+00 v, j, mj = 0 8 2 0 0.6942116E-14 1 0.8345347E-01 2 0.6435868E-02 3 0.1183260E-02 4 0.5816380E-04 5 0.2688746E-05 6 0.3249899E-07 7 0.7650684E-08 8 0.1312801E-08 9 0.0000000E+00 v, j, mj = 0 8 3 0 0.4900241E-10 1 0.4269287E-01 2 0.9771039E-02 3 0.1103744E-02 4 0.1686523E-03 5 0.2688187E-05 6 0.5230840E-07 7 0.4186955E-08 8 0.6676245E-09 9 0.0000000E+00 v, j, mj = 0 8 4 0 0.4061105E-05 1 0.5541786E-02 2 0.1775178E-01 3 0.1356574E-02 4 0.7072457E-04 5 0.6583368E-05 6 0.8792609E-07 7 0.4373559E-08 8 0.5811032E-08 9 0.0000000E+00 v, j, mj = 0 8 5 0 0.8357815E-11 1 0.7540059E-04 2 0.3808644E-02 3 0.2732603E-02 4 0.2343715E-03 5 0.9586917E-05 6 0.2185204E-06 7 0.4026211E-08 8 0.6391243E-09 9 0.0000000E+00 v, j, mj = 0 8 6 0 0.1702690E-12 1 0.4558193E-05 2 0.3945076E-03 3 0.8905496E-03 4 0.2670657E-03 5 0.1633561E-04 6 0.1588194E-06 7 0.1275099E-07 8 0.1407418E-08 9 0.0000000E+00 v, j, mj = 0 8 7 0 0.1756812E-06 1 0.4725280E-06 2 0.1611935E-04 3 0.1455691E-03 4 0.9530182E-04 5 0.1051040E-04 6 0.2011470E-06 7 0.9934733E-08 8 0.2327110E-08 9 0.0000000E+00 v, j, mj = 0 8 8 0 0.6289344E-13 1 0.8627501E-07 2 0.6438439E-06 3 0.9570734E-05 4 0.1197166E-04 5 0.1973071E-05 6 0.5627449E-07 7 0.5062446E-08 8 0.4673658E-08 9 0.0000000E+00 v, j, mj = 0 10 -10 0 0.1842454E-16 1 0.3776508E-11 2 0.6122809E-10 3 0.2731570E-10 4 0.3049715E-10 5 0.2457554E-10 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 -9 0 0.3154776E-16 1 0.1000080E-10 2 0.1308306E-09 3 0.3073678E-10 4 0.5056470E-10 5 0.2699616E-10 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 -8 0 0.3152383E-11 1 0.2193751E-09 2 0.1872600E-09 3 0.6756496E-10 4 0.1116715E-09 5 0.2203398E-10 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 -7 0 0.1712008E-15 1 0.8019052E-09 2 0.7405317E-09 3 0.5025878E-09 4 0.1160540E-09 5 0.3939695E-10 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 -6 0 0.1361736E-15 1 0.9498674E-10 2 0.2032843E-08 3 0.6369278E-09 4 0.2508531E-09 5 0.3716407E-10 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 -5 0 0.5144591E-07 1 0.3733549E-07 2 0.2377919E-07 3 0.3166804E-08 4 0.5873421E-09 5 0.2767950E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 -4 0 0.1386516E-16 1 0.3641526E-08 2 0.2553623E-07 3 0.4706643E-08 4 0.1963565E-08 5 0.4982848E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 -3 0 0.2636059E-14 1 0.6904730E-06 2 0.2965003E-07 3 0.2510171E-07 4 0.3769881E-08 5 0.5982379E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 -2 0 0.1786294E-07 1 0.9396359E-06 2 0.1679476E-05 3 0.5224457E-07 4 0.2559675E-07 5 0.9652211E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 -1 0 0.1808322E-13 1 0.1967055E-04 2 0.8178831E-05 3 0.1592329E-06 4 0.3807014E-07 5 0.1541388E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 0 0 0.8194565E-17 1 0.6143028E-04 2 0.1062108E-04 3 0.9737634E-07 4 0.3198109E-07 5 0.1191867E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 1 0 0.1003998E-02 1 0.7467700E-03 2 0.2566327E-04 3 0.1818982E-06 4 0.2092422E-07 5 0.4979133E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 2 0 0.2109241E-15 1 0.3210182E-03 2 0.2616431E-04 3 0.1347369E-06 4 0.6010122E-07 5 0.2478045E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 3 0 0.4148048E-13 1 0.1986960E-05 2 0.3801557E-05 3 0.1378936E-06 4 0.2405763E-07 5 0.5471159E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 4 0 0.2875923E-07 1 0.1047321E-05 2 0.2651726E-05 3 0.4199706E-06 4 0.3278982E-07 5 0.7216577E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 5 0 0.4998611E-14 1 0.6113028E-06 2 0.4948086E-06 3 0.1144826E-06 4 0.1231274E-07 5 0.6320908E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 6 0 0.2112280E-15 1 0.8935373E-07 2 0.2614550E-07 3 0.4668666E-07 4 0.5846121E-08 5 0.1671957E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 7 0 0.1630087E-07 1 0.1297665E-07 2 0.2675676E-07 3 0.1057210E-07 4 0.1060230E-08 5 0.1498959E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 8 0 0.1312867E-15 1 0.7856238E-08 2 0.1209713E-07 3 0.9600578E-08 4 0.6896423E-09 5 0.3059524E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 9 0 0.3678279E-15 1 0.2589512E-08 2 0.9506047E-09 3 0.1670706E-08 4 0.1065658E-08 5 0.8400311E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 10 0 0.1419854E-09 1 0.8062086E-09 2 0.5708621E-09 3 0.3775482E-09 4 0.1067063E-08 5 0.7398383E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 0 0 0 0.6673911E-14 