Starting date and time: Sun Aug 11 16:17:42 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 161742.245 *** * 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: v0j8mj3-0.15eV-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: 3 * Initial rotational quantum number V: 0 * Only computing the potential: F * Imposing a minimum value on the potential: F * Imposing a maximum value on the potential: T * Maximum value imposed on the potential: 0.10000000E+02 * Using symmetry in setting up the potential: F * Potential mixing alfa value: 0.00000000E+00 * Using a quadratic optical potential on the scattering grid in Z: * Optical potential in Z start at (bohr): 0.15200000E+02 * Optical potential in Z ends at (bohr): 0.18700000E+02 * Optical potential in Z absorbs optimally for (eV): 0.10000000E+00 * Using a quadratic optical potential on the scattering grid in r: * Optical potential in r start at (bohr): 0.45500000E+01 * Optical potential in r ends at (bohr): 0.90500000E+01 * Optical potential in r absorbs optimally for (eV): 0.10000000E+00 * Using a quadratic optical potential on the specular grid in Z: * Optical potential in Z start at (bohr): 0.19800000E+02 * Optical potential in Z ends at (bohr): 0.24100000E+02 * Optical potential in Z specular absorbs optimally for (eV 0.80000000E-01 * Initial energy parallel to the surface (eV): 0.00000000E+00 * Azimuthal angle of the incident molecule (degrees): 0.00000000E+00 * Using a switching function for the potential in Z: F * Switching function starts at (bohr): 0.65000000E+01 * Switching function ends at (bohr): 0.70000000E+01 * S-matrix elements written to file 3: T * Rot-vib-diff resolved probs written to file 25: T * Rot-diff resolved probs written to file 10: T * Dumping debug information to file: F * Dumping full S-matrix to file fil10: F * Tolerance for transferring the wavefunction (nproj = 2): 0.10000000E-08 * Validating the input... * Processing the input... *** THE INPUT FOR ROTATIONAL DEGREES OF FREEDOM *** * J in: 8 * Mj in: 3 * 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 = 3 ... *** CONTINUING SETUP II *** * Setting up the angular DVR/FBR transform module and the transformation matric es ... *** SETUP DONE *** ******************************************************************************** INFO FROM MISCELLANEOUS SETUP ******************************************************************************** grid interval size in kz dir. (scat. grid) = 0.317333 grid interval size in kz dir. (spec. grid) = 0.249333 initial momentum in z direction = 9.275865 grid interval size in kr dir. = 0.747998 grid interval size in kx dir. = 1.491644 initial momentum in reciprocal x direction = 0.000000 grid interval size in ky dir. = 1.491644 initial momentum in reciprocal y direction = 0.000000 For backward compatibility: nmoder = 4 asymptotic analysis at z = 15.200000 No flux analysis performed. nzpot = 162 optical potential in z scat.grid: nzchsp = 163 z(nzchsp)= 15.200000 optical potential in z scat.grid: nzchmx = 198 z(nzchmx)= 18.700000 optical potential in z spec.grid: nschsp = 209 z(nschsp)= 19.800000 optical potential in z spec.grid: nschmx = 252 z(nschmx)= 24.100000 optical potential in r scat.grid: nrchsp = 26 r(nrchsp)= 4.550000 optical potential in r scat.grid: nrchmx = 56 r(nrchmx)= 9.050000 max kinetic energy in r (ev) = 6.497306 with current time interval in the analysis the max total energy for which results can be obtained (eV) = 1.709743 zero of etot is energy lowest h2 state the 95% confidence interval defined by alfwv and enrgy: ectmin (ev) = 0.150000 ectmax (ev) = 0.550000 Total time for potential initialisation = 0.25033951E-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 = 82 iz = 83 iz = 84 iz = 85 iz = 86 iz = 87 iz = 88 iz = 89 iz = 90 iz = 91 iz = 92 iz = 93 iz = 94 iz = 95 iz = 96 iz = 97 iz = 98 iz = 99 iz = 100 iz = 101 iz = 102 iz = 103 iz = 104 iz = 105 iz = 106 iz = 107 iz = 108 iz = 109 iz = 110 iz = 111 iz = 112 iz = 113 iz = 114 iz = 115 iz = 116 iz = 117 iz = 118 iz = 119 iz = 120 iz = 121 iz = 122 iz = 123 iz = 124 iz = 125 iz = 126 iz = 127 iz = 128 iz = 129 iz = 130 iz = 131 iz = 132 iz = 133 iz = 134 iz = 135 iz = 136 iz = 137 iz = 138 iz = 139 iz = 140 iz = 141 iz = 142 iz = 144 iz = 145 iz = 148 iz = 149 iz = 152 iz = 153 iz = 156 iz = 157 iz = 146 iz = 160 iz = 161 iz = 150 iz = 143 iz = 154 iz = 158 iz = 162 iz = 147 iz = 151 iz = 155 iz = 159 Saving Cu111_B86SRP68-DF2_Z8A_C3v PES into file : ./Cu111_B86SRP68-DF2_Z8A_C3v_162_-1.000_0.100_56_0.800_0.150_20_20_4.864_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 = 0.26126498E+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 = 324 ******************************************************************************** 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 = 17074 ******************************************************************************** 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 13.73855598 1.53575550 0.11939073E-01 0.15000000E+04 0.99999975 13.61215536 1.53576532 0.84968641E-02 0.15500000E+04 0.99999975 13.48573058 1.53577674 0.60728911E-02 0.16000000E+04 0.99999974 13.35927922 1.53577921 0.43625372E-02 0.16500000E+04 0.99999973 13.23279848 1.53578293 0.31518931E-02 0.17000000E+04 0.99999972 13.10628521 1.53579078 0.22914455E-02 0.17500000E+04 0.99999971 12.97973580 1.53579859 0.16769331E-02 0.18000000E+04 0.99999970 12.85314626 1.53581199 0.12356814E-02 0.18500000E+04 0.99999970 12.72651221 1.53583606 0.91698057E-03 0.19000000E+04 0.99999969 12.59982888 1.53586617 0.68536713E-03 0.19500000E+04 0.99999968 12.47309123 1.53589029 0.51596038E-03 0.20000000E+04 0.99999967 12.34629390 1.53591295 0.39123505E-03 0.20500000E+04 0.99999966 12.21943134 1.53594359 0.29879176E-03 0.21000000E+04 0.99999965 12.09249782 1.53597514 0.22981310E-03 0.21500000E+04 0.99999965 11.96548747 1.53601144 0.17799623E-03 0.22000000E+04 0.99999964 11.83839430 1.53605711 0.13881063E-03 0.22500000E+04 0.99999963 11.71121227 1.53610990 0.10898069E-03 0.23000000E+04 0.99999962 11.58393523 1.53615774 0.86124827E-04 0.23500000E+04 0.99999961 11.45655700 1.53619998 0.68500056E-04 0.24000000E+04 0.99999961 11.32907132 1.53624859 0.54823568E-04 0.24500000E+04 0.99999960 11.20147193 1.53630029 0.44145390E-04 0.25000000E+04 0.99999959 11.07375248 1.53635241 0.35757805E-04 0.25500000E+04 0.99999958 10.94590664 1.53641326 0.29130480E-04 0.26000000E+04 0.99999957 10.81792809 1.53647984 0.23863729E-04 0.26500000E+04 0.99999956 10.68981057 1.53654371 0.19654393E-04 0.27000000E+04 0.99999956 10.56154793 1.53659942 0.16272165E-04 0.27500000E+04 0.99999955 10.43313421 1.53665870 0.13539918E-04 0.28000000E+04 0.99999954 10.30456377 1.53672482 0.11321403E-04 0.28500000E+04 0.99999953 10.17583136 1.53679041 0.95110720E-05 0.29000000E+04 0.99999952 10.04693232 1.53686341 0.80267184E-05 0.29500000E+04 0.99999952 9.91786271 1.53694463 0.68037672E-05 0.30000000E+04 0.99999951 9.78861954 1.53702569 0.57920378E-05 0.30500000E+04 0.99999950 9.65920102 1.53710110 0.49512476E-05 0.31000000E+04 0.99999949 9.52960678 1.53717934 0.42495494E-05 0.31500000E+04 0.99999948 9.39983823 1.53726981 0.36615029E-05 0.32000000E+04 0.99999947 9.26989884 1.53736655 0.31667133E-05 0.32500000E+04 0.99999947 9.13979456 1.53747234 0.27487707E-05 0.33000000E+04 0.99999946 9.00953420 1.53759559 0.23944055E-05 0.33500000E+04 0.99999945 8.87912986 1.53772851 0.20928280E-05 0.34000000E+04 0.99999944 8.74859743 1.53786821 0.18352282E-05 0.34500000E+04 0.99999943 8.61795709 1.53802114 0.16144061E-05 0.35000000E+04 0.99999942 8.48723382 1.53820288 0.14244782E-05 0.35500000E+04 0.99999941 8.35645800 1.53841359 0.12603848E-05 0.36000000E+04 0.99999941 8.22566593 1.53865414 0.11186059E-05 0.36500000E+04 0.99999940 8.09490049 1.53893802 0.99553408E-06 0.37000000E+04 0.99999939 7.96421167 1.53926636 0.88834476E-06 0.37500000E+04 0.99999938 7.83365723 1.53963682 0.79468688E-06 0.38000000E+04 0.99999937 7.70330323 1.54006040 0.71262773E-06 0.38500000E+04 0.99999936 7.57322462 1.54055455 0.64057423E-06 0.39000000E+04 0.99999935 7.44350576 1.54113094 0.57718380E-06 0.39500000E+04 0.99999933 7.31424087 1.54178957 0.52109113E-06 0.40000000E+04 0.99999931 7.18553440 1.54254410 0.47170242E-06 0.40500000E+04 0.99999928 7.05750138 1.54340415 0.42792887E-06 0.41000000E+04 0.99999924 6.93026759 1.54436555 0.38901652E-06 0.41500000E+04 0.99999917 6.80396966 1.54543535 0.35431953E-06 0.42000000E+04 0.99999906 6.67875504 1.54662623 0.32329437E-06 0.42500000E+04 0.99999889 6.55478177 1.54794640 0.29549992E-06 0.43000000E+04 0.99999864 6.43221817 1.54939004 0.27058577E-06 0.43500000E+04 0.99999825 6.31124232 1.55095248 0.24806612E-06 0.44000000E+04 0.99999769 6.19204142 1.55263351 0.22805902E-06 0.44500000E+04 0.99999688 6.07481098 1.55441708 0.21008192E-06 0.45000000E+04 0.99999572 5.95975387 1.55628636 0.19386532E-06 0.45500000E+04 0.99999412 5.84707923 1.55823500 0.17917625E-06 0.46000000E+04 0.99999193 5.73700119 1.56025121 0.16583010E-06 0.46500000E+04 0.99998899 5.62973756 1.56231465 0.15367972E-06 0.47000000E+04 0.99998513 5.52550825 1.56439894 0.14259839E-06 0.47500000E+04 0.99998013 5.42453378 1.56648549 0.13247472E-06 0.48000000E+04 0.99997378 5.32703353 1.56855014 0.12322101E-06 0.48500000E+04 0.99996584 5.23322410 1.57056355 0.11477830E-06 0.49000000E+04 0.99995605 5.14331752 1.57250702 0.10710299E-06 0.49500000E+04 0.99994419 5.05751952 1.57436573 0.99936582E-07 0.50000000E+04 0.99993003 4.97602782 1.57611975 0.93616196E-07 0.50500000E+04 0.99991336 4.89903047 1.57774700 0.87836250E-07 0.51000000E+04 0.99989402 4.82670439 1.57922960 0.82499464E-07 0.51500000E+04 0.99987190 4.75921396 1.58055402 0.77532554E-07 0.52000000E+04 0.99984692 4.69670993 1.58170224 0.72893767E-07 0.52500000E+04 0.99981910 4.63932844 1.58266268 0.68561999E-07 0.53000000E+04 0.99978850 4.58719024 1.58343181 0.64524046E-07 0.53500000E+04 0.99975525 4.54040019 1.58400583 0.60767053E-07 0.54000000E+04 0.99971954 4.49904681 1.58438126 0.57277169E-07 