1 0.6144981E-04 2 0.1847653E-03 3 0.6671177E-05 4 0.1751035E-05 5 0.2383343E-05 6 0.3251004E-06 7 0.1098129E-07 8 0.2999481E-09 9 0.0000000E+00 v, j, mj = 1 2 -2 0 0.1057644E-07 1 0.2266449E-04 2 0.1848810E-03 3 0.7950238E-04 4 0.1720051E-04 5 0.1718056E-05 6 0.2681372E-07 7 0.1910386E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 2 -1 0 0.6680025E-12 1 0.3793334E-03 2 0.7227767E-03 3 0.2071503E-03 4 0.1395637E-04 5 0.3577515E-06 6 0.1498798E-07 7 0.1368552E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 2 0 0 0.4971277E-13 1 0.7488791E-03 2 0.2664801E-03 3 0.6373237E-04 4 0.6325671E-05 5 0.2147275E-05 6 0.8894240E-07 7 0.1203842E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 2 1 0 0.4640812E-04 1 0.1544686E-03 2 0.3507033E-03 3 0.1911023E-03 4 0.1740405E-04 5 0.8011010E-06 6 0.7518475E-08 7 0.2702090E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 2 2 0 0.4784815E-14 1 0.8473570E-04 2 0.2052208E-04 3 0.2248910E-04 4 0.3003751E-04 5 0.7569168E-05 6 0.1807546E-06 7 0.3446652E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 -4 0 0.9259391E-14 1 0.9771948E-07 2 0.4270364E-05 3 0.9412109E-05 4 0.1625601E-05 5 0.3497470E-07 6 0.2400332E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 -3 0 0.2762730E-13 1 0.2261911E-05 2 0.5181885E-04 3 0.3508836E-04 4 0.2375662E-05 5 0.1414316E-07 6 0.1046750E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 -2 0 0.2364112E-07 1 0.3995559E-04 2 0.2091267E-03 3 0.4134802E-04 4 0.1518862E-05 5 0.3940266E-07 6 0.1796552E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 -1 0 0.1018986E-12 1 0.1459772E-03 2 0.1840008E-04 3 0.6776214E-04 4 0.4176716E-05 5 0.4483067E-07 6 0.3363270E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 0 0 0.3195689E-13 1 0.1521192E-03 2 0.1815634E-03 3 0.1292376E-04 4 0.2646645E-05 5 0.1246496E-06 6 0.3841305E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 1 0 0.1078077E-02 1 0.3412551E-03 2 0.2774679E-03 3 0.8677854E-04 4 0.2245562E-05 5 0.2716885E-07 6 0.1359984E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 2 0 0.1834009E-14 1 0.1186249E-02 2 0.2676136E-03 3 0.1225288E-04 4 0.4644324E-05 5 0.2042376E-06 6 0.2774823E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 3 0 0.1516920E-12 1 0.2504604E-03 2 0.4670829E-03 3 0.1184217E-03 4 0.6990389E-05 5 0.3691315E-07 6 0.3510348E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 4 0 0.1545433E-07 1 0.4074768E-04 2 0.7722038E-03 3 0.8929360E-03 4 0.1251930E-03 5 0.1930968E-05 6 0.4978639E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 6 -6 0 0.1315949E-15 1 0.3058024E-09 2 0.1092624E-08 3 0.1404547E-08 4 0.1981325E-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 6 -5 0 0.7127270E-09 1 0.4010199E-10 2 0.1116128E-08 3 0.6068203E-09 4 0.1360573E-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 6 -4 0 0.5137235E-16 1 0.8542387E-09 2 0.1058585E-08 3 0.8753244E-09 4 0.5024593E-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 6 -3 0 0.2487061E-15 1 0.2359000E-08 2 0.2310041E-07 3 0.7996765E-08 4 0.2037119E-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 6 -2 0 0.2100903E-08 1 0.3114038E-07 2 0.2576229E-06 3 0.5681255E-07 4 0.6723561E-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 6 -1 0 0.3810479E-15 1 0.4848094E-06 2 0.3002056E-06 3 0.1966213E-07 4 0.2143718E-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 6 0 0 0.2063289E-15 1 0.1623871E-05 2 0.3772005E-06 3 0.7039498E-07 4 0.7676425E-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 6 1 0 0.6590258E-04 1 0.3606614E-04 2 0.2313155E-06 3 0.4449092E-06 4 0.1980090E-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 6 2 0 0.2624152E-16 1 0.2535839E-04 2 0.6939167E-05 3 0.5414880E-07 4 0.1442214E-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 6 3 0 0.9200238E-15 1 0.2873706E-05 2 0.3243680E-05 3 0.3190303E-06 4 0.2348224E-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 6 4 0 0.1930904E-08 1 0.1272429E-06 2 0.7646534E-06 3 0.1868025E-06 4 0.3373176E-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 6 5 0 0.4521612E-15 1 0.3607481E-08 2 0.5059572E-08 3 0.1049600E-07 4 0.6200586E-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 6 6 0 0.1536429E-15 1 0.3478263E-08 2 0.1097364E-07 3 0.9468817E-08 4 0.4581704E-08 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 sum of the probabilities = 0.9998149 average vibrational energy (ev) = 0.005587 average rotational energy (ev) = 0.441582 average diffraction energy (ev) = 0.009259 the reaction probability = 0.1850811D-03 $$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$ total energy = -0.38986810D+01 trans energy = 0.49285714D+00 trans energy in z = 0.49285714D+00 total momentum = 0.11536724D+02 $$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$ ************************************ rotation-diffraction summed probabilities ************************************ v probability av edif av erot 0 0.9848260E+00 0.1574624E-01 0.4303550E+00 1 0.1893132E-01 0.2830718E-01 0.1237023E+00 2 0.0000000E+00 0.0000000E+00 0.0000000E+00 ************************************ diffraction summed probabilities ************************************ v irot j m probability 0 43 0 0 0.4161228E-02 0 31 2 -2 0.4264384E-03 0 37 2 -1 0.3398906E-02 0 44 2 0 0.1626837E-01 0 50 2 1 0.3048142E-02 0 56 2 2 0.4628564E-03 0 21 4 -4 0.2290927E-04 0 26 4 -3 0.5951353E-03 0 32 4 -2 0.2997189E-02 0 38 4 -1 0.9163358E-02 0 45 4 0 0.2768976E-01 0 51 4 1 0.1044486E-01 0 57 4 2 0.3823709E-02 0 62 4 3 0.1516495E-02 0 67 4 4 0.4092389E-03 0 13 6 -6 0.1458226E-03 0 17 6 -5 0.7937460E-03 0 22 6 -4 0.3057591E-02 0 27 6 -3 0.7531677E-02 0 33 6 -2 0.7695335E-02 0 39 6 -1 0.2808973E-01 0 46 6 0 0.4112277E-01 0 52 6 1 0.3877206E-01 0 58 6 2 0.1520525E-01 0 63 6 3 0.1273952E-01 0 68 6 4 0.6095603E-02 0 72 6 5 0.2600220E-02 0 76 6 6 0.7190226E-03 0 7 8 -8 0.4878189E-06 0 10 8 -7 0.3130769E-05 0 14 8 -6 0.3108749E-04 0 18 8 -5 0.2674541E-03 0 23 8 -4 0.1355301E-02 0 28 8 -3 0.4292532E-02 0 34 8 -2 0.2359988E-02 0 40 8 -1 0.8239659E-01 0 47 8 0 0.1495123E-01 0 53 8 1 0.3882335E+00 0 59 8 2 0.1009090E+00 0 64 8 3 0.6423045E-01 0 69 8 4 0.4288696E-01 0 73 8 5 0.1799932E-01 0 77 8 6 0.5920230E-02 0 80 8 7 0.1682435E-02 0 83 8 8 0.3940559E-03 0 3 10 -10 0.5588116E-09 0 5 10 -9 0.1113199E-08 0 8 10 -8 0.4140861E-08 0 11 10 -7 0.8782049E-08 0 15 10 -6 0.2907857E-07 0 19 10 -5 0.3361048E-06 0 24 10 -4 0.3668208E-06 0 29 10 -3 0.2236977E-05 0 35 10 -2 0.2340291E-04 0 41 10 -1 0.1729471E-03 0 48 10 0 0.2912064E-03 0 54 10 1 0.5855352E-02 0 60 10 2 0.1499079E-02 0 65 10 3 0.3284458E-04 0 70 10 4 0.3039765E-04 0 74 10 5 0.5829667E-05 0 78 10 6 0.7435527E-06 0 81 10 7 0.2167743E-06 0 84 10 8 0.2156062E-06 0 86 10 9 0.1285566E-06 0 88 10 10 0.3363341E-07 0 1 12 -12 0.0000000E+00 0 2 12 -11 0.0000000E+00 0 4 12 -10 0.0000000E+00 0 6 12 -9 0.0000000E+00 0 9 12 -8 0.0000000E+00 0 12 12 -7 0.0000000E+00 0 16 12 -6 0.0000000E+00 0 20 12 -5 0.0000000E+00 0 25 12 -4 0.0000000E+00 0 30 12 -3 0.0000000E+00 0 36 12 -2 0.0000000E+00 0 42 12 -1 0.0000000E+00 0 49 12 0 0.0000000E+00 0 55 12 1 0.0000000E+00 0 61 12 2 0.0000000E+00 0 66 12 3 0.0000000E+00 0 71 12 4 0.0000000E+00 0 75 12 5 0.0000000E+00 0 79 12 6 0.0000000E+00 0 82 12 7 0.0000000E+00 0 85 12 8 0.0000000E+00 0 87 12 9 0.0000000E+00 0 89 12 10 0.0000000E+00 0 90 12 11 0.0000000E+00 0 91 12 12 0.0000000E+00 1 43 0 0 0.5845063E-03 1 31 2 -2 0.2201828E-03 1 37 2 -1 0.1750560E-02 1 44 2 0 0.1264642E-02 1 50 2 1 0.7088016E-03 1 56 2 2 0.2910147E-03 1 21 4 -4 0.3882078E-03 1 26 4 -3 0.2691777E-03 1 32 4 -2 0.1148425E-02 1 38 4 -1 0.8225375E-03 1 45 4 0 0.1250194E-02 1 51 4 1 0.2107855E-02 1 57 4 2 0.1352682E-02 1 62 4 3 0.3260039E-02 1 67 4 4 0.2567501E-02 1 13 6 -6 0.1367985E-07 1 17 6 -5 0.1921944E-07 1 22 6 -4 0.3377340E-06 1 27 6 -3 0.1881243E-05 1 33 6 -2 0.9494158E-05 1 39 6 -1 0.1362031E-04 1 46 6 0 0.2631532E-04 1 52 6 1 0.4258524E-03 1 58 6 2 0.2689890E-03 1 63 6 3 0.1671431E-03 1 68 6 4 0.2987780E-04 1 72 6 5 0.1231005E-05 1 76 6 6 0.2094760E-06 1 7 8 -8 0.4215672E-12 1 10 8 -7 0.8393751E-12 1 14 8 -6 0.1322920E-11 1 18 8 -5 0.2220651E-11 1 23 8 -4 0.3390324E-12 1 28 8 -3 0.4618506E-11 1 34 8 -2 0.1035405E-10 1 40 8 -1 0.8967691E-11 1 47 8 0 0.2017469E-10 1 53 8 1 0.5143418E-08 1 59 8 2 0.6977888E-10 1 64 8 3 0.1387639E-10 1 69 8 4 0.2946189E-10 1 73 8 5 0.1025551E-10 1 77 8 6 0.3998807E-11 1 80 8 7 0.3206261E-10 1 83 8 8 0.1141582E-11 1 3 10 -10 0.0000000E+00 1 5 10 -9 0.0000000E+00 1 8 10 -8 0.0000000E+00 1 11 10 -7 0.0000000E+00 1 15 10 -6 0.0000000E+00 1 19 10 -5 0.0000000E+00 1 24 10 -4 0.0000000E+00 1 29 10 -3 0.0000000E+00 1 35 10 -2 0.0000000E+00 1 41 10 -1 0.0000000E+00 1 48 10 0 0.0000000E+00 1 54 10 1 0.0000000E+00 1 60 10 2 0.0000000E+00 1 65 10 3 0.0000000E+00 1 70 10 4 0.0000000E+00 1 74 10 5 0.0000000E+00 1 78 10 6 0.0000000E+00 1 81 10 7 0.0000000E+00 