0.54500000E+04 0.99968161 4.46320202 1.58455872 0.54048052E-07 0.55000000E+04 0.99964174 4.43292098 1.58454525 0.51066156E-07 0.55500000E+04 0.99960026 4.40824201 1.58434866 0.48127374E-07 0.56000000E+04 0.99955749 4.38918669 1.58397840 0.45599622E-07 0.56500000E+04 0.99951379 4.37575997 1.58345012 0.43242061E-07 0.57000000E+04 0.99946949 4.36795047 1.58277913 0.41033397E-07 0.57500000E+04 0.99942492 4.36573093 1.58197669 0.38985081E-07 0.58000000E+04 0.99938040 4.36905882 1.58105200 0.37038225E-07 0.58500000E+04 0.99933621 4.37787718 1.58001393 0.35201296E-07 0.59000000E+04 0.99929264 4.39211547 1.57887153 0.33583804E-07 0.59500000E+04 0.99924993 4.41169070 1.57763431 0.32056170E-07 0.60000000E+04 0.99920831 4.43650843 1.57631773 0.30524211E-07 0.60500000E+04 0.99916801 4.46646386 1.57494154 0.29197178E-07 0.61000000E+04 0.99912922 4.50144284 1.57352432 0.27943304E-07 0.61500000E+04 0.99909215 4.54132289 1.57208148 0.26542054E-07 0.62000000E+04 0.99905694 4.58597413 1.57062362 0.25338756E-07 0.62500000E+04 0.99902376 4.63526024 1.56915546 0.24228184E-07 0.63000000E+04 0.99899272 4.68903938 1.56767771 0.23093380E-07 0.63500000E+04 0.99896391 4.74716500 1.56619327 0.21861935E-07 0.64000000E+04 0.99893736 4.80948665 1.56471248 0.20885709E-07 0.64500000E+04 0.99891308 4.87585064 1.56325064 0.20380291E-07 0.65000000E+04 0.99889105 4.94610076 1.56182349 0.19924280E-07 0.65500000E+04 0.99887119 5.02007906 1.56044159 0.18506657E-07 0.66000000E+04 0.99885339 5.09762666 1.55910572 0.17233550E-07 0.66500000E+04 0.99883752 5.17858460 1.55780780 0.18649427E-07 0.67000000E+04 0.99882343 5.26279468 1.55653844 0.20579531E-07 0.67500000E+04 0.99881093 5.35010015 1.55529675 0.19028649E-07 0.68000000E+04 0.99879984 5.44034621 1.55409357 0.18898339E-07 0.68500000E+04 0.99878994 5.53338034 1.55294660 0.28153078E-07 0.69000000E+04 0.99878101 5.62905251 1.55187083 0.41639438E-07 ==> ZAnalysis on specular channel fixed at Z = 0.16800000E+02 0.69500000E+04 0.99877279 5.72721544 1.55086873 0.49367402E-07 0.70000000E+04 0.99876501 5.82772477 1.54992707 0.60185499E-07 0.70500000E+04 0.99875731 5.93043936 1.54902384 0.92908656E-07 0.71000000E+04 0.99874931 6.03522144 1.54814203 0.14505682E-06 0.71500000E+04 0.99874049 6.14193677 1.54728035 0.19721703E-06 0.72000000E+04 0.99873021 6.25045456 1.54645323 0.24991599E-06 0.72500000E+04 0.99871769 6.36064727 1.54568109 0.33062967E-06 0.73000000E+04 0.99870191 6.47239040 1.54497651 0.45562418E-06 0.73500000E+04 0.99868164 6.58556215 1.54433490 0.60604739E-06 0.74000000E+04 0.99865535 6.70004317 1.54373687 0.75629785E-06 0.74500000E+04 0.99862121 6.81571636 1.54316103 0.91354172E-06 0.75000000E+04 0.99857706 6.93246670 1.54259813 0.11112703E-05 0.75500000E+04 0.99852038 7.05018117 1.54205563 0.13653314E-05 0.76000000E+04 0.99844828 7.16874869 1.54155056 0.16520363E-05 0.76500000E+04 0.99835750 7.28806017 1.54109601 0.19369928E-05 0.77000000E+04 0.99824443 7.40800861 1.54069039 0.22200943E-05 0.77500000E+04 0.99810508 7.52848929 1.54031705 0.25457201E-05 0.78000000E+04 0.99793514 7.64939993 1.53995548 0.29724858E-05 0.78500000E+04 0.99773000 7.77064101 1.53959589 0.35423825E-05 0.79000000E+04 0.99748475 7.89211587 1.53924585 0.42862106E-05 0.79500000E+04 0.99719424 8.01373104 1.53892394 0.52666724E-05 0.80000000E+04 0.99685311 8.13539638 1.53864571 0.66326447E-05 0.80500000E+04 0.99645584 8.25702544 1.53841163 0.86622077E-05 0.81000000E+04 0.99599681 8.37853576 1.53820544 0.11777125E-04 0.81500000E+04 0.99547035 8.49984935 1.53800466 0.16524301E-04 0.82000000E+04 0.99487085 8.62089315 1.53779626 0.23560184E-04 0.82500000E+04 0.99419281 8.74159942 1.53758558 0.33701859E-04 0.83000000E+04 0.99343089 8.86190614 1.53739142 0.48070539E-04 0.83500000E+04 0.99258000 8.98175711 1.53723165 0.68267184E-04 0.84000000E+04 0.99163528 9.10110187 1.53710990 0.96452816E-04 0.84500000E+04 0.99059207 9.21989529 1.53701244 0.13525608E-03 0.85000000E+04 0.98944587 9.33809693 1.53691753 0.18759564E-03 0.85500000E+04 0.98819224 9.45567019 1.53681087 0.25659844E-03 0.86000000E+04 0.98682670 9.57258134 1.53669587 0.34568709E-03 0.86500000E+04 0.98534460 9.68879861 1.53659016 0.45871488E-03 0.87000000E+04 0.98374108 9.80429144 1.53651139 0.59991440E-03 0.87500000E+04 0.98201096 9.91902995 1.53646353 0.77356021E-03 0.88000000E+04 0.98014876 10.03298465 1.53643335 0.98354544E-03 0.88500000E+04 0.97814866 10.14612632 1.53639943 0.12331868E-02 0.89000000E+04 0.97600450 10.25842600 1.53634769 0.15253977E-02 0.89500000E+04 0.97370981 10.36985484 1.53628219 0.18631217E-02 0.90000000E+04 0.97125773 10.48038400 1.53622234 0.22497385E-02 0.90500000E+04 0.96864097 10.58998424 1.53618816 0.26891646E-02 0.91000000E+04 0.96585176 10.69862552 1.53618515 0.31856968E-02 0.91500000E+04 0.96288174 10.80627655 1.53619984 0.37438379E-02 0.92000000E+04 0.95972201 10.91290460 1.53620864 0.43683288E-02 0.92500000E+04 0.95636306 11.01847551 1.53619398 0.50644742E-02 0.93000000E+04 0.95279496 11.12295404 1.53615674 0.58385712E-02 0.93500000E+04 0.94900744 11.22630469 1.53611532 0.66981117E-02 0.94000000E+04 0.94499020 11.32849273 1.53609174 0.76516082E-02 0.94500000E+04 0.94073311 11.42948549 1.53609546 0.87079951E-02 0.95000000E+04 0.93622657 11.52925374 1.53611731 0.98755628E-02 0.95500000E+04 0.93146183 11.62777311 1.53613683 0.11160632E-01 0.96000000E+04 0.92643129 11.72502546 1.53613747 0.12566206E-01 0.96500000E+04 0.92112884 11.82100012 1.53611881 0.14090840E-01 0.97000000E+04 0.91555017 11.91569503 1.53609672 0.15727965E-01 0.97500000E+04 0.90969299 12.00911759 1.53609050 0.17465701E-01 0.98000000E+04 0.90355727 12.10128522 1.53610710 0.19287030E-01 0.98500000E+04 0.89714520 12.19222539 1.53613532 0.21170385E-01 0.99000000E+04 0.89046124 12.28197517 1.53615393 0.23090767E-01 0.99500000E+04 0.88351178 12.37058004 1.53614750 0.25021339E-01 0.10000000E+05 0.87630482 12.45809213 1.53611868 0.26935546E-01 0.10050000E+05 0.86884945 12.54456785 1.53608774 0.28809481E-01 0.10100000E+05 0.86115526 12.63006522 1.53607826 0.30623973E-01 0.10150000E+05 0.85323173 12.71464104 1.53609909 0.32366062E-01 0.10200000E+05 0.84508766 12.79834828 1.53613702 0.34029517E-01 0.10250000E+05 0.83673077 12.88123393 1.53616578 0.35614226E-01 0.10300000E+05 0.82816744 12.96333756 1.53616442 0.37124704E-01 0.10350000E+05 0.81940267 13.04469082 1.53613236 0.38568037E-01 0.10400000E+05 0.81044033 13.12531798 1.53609076 0.39951609E-01 0.10450000E+05 0.80128364 13.20523736 1.53606800 0.41281128E-01 0.10500000E+05 0.79193579 13.28446367 1.53607905 0.42559241E-01 0.10550000E+05 0.78240072 13.36301081 1.53611448 0.43784907E-01 0.10600000E+05 0.77268382 13.44089488 1.53614757 0.44953705E-01 0.10650000E+05 0.76279264 13.51813685 1.53615341 0.46058877E-01 0.10700000E+05 0.75273722 13.59476462 1.53612628 0.47092670E-01 0.10750000E+05 0.74253025 13.67081398 1.53608399 0.48047656E-01 0.10800000E+05 0.73218684 13.74632834 1.53605521 0.48917584E-01 0.10850000E+05 0.72172395 13.82135719 1.53605829 0.49697750E-01 0.10900000E+05 0.71115968 13.89595342 1.53608751 0.50385058E-01 0.10950000E+05 0.70051231 13.97016980 1.53611771 0.50977975E-01 0.11000000E+05 0.68979942 14.04405514 1.53612302 0.51476526E-01 0.11050000E+05 0.67903707 14.11765045 1.53609562 0.51882384E-01 0.11100000E+05 0.66823920 14.19098573 1.53605206 0.52198830E-01 0.11150000E+05 0.65741732 14.26407763 1.53602211 0.52430498E-01 0.11200000E+05 0.64658046 14.33692824 1.53602677 0.52582943E-01 0.11250000E+05 0.63573538 14.40952519 1.53606163 0.52662079E-01 0.11300000E+05 0.62488708 14.48184286 1.53609922 0.52673600E-01 0.11350000E+05 0.61403930 14.55384458 1.53610847 0.52622544E-01 0.11400000E+05 0.60319522 14.62548560 1.53607692 0.52513141E-01 0.11450000E+05 0.59235809 14.69671645 1.53602057 0.52349000E-01 0.11500000E+05 0.58153170 14.76748642 1.53597463 0.52133515E-01 0.11550000E+05 0.57072081 14.83774683 1.53596939 0.51870157E-01 0.11600000E+05 0.55993139 14.90745386 1.53600779 0.51562438E-01 0.11650000E+05 0.54917062 14.97657074 1.53606218 0.51213473E-01 0.11700000E+05 0.53844684 15.04506911 1.53609300 0.50825406E-01 0.11750000E+05 0.52776928 15.11292958 1.53607560 0.50399194E-01 0.11800000E+05 0.51714778 15.18014141 1.53601730 0.49935068E-01 0.11850000E+05 0.50659236 15.24670148 1.53595381 0.49433491E-01 0.11900000E+05 0.49611288 15.31261261 1.53592564 0.48896070E-01 0.11950000E+05 0.48571869 15.37788148 1.53594969 0.48325844E-01 0.12000000E+05 0.47541833 15.44251649 1.53600710 0.47726784E-01 0.12050000E+05 0.46521939 15.50652556 1.53605659 0.47102905E-01 0.12100000E+05 0.45512837 15.56991431 1.53606263 0.46457500E-01 0.12150000E+05 0.44515074 15.63268472 1.53601893 0.45792951E-01 0.12200000E+05 0.43529102 15.69483434 1.53595284 0.45111082E-01 0.12250000E+05 0.42555297 15.75635619 1.53590708 0.44413700E-01 0.12300000E+05 0.41593978 15.81723922 1.53590989 0.43702836E-01 0.12350000E+05 0.40645429 15.87746919 1.53595545 0.42980532E-01 0.12400000E+05 0.39709912 15.93703001 1.53600924 0.42248413E-01 0.12450000E+05 0.38787681 15.99590507 1.53603281 0.41507474E-01 0.12500000E+05 0.37878989 16.05407855 1.53600941 0.40758262E-01 0.12550000E+05 0.36984081 16.11153660 1.53595449 0.40001362E-01 0.12600000E+05 0.36103195 16.16826807 1.53590478 0.39237830E-01 0.12650000E+05 0.35236550 16.22426496 1.53589213 0.38469246E-01 0.12700000E+05 0.34384341 16.27952251 1.53592090 0.37697329E-01 0.12750000E+05 0.33546731 16.33403895 1.53596638 0.36923365E-01 0.12800000E+05 0.32723846 16.38781509 1.53599402 0.36147943E-01 0.12850000E+05 0.31915778 16.44085381 1.53598332 0.35371203E-01 0.12900000E+05 0.31122589 16.49315953 1.53594088 0.34593452E-01 0.12950000E+05 0.30344310 16.54473781 1.53589554 0.33815757E-01 0.13000000E+05 0.29580954 16.59559501 1.53587775 0.33040114E-01 0.13050000E+05 0.28832517 16.64573813 1.53589704 0.32269073E-01 0.13100000E+05 0.28098980 16.69517466 1.53593571 0.31505021E-01 0.13150000E+05 0.27380311 16.74391246 1.53596292 0.30749483E-01 0.13200000E+05 0.26676463 16.79195963 1.53595643 0.30002808E-01 0.13250000E+05 