1 84 10 8 0.0000000E+00 1 86 10 9 0.0000000E+00 1 88 10 10 0.0000000E+00 1 1 12 -12 0.0000000E+00 1 2 12 -11 0.0000000E+00 1 4 12 -10 0.0000000E+00 1 6 12 -9 0.0000000E+00 1 9 12 -8 0.0000000E+00 1 12 12 -7 0.0000000E+00 1 16 12 -6 0.0000000E+00 1 20 12 -5 0.0000000E+00 1 25 12 -4 0.0000000E+00 1 30 12 -3 0.0000000E+00 1 36 12 -2 0.0000000E+00 1 42 12 -1 0.0000000E+00 1 49 12 0 0.0000000E+00 1 55 12 1 0.0000000E+00 1 61 12 2 0.0000000E+00 1 66 12 3 0.0000000E+00 1 71 12 4 0.0000000E+00 1 75 12 5 0.0000000E+00 1 79 12 6 0.0000000E+00 1 82 12 7 0.0000000E+00 1 85 12 8 0.0000000E+00 1 87 12 9 0.0000000E+00 1 89 12 10 0.0000000E+00 1 90 12 11 0.0000000E+00 1 91 12 12 0.0000000E+00 2 43 0 0 0.0000000E+00 2 31 2 -2 0.0000000E+00 2 37 2 -1 0.0000000E+00 2 44 2 0 0.0000000E+00 2 50 2 1 0.0000000E+00 2 56 2 2 0.0000000E+00 2 21 4 -4 0.0000000E+00 2 26 4 -3 0.0000000E+00 2 32 4 -2 0.0000000E+00 2 38 4 -1 0.0000000E+00 2 45 4 0 0.0000000E+00 2 51 4 1 0.0000000E+00 2 57 4 2 0.0000000E+00 2 62 4 3 0.0000000E+00 2 67 4 4 0.0000000E+00 2 13 6 -6 0.0000000E+00 2 17 6 -5 0.0000000E+00 2 22 6 -4 0.0000000E+00 2 27 6 -3 0.0000000E+00 2 33 6 -2 0.0000000E+00 2 39 6 -1 0.0000000E+00 2 46 6 0 0.0000000E+00 2 52 6 1 0.0000000E+00 2 58 6 2 0.0000000E+00 2 63 6 3 0.0000000E+00 2 68 6 4 0.0000000E+00 2 72 6 5 0.0000000E+00 2 76 6 6 0.0000000E+00 2 7 8 -8 0.0000000E+00 2 10 8 -7 0.0000000E+00 2 14 8 -6 0.0000000E+00 2 18 8 -5 0.0000000E+00 2 23 8 -4 0.0000000E+00 2 28 8 -3 0.0000000E+00 2 34 8 -2 0.0000000E+00 2 40 8 -1 0.0000000E+00 2 47 8 0 0.0000000E+00 2 53 8 1 0.0000000E+00 2 59 8 2 0.0000000E+00 2 64 8 3 0.0000000E+00 2 69 8 4 0.0000000E+00 2 73 8 5 0.0000000E+00 2 77 8 6 0.0000000E+00 2 80 8 7 0.0000000E+00 2 83 8 8 0.0000000E+00 2 3 10 -10 0.0000000E+00 2 5 10 -9 0.0000000E+00 2 8 10 -8 0.0000000E+00 2 11 10 -7 0.0000000E+00 2 15 10 -6 0.0000000E+00 2 19 10 -5 0.0000000E+00 2 24 10 -4 0.0000000E+00 2 29 10 -3 0.0000000E+00 2 35 10 -2 0.0000000E+00 2 41 10 -1 0.0000000E+00 2 48 10 0 0.0000000E+00 2 54 10 1 0.0000000E+00 2 60 10 2 0.0000000E+00 2 65 10 3 0.0000000E+00 2 70 10 4 0.0000000E+00 2 74 10 5 0.0000000E+00 2 78 10 6 0.0000000E+00 2 81 10 7 0.0000000E+00 2 84 10 8 0.0000000E+00 2 86 10 9 0.0000000E+00 2 88 10 10 0.0000000E+00 2 1 12 -12 0.0000000E+00 2 2 12 -11 0.0000000E+00 2 4 12 -10 0.0000000E+00 2 6 12 -9 0.0000000E+00 2 9 12 -8 0.0000000E+00 2 12 12 -7 0.0000000E+00 2 16 12 -6 0.0000000E+00 2 20 12 -5 0.0000000E+00 2 25 12 -4 0.0000000E+00 2 30 12 -3 0.0000000E+00 2 36 12 -2 0.0000000E+00 2 42 12 -1 0.0000000E+00 2 49 12 0 0.0000000E+00 2 55 12 1 0.0000000E+00 2 61 12 2 0.0000000E+00 2 66 12 3 0.0000000E+00 2 71 12 4 0.0000000E+00 2 75 12 5 0.0000000E+00 2 79 12 6 0.0000000E+00 2 82 12 7 0.0000000E+00 2 85 12 8 0.0000000E+00 2 87 12 9 0.0000000E+00 2 89 12 10 0.0000000E+00 2 90 12 11 0.0000000E+00 2 91 12 12 0.0000000E+00 ************************************ probabilities as function of diffraction order ************************************ v, j, mj = 0 0 0 0 0.8846948E-13 1 0.1094278E-02 2 0.1423139E-02 3 0.1101316E-02 4 0.4086367E-03 5 0.1154601E-03 6 0.1525935E-04 7 0.2252161E-05 8 0.8044282E-06 9 0.8261605E-07 v, j, mj = 0 2 -2 0 0.4080690E-07 1 0.1810116E-04 2 0.2736556E-03 3 0.1097918E-03 4 0.1166473E-04 5 0.7601876E-05 6 0.2747641E-05 7 0.2261389E-05 8 0.5482884E-06 9 0.2520126E-07 v, j, mj = 0 2 -1 0 0.5758356E-11 1 0.3887772E-03 2 0.1983018E-02 3 0.6369514E-03 4 0.2646878E-03 5 0.9404784E-04 6 0.2615439E-04 7 0.4791580E-05 8 0.4604403E-06 9 0.1736959E-07 v, j, mj = 0 2 0 0 0.1289581E-11 1 0.1114321E-02 2 0.7903010E-02 3 0.5924354E-02 4 0.1139236E-02 5 0.1644068E-03 6 0.1923624E-04 7 0.3170346E-05 8 0.5986708E-06 9 0.3694040E-07 v, j, mj = 0 2 1 0 0.1452681E-02 1 0.8978191E-03 2 0.3822253E-03 3 0.4796919E-04 4 0.1768913E-03 5 0.6226483E-04 6 0.2187170E-04 7 0.5734660E-05 8 0.6582803E-06 9 0.2656818E-07 v, j, mj = 0 2 2 0 0.1215643E-12 1 0.3640141E-03 2 0.2139068E-04 3 0.4722464E-04 4 0.1164677E-04 5 0.8170360E-05 6 0.6964329E-05 7 0.2541151E-05 8 0.8308812E-06 9 0.7354191E-07 v, j, mj = 0 4 -4 0 0.5149318E-12 1 0.3207145E-06 2 0.6278839E-05 3 0.5846383E-05 4 0.4493423E-05 5 0.3622565E-05 6 0.1558111E-05 7 0.7041433E-06 8 0.8297458E-07 9 0.2117643E-08 v, j, mj = 0 4 -3 0 0.7581433E-12 1 0.1556309E-04 2 0.3485777E-03 3 0.1901847E-03 4 0.2235174E-04 5 0.1213283E-04 6 0.5266093E-05 7 0.9827576E-06 8 0.7244525E-07 9 0.3876117E-08 v, j, mj = 0 4 -2 0 0.5282435E-07 1 0.1178500E-03 2 0.2118476E-02 3 0.5650381E-03 4 0.1135547E-03 5 0.6921479E-04 6 0.1166830E-04 7 0.1269162E-05 8 0.6336435E-07 9 0.1481496E-08 v, j, mj = 0 4 -1 0 0.3086945E-10 1 0.1253399E-04 2 0.4553232E-02 3 0.3645188E-02 4 0.7939110E-03 5 0.1522008E-03 6 0.5721636E-05 7 0.5172526E-06 8 0.5114794E-07 9 0.1838990E-08 v, j, mj = 0 4 0 0 0.2178363E-12 1 0.1558459E-02 2 0.1589180E-01 3 0.9532123E-02 4 0.6641955E-03 5 0.3972744E-04 6 0.2110796E-05 7 0.1228743E-05 8 0.1152862E-06 9 0.5739059E-08 v, j, mj = 0 4 1 0 0.1492885E-02 1 0.6027893E-02 2 0.1807304E-02 3 0.6145787E-03 4 0.3596580E-03 5 0.1300869E-03 6 0.1154016E-04 7 0.8388963E-06 8 0.6971179E-07 9 0.1668845E-08 v, j, mj = 0 4 2 0 0.3004481E-13 1 0.2853075E-02 2 0.6216237E-03 3 0.1638916E-03 4 0.1174731E-03 5 0.5244712E-04 6 0.1207643E-04 7 0.2873529E-05 8 0.2424825E-06 9 0.5370116E-08 v, j, mj = 0 4 3 0 0.1737408E-12 1 0.7331380E-03 2 0.6891496E-03 3 0.4931535E-04 4 0.2608228E-04 5 0.1222749E-04 6 0.5246276E-05 7 0.1228668E-05 8 0.1037924E-06 9 0.3967810E-08 v, j, mj = 0 4 4 0 0.1025335E-06 1 0.6980150E-04 2 0.2700988E-03 3 0.2834138E-04 4 0.1297311E-04 5 0.1665756E-04 6 0.8209067E-05 7 0.2735367E-05 8 0.3096041E-06 9 0.9942289E-08 v, j, mj = 0 6 -6 0 0.1606637E-12 1 0.7488702E-06 2 0.2892272E-05 3 0.6817019E-04 4 0.6227490E-04 5 0.9020049E-05 6 0.2357649E-05 7 0.3462345E-06 8 0.1138837E-07 9 0.1038431E-08 v, j, mj = 0 6 -5 0 0.3760084E-05 1 0.3599422E-05 2 0.6922260E-04 3 0.5823986E-03 4 0.1264219E-03 5 0.7023232E-05 6 0.1206733E-05 7 0.1085708E-06 8 0.2984390E-08 9 0.1958416E-08 v, j, mj = 0 6 -4 0 0.6740764E-12 1 0.1371968E-04 2 0.1050348E-02 3 0.1888272E-02 4 0.1002609E-03 5 0.4399385E-05 6 0.5252060E-06 7 0.6338754E-07 8 0.1655950E-08 9 0.7778697E-09 v, j, mj = 0 6 -3 0 0.2457883E-10 1 0.2261752E-03 2 0.4389011E-02 3 0.2692343E-02 4 0.2132073E-03 5 0.9762028E-05 6 0.1075022E-05 7 0.1009019E-06 8 0.1828637E-08 9 0.9953881E-09 v, j, mj = 0 6 -2 0 0.9240076E-06 1 0.6987846E-03 2 0.3334251E-02 3 0.3006962E-02 4 0.6120744E-03 5 0.4151780E-04 6 0.7555191E-06 7 0.6106967E-07 8 0.3960310E-08 9 0.7052114E-09 v, j, mj = 0 6 -1 0 0.8159465E-10 1 0.9847076E-02 2 0.7621106E-02 3 0.8791669E-02 4 0.1800882E-02 5 0.2878650E-04 6 0.1705999E-06 7 0.3656780E-07 8 0.2224259E-08 9 0.2038675E-08 v, j, mj = 0 6 0 0 0.1288826E-11 1 0.1272300E-01 2 0.1632699E-01 3 0.1096241E-01 4 0.1078055E-02 5 0.3151105E-04 6 0.7729441E-06 7 0.3310600E-07 8 0.2682944E-08 9 0.6699803E-09 v, j, mj = 0 6 1 0 0.4098763E-02 1 0.2249472E-01 2 0.9213904E-02 3 0.2202191E-02 4 0.7405589E-03 5 0.2156431E-04 6 0.3382782E-06 7 0.1214092E-07 8 0.4852991E-08 9 0.8581718E-09 v, j, mj = 0 6 2 0 0.4499908E-12 1 0.2388259E-02 2 0.8152626E-02 3 0.4444233E-02 4 0.2024189E-03 5 0.1489585E-04 6 0.2563681E-05 7 0.2473488E-06 8 0.6960406E-08 9 0.1727440E-08 v, j, mj = 0 6 3 0 0.1848824E-10 1 0.5122950E-02 2 0.4245053E-02 3 0.3040400E-02 4 0.3069777E-03 5 0.2107575E-04 6 0.2867161E-05 7 0.1882932E-06 8 0.5934150E-08 9 0.7958114E-09 v, j, mj = 0 6 4 0 0.1567144E-05 1 0.1009840E-02 2 0.3671582E-02 3 0.1016651E-02 4 0.3558106E-03 5 0.3548202E-04 6 0.4495018E-05 7 0.1700091E-06 8 0.4197472E-08 9 0.7290582E-09 v, j, mj = 0 6 5 0 0.1760555E-11 1 0.3645672E-05 2 0.1547926E-02 3 0.9535847E-03 4 0.7324796E-04 5 0.1628013E-04 6 0.5158539E-05 7 0.3674722E-06 8 0.8087113E-08 9 0.1042175E-08 v, j, mj = 0 6 6 0 0.1677481E-13 1 0.5122398E-05 2 0.1619251E-03 3 0.4349647E-03 4 0.7970922E-04 5 0.2515895E-04 6 0.1050862E-04 7 0.1587333E-05 8 0.4555116E-07 9 0.6524082E-09 v, j, mj = 0 8 -8 0 0.1571549E-09 1 0.9188194E-07 2 0.1068660E-06 3 0.1112627E-06 4 0.1227143E-06 5 0.5112038E-07 6 0.2217280E-08 7 0.5548328E-09 8 0.1044359E-08 9 0.0000000E+00 v, j, mj = 0 8 -7 0 0.3536824E-12 1 0.1312787E-06 2 0.5172545E-07 3 0.8727547E-06 4 0.1697353E-05 5 0.3606372E-06 6 0.1226176E-07 7 0.3583193E-08 8 0.1174324E-08 9 0.0000000E+00 v, j, mj = 0 8 -6 0 0.5746441E-13 1 0.1000829E-06 2 0.7731229E-06 3 0.1757792E-04 4 0.1156505E-04 5 0.1030536E-05 6 0.3641605E-07 7 0.3503712E-08 8 0.8547442E-09 9 0.0000000E+00 v, j, mj = 0 8 -5 0 0.9578998E-06 1 0.1704853E-05 2 0.4468022E-04 3 0.1840698E-03 4 0.3485935E-04 5 0.1155491E-05 6 0.1997511E-07 7 0.6186531E-08 8 0.2969031E-09 9 0.0000000E+00 v, j, mj = 0 8 -4 0 0.2870137E-12 1 0.3189688E-05 2 0.6826424E-03 3 0.6652259E-03 4 0.3791128E-05 5 0.4001321E-06 6 0.4833966E-07 7 0.2450511E-08 8 0.7851125E-09 9 