0.25987367 16.83932430 1.53591703 0.29264354E-01 0.13300000E+05 0.25312932 16.88601432 1.53586875 0.28533044E-01 0.13350000E+05 0.24653042 16.93203699 1.53584325 0.27808054E-01 0.13400000E+05 0.24007558 16.97739873 1.53585690 0.27089360E-01 0.13450000E+05 0.23376315 17.02210486 1.53589836 0.26377927E-01 0.13500000E+05 0.22759132 17.06615946 1.53593696 0.25675499E-01 0.13550000E+05 0.22155815 17.10956541 1.53594348 0.24984066E-01 0.13600000E+05 0.21566163 17.15232461 1.53590856 0.24305223E-01 0.13650000E+05 0.20989974 17.19443835 1.53584972 0.23639669E-01 0.13700000E+05 0.20427046 17.23590788 1.53580221 0.22987050E-01 0.13750000E+05 0.19877184 17.27673492 1.53579550 0.22346257E-01 0.13800000E+05 0.19340194 17.31692221 1.53583212 0.21716015E-01 0.13850000E+05 0.18815884 17.35647383 1.53588640 0.21095500E-01 0.13900000E+05 0.18304064 17.39539535 1.53592188 0.20484699E-01 0.13950000E+05 0.17804540 17.43369363 1.53591311 0.19884384E-01 0.14000000E+05 0.17317111 17.47137644 1.53586143 0.19295755E-01 0.14050000E+05 0.16841570 17.50845193 1.53579636 0.18719958E-01 0.14100000E+05 0.16377704 17.54492801 1.53575697 0.18157698E-01 0.14150000E+05 0.15925291 17.58081189 1.53576468 0.17609102E-01 0.14200000E+05 0.15484105 17.61610970 1.53581036 0.17073808E-01 0.14250000E+05 0.15053916 17.65082637 1.53586307 0.16551198E-01 0.14300000E+05 0.14634493 17.68496581 1.53588911 0.16040649E-01 0.14350000E+05 0.14225605 17.71853112 1.53587147 0.15541729E-01 0.14400000E+05 0.13827023 17.75152501 1.53582132 0.15054282E-01 0.14450000E+05 0.13438523 17.78395019 1.53577049 0.14578411E-01 0.14500000E+05 0.13059882 17.81580978 1.53574779 0.14114388E-01 0.14550000E+05 0.12690885 17.84710753 1.53576065 0.13662515E-01 0.14600000E+05 0.12331320 17.87784797 1.53579556 0.13222968E-01 0.14650000E+05 0.11980979 17.90803645 1.53582900 0.12795686E-01 0.14700000E+05 0.11639660 17.93767900 1.53584068 0.12380346E-01 0.14750000E+05 0.11307164 17.96678215 1.53582606 0.11976447E-01 0.14800000E+05 0.10983297 17.99535270 1.53579851 0.11583460E-01 0.14850000E+05 0.10667867 18.02339746 1.53577602 0.11200981E-01 0.14900000E+05 0.10360684 18.05092311 1.53576748 0.10828819E-01 0.14950000E+05 0.10061563 18.07793608 1.53577162 0.10466981E-01 0.15000000E+05 0.09770321 18.10444261 1.53578210 0.10115575E-01 0.15050000E+05 0.09486775 18.13044886 1.53579080 0.97746784E-02 0.15100000E+05 0.09210750 18.15596107 1.53579324 0.94442390E-02 0.15150000E+05 0.08942070 18.18098582 1.53579248 0.91240394E-02 0.15200000E+05 0.08680567 18.20553014 1.53579316 0.88137344E-02 0.15250000E+05 0.08426073 18.22960155 1.53579412 0.85129286E-02 0.15300000E+05 0.08178425 18.25320802 1.53579123 0.82212540E-02 0.15350000E+05 0.07937464 18.27635777 1.53578352 0.79384201E-02 0.15400000E+05 0.07703033 18.29905900 1.53577270 0.76642283E-02 0.15450000E+05 0.07474975 18.32131967 1.53576259 0.73985525E-02 0.15500000E+05 0.07253140 18.34314725 1.53576062 0.71412979E-02 0.15550000E+05 0.07037375 18.36454863 1.53577188 0.68923575E-02 0.15600000E+05 0.06827533 18.38553011 1.53579097 0.66515746E-02 0.15650000E+05 0.06623468 18.40609754 1.53580571 0.64187236E-02 0.15700000E+05 0.06425038 18.42625648 1.53580741 0.61935102E-02 0.15750000E+05 0.06232104 18.44601239 1.53579403 0.59756017E-02 0.15800000E+05 0.06044531 18.46537085 1.53577000 0.57646803E-02 0.15850000E+05 0.05862186 18.48433760 1.53574820 0.55604962E-02 0.15900000E+05 0.05684942 18.50291867 1.53574342 0.53628955E-02 0.15950000E+05 0.05512672 18.52112029 1.53575892 0.51718048E-02 0.16000000E+05 0.05345253 18.53894883 1.53578450 0.49871804E-02 0.16050000E+05 0.05182566 18.55641074 1.53580649 0.48089451E-02 0.16100000E+05 0.05024492 18.57351244 1.53581397 0.46369416E-02 0.16150000E+05 0.04870916 18.59026034 1.53580108 0.44709259E-02 0.16200000E+05 0.04721726 18.60666079 1.53577346 0.43106073E-02 0.16250000E+05 0.04576811 18.62272017 1.53574775 0.41557113E-02 0.16300000E+05 0.04436064 18.63844490 1.53573819 0.40060349E-02 0.16350000E+05 0.04299378 18.65384150 1.53574779 0.38614628E-02 0.16400000E+05 0.04166651 18.66891656 1.53577164 0.37219422E-02 0.16450000E+05 0.04037782 18.68367674 1.53579915 0.35874274E-02 0.16500000E+05 0.03912672 18.69812865 1.53581477 0.34578218E-02 0.16550000E+05 0.03791223 18.71227878 1.53580785 0.33329468E-02 0.16600000E+05 0.03673340 18.72613341 1.53578286 0.32125585E-02 0.16650000E+05 0.03558930 18.73969854 1.53575397 0.30964035E-02 0.16700000E+05 0.03447900 18.75297990 1.53573497 0.29842794E-02 0.16750000E+05 0.03340161 18.76598291 1.53573627 0.28760623E-02 0.16800000E+05 0.03235624 18.77871281 1.53575974 0.27716891E-02 0.16850000E+05 0.03134203 18.79117463 1.53579237 0.26711118E-02 0.16900000E+05 0.03035815 18.80337333 1.53581381 0.25742526E-02 0.16950000E+05 0.02940376 18.81531380 1.53581264 0.24809802E-02 0.17000000E+05 0.02847807 18.82700086 1.53579087 0.23911170E-02 0.17050000E+05 0.02758028 18.83843928 1.53575888 0.23044714E-02 0.17100000E+05 0.02670964 18.84963376 1.53573369 0.22208777E-02 0.17150000E+05 