0.0000000E+00 v, j, mj = 0 8 -3 0 0.1433752E-10 1 0.7247025E-03 2 0.3409333E-02 3 0.1308487E-03 4 0.2702318E-04 5 0.5830884E-06 6 0.3466621E-07 7 0.5386352E-08 8 0.1486741E-08 9 0.0000000E+00 v, j, mj = 0 8 -2 0 0.5368904E-06 1 0.6339515E-03 2 0.1323928E-02 3 0.3709293E-03 4 0.3011948E-04 5 0.5041207E-06 6 0.1561350E-07 7 0.2020313E-08 8 0.8344817E-09 9 0.0000000E+00 v, j, mj = 0 8 -1 0 0.1653121E-09 1 0.7062870E-01 2 0.1085384E-01 3 0.8502097E-03 4 0.6344758E-04 5 0.3197411E-06 6 0.5241321E-07 7 0.1890557E-07 8 0.2126107E-08 9 0.0000000E+00 v, j, mj = 0 8 0 0 0.2753287E-12 1 0.1004953E-01 2 0.4440915E-02 3 0.4095175E-03 4 0.4979999E-04 5 0.1429751E-05 6 0.2680834E-07 7 0.3994314E-08 8 0.7707885E-09 9 0.0000000E+00 v, j, mj = 0 8 1 0 0.2881184E+00 1 0.9424785E-01 2 0.4148330E-02 3 0.1664808E-02 4 0.5008512E-04 5 0.3941182E-05 6 0.2591251E-07 7 0.3983907E-08 8 0.4913896E-09 9 0.0000000E+00 v, j, mj = 0 8 2 0 0.1770403E-12 1 0.7155955E-01 2 0.2854003E-01 3 0.5447488E-03 4 0.2603222E-03 5 0.4187033E-05 6 0.1434506E-06 7 0.8610187E-08 8 0.2460447E-08 9 0.0000000E+00 v, j, mj = 0 8 3 0 0.1898762E-09 1 0.5634711E-01 2 0.2820056E-02 3 0.4983151E-02 4 0.6655568E-04 5 0.1330939E-04 6 0.2624437E-06 7 0.5513439E-08 8 0.9211052E-09 9 0.0000000E+00 v, j, mj = 0 8 4 0 0.1058719E-04 1 0.1240990E-01 2 0.2983874E-01 3 0.1459784E-03 4 0.4592815E-03 5 0.2194298E-04 6 0.5249806E-06 7 0.1255301E-07 8 0.2299180E-08 9 0.0000000E+00 v, j, mj = 0 8 5 0 0.4313176E-10 1 0.2759502E-03 2 0.1245574E-01 3 0.5018229E-02 4 0.2102226E-03 5 0.3776060E-04 6 0.1398966E-05 7 0.1928888E-07 8 0.7184597E-09 9 0.0000000E+00 v, j, mj = 0 8 6 0 0.1421906E-11 1 0.3195087E-04 2 0.1872261E-02 3 0.3268661E-02 4 0.6800758E-03 5 0.6517924E-04 6 0.2030341E-05 7 0.6941441E-07 8 0.2077220E-08 9 0.0000000E+00 v, j, mj = 0 8 7 0 0.3011043E-05 1 0.4080715E-05 2 0.1230330E-03 3 0.9190712E-03 4 0.5388076E-03 5 0.9081820E-04 6 0.3546079E-05 7 0.6273809E-07 8 0.4327993E-08 9 0.0000000E+00 v, j, mj = 0 8 8 0 0.3723664E-12 1 0.2570515E-06 2 0.7720023E-05 3 0.1380486E-03 4 0.1964493E-03 5 0.4923952E-04 6 0.2316929E-05 7 0.2028008E-07 8 0.4121078E-08 9 0.0000000E+00 v, j, mj = 0 10 -10 0 0.1432477E-15 1 0.7683521E-11 2 0.2105856E-09 3 0.1619349E-09 4 0.4942330E-10 5 0.9547813E-10 6 0.3370608E-10 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 -9 0 0.2702423E-15 1 0.7003294E-10 2 0.5128006E-09 3 0.2581033E-09 4 0.2028061E-09 5 0.4572438E-10 6 0.2373125E-10 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 -8 0 0.1323232E-10 1 0.2250755E-08 2 0.9877187E-09 3 0.2551284E-09 4 0.5174368E-09 5 0.7712346E-10 6 0.3946646E-10 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 -7 0 0.1455186E-14 1 0.3815542E-08 2 0.1882013E-08 3 0.2548400E-08 4 0.3519585E-09 5 0.1416292E-09 6 0.4250513E-10 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 -6 0 0.1327636E-14 1 0.1129026E-07 2 0.1417598E-07 3 0.2728153E-08 4 0.6299247E-09 5 0.1731358E-09 6 0.8110828E-10 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 -5 0 0.2097217E-06 1 0.5617051E-07 2 0.4316455E-07 3 0.2216880E-07 4 0.4074571E-08 5 0.5671045E-09 6 0.2375514E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 -4 0 0.1535567E-15 1 0.2746118E-08 2 0.2600576E-06 3 0.9724742E-07 4 0.4798243E-08 5 0.1562211E-08 6 0.4092250E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 -3 0 0.2500625E-13 1 0.1200597E-05 2 0.8497996E-06 3 0.1545132E-06 4 0.2823320E-07 5 0.3217755E-08 6 0.6159632E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 -2 0 0.5167189E-07 1 0.8049982E-05 2 0.1507141E-04 3 0.1586353E-06 4 0.5273115E-07 5 0.1517628E-07 6 0.3307007E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 -1 0 0.2341926E-12 1 0.1263602E-03 2 0.4617416E-04 3 0.3472093E-06 4 0.5424844E-07 5 0.1064313E-07 6 0.6249649E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 0 0 0.2235581E-15 1 0.2628550E-03 2 0.2804124E-04 3 0.1886921E-06 4 0.8892317E-07 5 0.3128184E-07 6 0.1217249E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 1 0 0.3682152E-02 1 0.2125243E-02 2 0.4648065E-04 3 0.1366561E-05 4 0.9003723E-07 5 0.1680004E-07 6 0.2757260E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 2 0 0.1396639E-14 1 0.1442043E-02 2 0.5410084E-04 3 0.2759767E-05 4 0.9370079E-07 5 0.7645928E-07 6 0.4563650E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 3 0 0.4058489E-12 1 0.1043694E-04 2 0.2115118E-04 3 0.1224173E-05 4 0.2129318E-07 5 0.9238188E-08 6 