0.02586539 18.86058892 1.53573148 0.21402229E-02 0.17200000E+05 0.02504681 18.87130928 1.53575370 0.20624455E-02 0.17250000E+05 0.02425317 18.88179924 1.53578555 0.19875078E-02 0.17300000E+05 0.02348379 18.89206315 1.53580941 0.19153575E-02 0.17350000E+05 0.02273798 18.90210531 1.53581391 0.18459012E-02 0.17400000E+05 0.02201508 18.91192994 1.53579531 0.17790042E-02 0.17450000E+05 0.02131443 18.92154124 1.53576272 0.17145179E-02 0.17500000E+05 0.02063541 18.93094336 1.53573668 0.16523155E-02 0.17550000E+05 0.01997741 18.94014035 1.53573281 0.15923152E-02 0.17600000E+05 0.01933980 18.94913616 1.53575076 0.15344776E-02 0.17650000E+05 0.01872202 18.95793462 1.53577950 0.14787812E-02 0.17700000E+05 0.01812348 18.96653941 1.53580452 0.14251902E-02 0.17750000E+05 0.01754363 18.97495406 1.53581112 0.13736348E-02 0.17800000E+05 0.01698191 18.98318200 1.53579432 0.13240105E-02 0.17850000E+05 0.01643779 18.99122656 1.53576642 0.12761995E-02 0.17900000E+05 0.01591077 18.99909098 1.53574526 0.12301007E-02 0.17950000E+05 0.01540032 19.00677848 1.53574008 0.11856503E-02 0.18000000E+05 0.01490597 19.01429223 1.53575142 0.11428214E-02 0.18050000E+05 0.01442724 19.02163541 1.53577386 0.11016010E-02 0.18100000E+05 0.01396365 19.02881114 1.53579485 0.10619623E-02 0.18150000E+05 0.01351475 19.03582250 1.53580173 0.10238481E-02 0.18200000E+05 0.01308011 19.04267253 1.53579352 0.98717462E-03 0.18250000E+05 0.01265930 19.04936421 1.53577761 0.95185009E-03 0.18300000E+05 0.01225189 19.05590047 1.53576015 0.91779578E-03 0.18350000E+05 0.01185748 19.06228419 1.53574781 0.88495790E-03 0.18400000E+05 0.01147567 19.06851823 1.53574855 0.85330662E-03 0.18450000E+05 0.01110608 19.07460541 1.53576306 0.82282509E-03 0.18500000E+05 0.01074834 19.08054852 1.53578251 0.79349531E-03 0.18550000E+05 0.01040208 19.08635028 1.53579789 0.76528699E-03 0.18600000E+05 0.01006695 19.09201336 1.53580313 0.73815352E-03 0.18650000E+05 0.00974260 19.09754033 1.53579256 0.71203586E-03 0.18700000E+05 0.00942870 19.10293372 1.53576882 0.68687189E-03 0.18750000E+05 0.00912492 19.10819601 1.53574711 0.66260673E-03 0.18800000E+05 0.00883095 19.11332967 1.53574195 0.63920006E-03 0.18850000E+05 0.00854649 19.11833714 1.53575540 0.61662731E-03 0.18900000E+05 0.00827123 19.12322086 1.53578035 0.59487484E-03 0.18950000E+05 0.00800488 19.12798322 1.53580480 0.57393105E-03 0.19000000E+05 0.00774717 19.13262660 1.53581288 0.55377798E-03 0.19050000E+05 0.00749782 19.13715334 1.53579667 0.53438701E-03 0.19100000E+05 0.00725657 19.14156571 1.53576767 0.51572035E-03 0.19150000E+05 0.00702316 19.14586597 1.53574562 0.49773621E-03 0.19200000E+05 0.00679734 19.15005629 1.53574204 0.48039454E-03 0.19250000E+05 0.00657887 19.15413883 1.53575810 0.46366110E-03 0.19300000E+05 0.00636752 19.15811565 1.53578654 0.44751002E-03 0.19350000E+05 0.00616305 19.16198876 1.53581014 0.43192459E-03 0.19400000E+05 0.00596525 19.16576011 1.53581215 0.41689616E-03 0.19450000E+05 0.00577390 19.16943154 1.53579325 0.40242003E-03 0.19500000E+05 0.00558880 19.17300484 1.53576833 0.38848964E-03 0.19550000E+05 0.00540973 19.17648172 1.53575093 0.37509094E-03 0.19600000E+05 0.00523652 19.17986381 1.53574936 0.36220028E-03 0.19650000E+05 0.00506896 19.18315271 1.53576605 0.34978654E-03 0.19700000E+05 0.00490687 19.18634995 1.53579135 0.33781690E-03 0.19750000E+05 0.00475008 19.18945706 1.53580751 0.32626296E-03 0.19800000E+05 0.00459842 19.19247552 1.53580614 0.31510470E-03 0.19850000E+05 0.00445171 19.19540676 1.53579252 0.30433089E-03 0.19900000E+05 0.00430980 19.19825219 1.53577472 0.29393651E-03 0.19950000E+05 0.00417253 19.20101318 1.53576107 0.28391865E-03 0.20000000E+05 0.00403974 19.20369103 1.53576061 0.27427261E-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 -0.002614 2.78490 2 0.1554312 -0.018035 2.24422 3 0.1597487 -0.021206 1.72756 4 0.1640662 -0.012872 1.22522 5 0.1683837 0.000568 0.72771 6 0.1727013 0.010983 0.23037 7 0.1770188 0.013048 -0.26331 8 0.1813363 0.006885 -0.74336 9 0.1856539 -0.002557 -1.20125 10 0.1899714 -0.008856 -1.63679 11 0.1942889 -0.008183 -2.05801 12 0.1986065 -0.001654 -2.47541 13 0.2029240 0.005528 -2.89452 14 0.2072415 0.007822 2.97216 15 0.2115591 0.003595 2.56889 16 0.2158766 -0.003349 2.18529 17 0.2201941 -0.006738 1.81725 18 0.2245117 -0.003428 1.45420 19 0.2288292 0.003301 1.08863 20 0.2331467 0.006545 0.72364 21 0.2374643 0.002793 0.37001 22 0.2417818 -0.003944 0.03383 23 0.2460993 -0.006099 -0.29037 24 0.2504169 -0.001125 -0.61363 25 0.2547344 0.005104 -0.94057 26 0.2590519 0.004985 -1.26375 27 0.2633695 -0.001344 -1.57267 28 0.2676870 -0.005778 -1.86728 29 0.2720045 -0.002497 -2.15798 30 0.2763221 0.004141 -2.45299 31 0.2806396 0.005119 -2.74778 32 0.2849571 -0.000919 -3.03079 33 0.2892746 -0.005504 2.98361 34 0.2935922 -0.002148 2.71902 35 0.2979097 0.004197 2.44952 36 0.3022272 0.004166 2.17962 37 0.3065448 -0.002157 1.92129 38 0.3108623 -0.005202 1.67603 39 0.3151798 -0.000392 1.43255 40 0.3194974 0.004727 1.18299 41 0.3238149 0.002173 0.93493 42 0.3281324 -0.003872 0.69998 43 0.3324500 -0.003688 0.47528 44 0.3367675 0.002316 0.24782 45 0.3410850 0.004276 0.01447 46 0.3454026 -0.000906 -0.21235 47 0.3497201 -0.004466 -0.42506 48 0.3540376 -0.000523 -0.63361 49 0.3583552 0.004029 -0.84952 50 0.3626727 0.001392 -1.06653 51 0.3669902 -0.003740 -1.27059 52 0.3713078 -0.002452 -1.46447 53 0.3756253 0.002807 -1.66344 54 0.3799428 0.002697 -1.86923 55 0.3842604 -0.002405 -2.06604 56 0.3885779 -0.003262 -2.24877 57 0.3928954 0.001505 -2.43271 58 0.3972129 0.003106 -2.62676 59 0.4015305 -0.001234 -2.81629 60 0.4058480 -0.003345 -2.98957 61 0.4101655 0.000602 3.12289 62 0.4144831 0.003103 2.94007 63 0.4188006 -0.000436 2.75781 64 0.4231181 -0.003166 2.59332 65 0.4274357 0.000002 2.43451 66 0.4317532 0.002804 2.26180 67 0.4360707 -0.000102 2.08648 68 0.4403883 -0.002893 1.93067 69 0.4447058 -0.000150 1.78258 70 0.4490233 0.002616 1.61781 71 0.4533409 0.000060 1.44835 72 0.4576584 -0.002479 1.30162 73 0.4619759 0.000130 1.16359 74 0.4662935 0.002617 1.00437 75 0.4706110 0.000224 0.84003 76 0.4749285 -0.001737 0.70383 77 0.4792461 0.000972 0.57513 78 0.4835636 0.002946 0.41813 79 0.4878811 0.000619 0.25895 80 0.4921987 -0.000484 0.13653 81 0.4965162 0.002406 0.01714 82 0.5008337 0.003774 -0.13968 83 0.5051512 0.001834 -0.28899 84 0.5094688 0.001995 -0.39107 85 0.5137863 0.004948 -0.50477 86 0.5181038 0.005515 -0.67521 87 0.5224214 0.003982 -0.82523 88 0.5267389 0.004894 -0.92282 89 0.5310564 0.007066 -1.06692 90 0.5353740 0.007089 -1.27690 91 0.5396915 0.007170 -1.41151 92 0.5440090 0.009606 -1.49913 93 0.5483266 0.011631 -1.69724 ******************************************************************************** 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 0.9922080E+00 0.6573339E-02 0.4938069E+00 1 0.2279582E-04 0.1077244E-01 0.4911111E-01 2 0.0000000E+00 0.0000000E+00 0.0000000E+00 ************************************ diffraction summed probabilities ************************************ v irot j m probability 0 43 0 0 0.1344004E-04 0 31 2 -2 0.2522099E-06 0 37 2 -1 0.6009301E-05 0 44 2 0 0.2036298E-04 0 50 2 1 0.4509443E-04 0 56 2 2 0.6090217E-05 0 21 4 -4 0.1951943E-07 0 26 4 -3 0.1756159E-06 0 32 4 -2 0.1728202E-05 0 38 4 -1 0.8904562E-05 0 45 4 0 0.1395390E-04 0 51 4 1 0.1656601E-03 0 57 4 2 0.1944103E-03 0 62 4 3 0.4380385E-04 0 67 4 4 0.4277240E-05 0 13 6 -6 0.1088244E-08 0 17 6 -5 0.5400495E-08 0 22 6 -4 0.2850035E-07 0 27 6 -3 0.1531278E-06 0 33 6 -2 0.4057885E-06 0 39 6 -1 0.1714707E-05 0 46 6 0 0.4640363E-04 0 52 6 1 0.1448980E-03 0 58 6 2 0.2217718E-02 0 63 6 3 0.2230747E-02 0 68 6 4 0.3057495E-03 0 72 6 5 0.8377083E-04 0 76 6 6 0.2495494E-04 0 7 8 -8 0.1865372E-11 0 10 8 -7 0.1606404E-10 0 14 8 -6 0.9680600E-10 0 18 8 -5 0.1613011E-08 0 23 8 -4 0.4014014E-08 0 28 8 -3 0.3650171E-06 0 34 8 -2 0.6709896E-07 0 40 8 -1 0.1957196E-04 0 47 8 0 0.6190348E-04 0 53 8 1 0.5336586E-02 0 59 8 2 0.2850964E-01 0 64 8 3 0.8953491E+00 0 69 8 4 0.5180509E-01 0 73 8 5 0.5327696E-02 0 77 8 6 0.2086884E-03 0 80 8 7 0.8377581E-05 0 83 8 8 0.2088578E-06 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 0.1083180E-04 1 31 2 -2 0.5919182E-08 1 37 2 -1 0.4616611E-07 1 44 2 0 0.2872208E-05 1 50 2 1 0.9914648E-06 1 56 2 2 0.2000207E-05 1 21 4 -4 0.2321943E-10 1 26 4 -3 0.1465532E-09 1 32 4 -2 0.2530319E-09 1 38 4 -1 0.7479172E-09 1 45 4 0 0.2475930E-07 1 51 4 1 0.2305775E-06 1 57 4 2 0.1700492E-05 1 62 4 3 0.4054334E-05 1 67 4 4 0.3672659E-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 0.4371075E-08 1 0.4443838E-06 2 0.6434326E-05 3 0.5864319E-05 4 0.6045417E-06 5 0.4415494E-07 6 0.2248046E-07 7 0.1584188E-07 8 0.4507465E-08 9 0.1114889E-08 v, j, mj = 0 2 -2 0 0.9872515E-16 1 0.1515744E-08 2 0.2306646E-07 3 0.1284895E-06 4 0.8002805E-07 5 0.5862327E-08 6 0.8180785E-08 7 0.3406968E-08 8 0.8815543E-09 9 0.7784556E-09 v, j, mj = 0 2 -1 0 0.3860895E-15 1 0.1677761E-07 2 0.1692800E-05 3 0.3393466E-05 4 0.8266973E-06 5 0.5511254E-07 6 0.1383372E-07 7 0.6685438E-08 8 0.3470983E-08 9 0.4569280E-09 v, j, mj = 0 2 0 0 0.5635154E-08 1 0.6381434E-06 2 0.9753959E-05 3 0.8630422E-05 4 0.1123446E-05 5 0.1191763E-06 6 0.5372450E-07 7 0.2934619E-07 8 0.7983824E-08 9 0.1140646E-08 v, j, mj = 0 2 1 0 0.4248307E-15 1 0.9568375E-05 2 0.2850030E-04 3 0.6026669E-05 4 0.6568091E-06 5 0.2159062E-06 6 0.9954525E-07 7 0.2099273E-07 8 0.5206914E-08 9 0.6289572E-09 v, j, mj = 0 2 2 0 0.9572876E-17 1 0.3941268E-05 2 0.1033871E-05 3 0.8968870E-06 4 0.1267783E-06 5 0.4895206E-07 6 0.3438504E-07 7 0.6796547E-08 8 0.9251131E-09 9 0.3543377E-09 v, j, mj = 0 4 -4 0 0.4511838E-16 1 0.4302738E-09 2 0.8789621E-09 3 0.2377437E-08 4 0.6837598E-08 5 0.3196861E-08 6 0.2055216E-08 7 0.1944260E-08 8 0.1273478E-08 9 0.5253407E-09 v, j, mj = 0 4 -3 0 0.1416393E-08 1 0.4963012E-09 2 0.6219307E-08 3 0.6835355E-07 4 0.6205614E-07 5 0.1547214E-07 6 0.1362809E-07 7 0.2723429E-08 8 0.3883545E-08 9 0.1367038E-08 v, j, mj = 0 4 -2 0 0.1248275E-15 1 0.6151895E-08 2 0.2230092E-06 3 0.9483643E-06 4 0.4571057E-06 