0.1752173E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 4 0 0.2320628E-07 1 0.8577761E-05 2 0.1971368E-04 3 0.2025993E-05 4 0.4385707E-07 5 0.9755823E-08 6 0.3390793E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 5 0 0.8648899E-13 1 0.9985377E-06 2 0.4008899E-05 3 0.8074272E-06 4 0.9824227E-08 5 0.4019085E-08 6 0.9601899E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 6 0 0.3896144E-14 1 0.1393569E-06 2 0.2624199E-06 3 0.3212394E-06 4 0.1563716E-07 5 0.3937042E-08 6 0.9623547E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 7 0 0.1241266E-06 1 0.1676490E-07 2 0.2388586E-07 3 0.4368243E-07 4 0.4924797E-08 5 0.2888669E-08 6 0.5010873E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 8 0 0.1239435E-14 1 0.1341932E-06 2 0.4935145E-07 3 0.2533047E-07 4 0.5132277E-08 5 0.1193466E-08 6 0.4053368E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 9 0 0.1005235E-13 1 0.3873398E-07 2 0.5579663E-07 3 0.2662912E-07 4 0.4107554E-08 5 0.3021946E-08 6 0.2673565E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 10 0 0.1176331E-08 1 0.4122454E-08 2 0.1264344E-07 3 0.7266750E-08 4 0.6217501E-08 5 0.1855701E-08 6 0.3512357E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 0 0 0 0.4620834E-12 1 0.8637187E-04 2 0.4496605E-03 3 0.4288080E-04 4 0.1315673E-05 5 0.2672714E-05 6 0.1568209E-05 7 0.3562466E-07 8 0.9555729E-09 9 0.0000000E+00 v, j, mj = 1 2 -2 0 0.3898600E-07 1 0.3095704E-04 2 0.1431955E-03 3 0.3462232E-04 4 0.1007743E-04 5 0.1232669E-05 6 0.5746634E-07 7 0.1118248E-08 8 0.2009539E-09 9 0.0000000E+00 v, j, mj = 1 2 -1 0 0.4698825E-11 1 0.8300096E-03 2 0.8212687E-03 3 0.7319622E-04 4 0.2400655E-04 5 0.2050540E-05 6 0.2704449E-07 7 0.8202381E-09 8 0.3183373E-09 9 0.0000000E+00 v, j, mj = 1 2 0 0 0.4305262E-12 1 0.3317086E-03 2 0.8069220E-03 3 0.1049281E-03 4 0.1363887E-04 5 0.6417842E-05 6 0.1006942E-05 7 0.1905243E-07 8 0.3647427E-09 9 0.0000000E+00 v, j, mj = 1 2 1 0 0.8131018E-04 1 0.4242037E-04 2 0.4109525E-03 3 0.1136502E-03 4 0.5855165E-04 5 0.1841422E-05 6 0.7386877E-07 7 0.1186535E-08 8 0.2345288E-09 9 0.0000000E+00 v, j, mj = 1 2 2 0 0.3483802E-12 1 0.1851338E-03 2 0.1460170E-04 3 0.3145989E-04 4 0.2098390E-04 5 0.3562667E-04 6 0.3183418E-05 7 0.2502246E-07 8 0.2880956E-09 9 0.0000000E+00 v, j, mj = 1 4 -4 0 0.1526006E-12 1 0.1757815E-05 2 0.9562627E-04 3 0.2143146E-03 4 0.7290418E-04 5 0.3588492E-05 6 0.1593793E-07 7 0.5503661E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 -3 0 0.2171640E-12 1 0.1305139E-04 2 0.1987213E-03 3 0.5060513E-04 4 0.6502918E-05 5 0.2946505E-06 6 0.1946049E-08 7 0.4144012E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 -2 0 0.1077607E-06 1 0.2120584E-03 2 0.8646045E-03 3 0.7131906E-04 4 0.3055272E-06 5 0.2767011E-07 6 0.1260666E-08 7 0.8793365E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 -1 0 0.7479802E-12 1 0.3232140E-03 2 0.2861574E-03 3 0.2092762E-03 4 0.3684786E-05 5 0.1934428E-06 6 0.1074315E-07 7 0.9733666E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 0 0 0.6097299E-13 1 0.3813953E-03 2 0.6729242E-03 3 0.1871426E-03 4 0.8091703E-05 5 0.6179329E-06 6 0.2142446E-07 7 0.9811655E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 1 0 0.7596097E-03 1 0.4498847E-03 2 0.7673292E-03 3 0.1289762E-03 4 0.1970718E-05 5 0.6775649E-07 6 0.1318427E-07 7 0.3523634E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 2 0 0.1103626E-12 1 0.9934270E-03 2 0.2086011E-03 3 0.1424271E-03 4 0.6866455E-05 5 0.1325894E-05 6 0.3339366E-07 7 0.1160476E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 3 0 0.1740511E-11 1 0.7905768E-03 2 0.2087471E-02 3 0.3768766E-03 4 0.5063807E-05 5 0.4690869E-07 6 0.3952789E-08 7 0.7696554E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 4 0 0.1693294E-06 1 0.1595989E-03 2 0.1309812E-02 3 0.7617367E-03 4 0.3144387E-03 5 0.2161000E-04 6 0.1343560E-06 7 0.1212757E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 6 -6 0 0.1470624E-13 1 0.1565846E-08 2 0.3911826E-08 3 0.7018471E-08 4 0.6377795E-09 5 0.5459164E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 6 -5 0 0.1924723E-09 1 0.7823709E-08 2 0.7654227E-08 3 0.2134257E-08 4 0.9900005E-09 5 0.4247775E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 6 -4 0 0.4210583E-14 1 0.2046791E-07 2 0.1210106E-06 3 0.1747020E-06 4 0.2064808E-07 5 0.9054362E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 6 -3 0 0.1081770E-13 1 0.3662288E-07 2 0.1336269E-05 3 0.4865821E-06 4 0.1864950E-07 5 0.3119491E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 6 -2 0 0.3083874E-08 1 0.1124151E-05 2 0.7211951E-05 3 0.1134965E-05 4 0.1841601E-07 5 0.1590748E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 6 -1 0 0.1574034E-13 1 0.9540356E-05 2 0.2935276E-05 3 0.1070147E-05 4 0.6775198E-07 5 0.6783459E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 6 0 0 0.3506957E-14 1 0.1946354E-04 2 0.5108174E-05 3 0.1680644E-05 4 0.5654984E-07 5 0.6408008E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 6 1 0 0.2922020E-03 1 0.1125079E-03 2 0.1854557E-04 3 0.2570983E-05 4 0.2068288E-07 5 0.5310732E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 6 2 0 0.1010352E-15 1 0.2334644E-03 2 0.3413043E-04 3 0.1305153E-05 4 0.8716961E-07 5 0.1810797E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 6 3 0 0.5866472E-13 1 0.6843574E-04 2 0.9041756E-04 3 0.8215313E-05 4 0.5366452E-07 5 0.2080777E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 6 4 0 0.7966669E-10 1 0.4893869E-05 2 0.2185588E-04 3 0.3028138E-05 4 0.9782304E-07 5 0.2013132E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 6 5 0 0.1282262E-13 1 0.1064309E-07 2 0.8204502E-06 3 0.3659037E-06 4 0.3182864E-07 5 0.2179825E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 6 6 0 0.1184317E-13 1 0.5189314E-08 2 0.1191578E-06 3 0.6860036E-07 4 0.1252780E-07 5 0.4000772E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 8 -8 0 0.2883276E-12 1 0.1332397E-12 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 8 -7 0 0.1651465E-16 1 0.8393586E-12 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 8 -6 0 0.6995673E-19 1 0.1322920E-11 2 0.0000000E+00 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 8 -5 0 0.1215605E-11 1 0.1005046E-11 2 0.0000000E+00 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 8 -4 0 0.3905312E-18 1 0.3390320E-12 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 8 -3 0 0.6402792E-18 1 0.4618505E-11 2 0.0000000E+00 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 8 -2 0 0.7221716E-11 1 0.3132330E-11 2 0.0000000E+00 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 8 -1 0 0.2333115E-17 1 0.8967689E-11 2 0.0000000E+00 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 8 0 0 0.9275999E-19 1 0.2017469E-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 8 1 0 0.4797634E-08 1 0.3457844E-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 8 2 0 0.2213633E-18 1 0.6977888E-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 8 3 0 0.1565254E-17 1 0.1387639E-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 8 4 0 0.2020465E-10 1 0.9257240E-11 2 0.0000000E+00 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 8 5 0 0.6193956E-17 1 0.1025550E-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 8 6 0 0.6006524E-17 1 0.3998801E-11 2 0.0000000E+00 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 8 7 0 0.2681744E-10 1 0.5245165E-11 2 0.0000000E+00 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 8 8 0 0.8297251E-17 1 0.1141574E-11 2 0.0000000E+00 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 sum of the probabilities = 1.0037573 average vibrational energy (ev) = 0.009608 average rotational energy (ev) = 0.424571 average diffraction energy (ev) = 0.015983 the reaction probability = -0.3757329D-02 etrans(icomin)= 0.151114 etrans(icomax)= 0.548327 etrans= 0.550000 CPU TIMES Total computation 198341.1406 (a) ... Propagating the wavefunction 195095.0685 (b) Setup time 2861.4625 Saving the wave function for rerun 88.8359 Calculating averages 8.0788 Calculating and saving BK-coeffs 21.4142 Asymptotic analysis 9.6872 Saving the flux coefficients 0.0000 Flux analysis 0.0000 ----------------------------------------------------- Sum 198084.5470 (a) ... FFTs along X and Y 8479.2121 Kinetic energy operation along Z 54163.5050 Kinetic energy operation along r 42060.0828 Potential energy multiplication 21651.9886 Legengre transforms 55147.4094 Shifting the wavefunction 5266.4400 Kinetic energy multiplications (xy) 1056.0878 Absorbing the wavefunction 1254.2135 Projection formalism 27.7327 Operations on specular grid 0.2072 ----------------------------------------------------- Sum 189106.8791 (b) ... Potential initialisation time 0.0001 Potential setup time 2796.2425 FFTs along X 4755.5636 FFTs along Y 3723.6485 Time spent on FGH for asympwf 0.5078 Ending date and time: Tue Aug 13 07:50:32 CEST 2019