5 0.5121343E-07 6 0.2207563E-07 7 0.1595264E-07 8 0.3242614E-08 9 0.1086228E-08 v, j, mj = 0 4 -1 0 0.1244833E-14 1 0.1181041E-07 2 0.2410350E-05 3 0.5106659E-05 4 0.1236578E-05 5 0.5155068E-07 6 0.7879114E-07 7 0.4690354E-08 8 0.2467844E-08 9 0.1663364E-08 v, j, mj = 0 4 0 0 0.8738365E-08 1 0.2290354E-06 2 0.3105284E-05 3 0.6781645E-05 4 0.3388561E-05 5 0.3863729E-06 6 0.4235737E-07 7 0.1025294E-07 8 0.1224425E-08 9 0.4237821E-09 v, j, mj = 0 4 1 0 0.4911820E-14 1 0.3372044E-04 2 0.9700801E-04 3 0.2940207E-04 4 0.5051657E-05 5 0.3903812E-06 6 0.7325958E-07 7 0.8665827E-08 8 0.2428286E-08 9 0.3164730E-08 v, j, mj = 0 4 2 0 0.2832634E-16 1 0.1200028E-03 2 0.5174711E-04 3 0.1720712E-04 4 0.4861661E-05 5 0.4025498E-06 6 0.1699715E-06 7 0.1712895E-07 8 0.1811922E-08 9 0.1926679E-09 v, j, mj = 0 4 3 0 0.1426540E-04 1 0.1584789E-04 2 0.1158312E-04 3 0.1307769E-05 4 0.6556095E-06 5 0.1046994E-06 6 0.3121115E-07 7 0.3937643E-08 8 0.3394148E-08 9 0.8295229E-09 v, j, mj = 0 4 4 0 0.1005480E-15 1 0.1114307E-05 2 0.2209544E-05 3 0.7778221E-06 4 0.6644586E-07 5 0.8238907E-07 6 0.2019135E-07 7 0.5399030E-08 8 0.8601008E-09 9 0.2806143E-09 v, j, mj = 0 6 -6 0 0.1060097E-12 1 0.2421758E-11 2 0.2392211E-10 3 0.9484572E-10 4 0.1880471E-09 5 0.6267332E-10 6 0.2217050E-09 7 0.3267876E-09 8 0.1677350E-09 9 0.0000000E+00 v, j, mj = 0 6 -5 0 0.6422684E-16 1 0.9398687E-10 2 0.3033948E-09 3 0.8069037E-09 4 0.9204720E-09 5 0.5892977E-09 6 0.1070285E-08 7 0.1528091E-08 8 0.8806457E-10 9 0.0000000E+00 v, j, mj = 0 6 -4 0 0.1122472E-15 1 0.1346777E-08 2 0.4630102E-08 3 0.8315758E-08 4 0.2159997E-08 5 0.3921817E-08 6 0.5146333E-08 7 0.2851726E-08 8 0.1278460E-09 9 0.0000000E+00 v, j, mj = 0 6 -3 0 0.4976756E-08 1 0.1137602E-07 2 0.3826647E-07 3 0.2293990E-07 4 0.3613313E-07 5 0.1313340E-07 6 0.1602211E-07 7 0.1014186E-07 8 0.1381295E-09 9 0.0000000E+00 v, j, mj = 0 6 -2 0 0.2938112E-15 1 0.3877309E-07 2 0.1486442E-06 3 0.1310698E-06 4 0.2519134E-07 5 0.1963084E-07 6 0.3200933E-07 7 0.1027264E-07 8 0.1972921E-09 9 0.0000000E+00 v, j, mj = 0 6 -1 0 0.1399709E-14 1 0.2181748E-06 2 0.4765908E-06 3 0.1602007E-06 4 0.4470294E-06 5 0.3458395E-06 6 0.5941880E-07 7 0.7414772E-08 8 0.3771001E-10 9 0.0000000E+00 v, j, mj = 0 6 0 0 0.6081874E-08 1 0.8196056E-05 2 0.2547269E-04 3 0.1124091E-04 4 0.1322377E-05 5 0.1005114E-06 6 0.5365439E-07 7 0.1113209E-07 8 0.2091553E-09 9 0.0000000E+00 v, j, mj = 0 6 1 0 0.2706383E-13 1 0.3242274E-04 2 0.8704483E-04 3 0.2076939E-04 4 0.4494741E-05 5 0.1096029E-06 6 0.2719068E-07 7 0.2853232E-07 8 0.9201370E-09 9 0.0000000E+00 v, j, mj = 0 6 2 0 0.2513037E-15 1 0.1388754E-02 2 0.7585862E-03 3 0.6480623E-04 4 0.4870618E-05 5 0.6689110E-06 6 0.2589740E-07 7 0.6581552E-08 8 0.9790731E-10 9 0.0000000E+00 v, j, mj = 0 6 3 0 0.7242082E-03 1 0.7502794E-03 2 0.5878212E-03 3 0.1582114E-03 4 0.1006805E-04 5 0.1295237E-06 6 0.2089664E-07 7 0.8153825E-08 8 0.2645979E-09 9 0.0000000E+00 v, j, mj = 0 6 4 0 0.1359480E-15 1 0.8111451E-04 2 0.1448599E-03 3 0.7207321E-04 4 0.7309173E-05 5 0.3193825E-06 6 0.6728503E-07 7 0.5780617E-08 8 0.2493921E-09 9 0.0000000E+00 v, j, mj = 0 6 5 0 0.4336896E-14 1 0.8645457E-07 2 0.3107873E-04 3 0.4233707E-04 4 0.9824153E-05 5 0.4063707E-06 6 0.2650348E-07 7 0.1125005E-07 8 0.2924796E-09 9 0.0000000E+00 v, j, mj = 0 6 6 0 0.3873924E-08 1 0.1241356E-06 2 0.4178356E-05 3 0.1409171E-04 4 0.6079802E-05 5 0.4641566E-06 6 0.1050621E-07 7 0.1821206E-08 8 0.5760467E-09 9 0.0000000E+00 v, j, mj = 0 8 -8 0 0.1218287E-17 1 0.6051548E-13 2 0.2344815E-13 3 0.1607930E-12 4 0.4656451E-12 5 0.1154969E-11 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -7 0 0.2713354E-17 1 0.1004158E-12 2 0.2510904E-12 3 0.5013005E-12 4 0.3053151E-11 5 0.1215808E-10 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -6 0 0.4622877E-12 1 0.3204790E-11 2 0.1347992E-10 3 0.2662722E-11 4 0.1561684E-10 5 0.6137944E-10 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -5 0 0.1245327E-16 1 0.1484523E-09 2 0.4779624E-10 3 0.1007153E-09 4 0.6942616E-09 5 0.6217860E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -4 0 0.2025945E-16 1 0.1208535E-08 2 0.1756270E-08 3 0.4210257E-09 4 0.2969403E-09 5 0.3312420E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -3 0 0.7553702E-07 1 0.4489471E-07 2 0.1495861E-06 3 0.1172812E-07 4 0.6458340E-07 5 0.1868781E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -2 0 0.1693048E-16 1 0.1081493E-07 2 0.3003420E-07 3 0.1277369E-07 4 0.1207686E-07 5 0.1399267E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -1 0 0.4035164E-17 1 0.4815100E-05 2 0.1170619E-04 3 0.1281413E-05 4 0.1642731E-05 5 0.1265257E-06 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 0 0 0.1320630E-06 1 0.2663756E-04 2 0.2936794E-04 3 0.5366362E-05 4 0.3802036E-06 5 0.1934953E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 1 0 0.3066160E-15 1 0.3727596E-02 2 0.1517433E-02 3 0.8578924E-04 4 0.5720296E-05 5 0.4778894E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 2 0 0.6641713E-17 1 0.2114944E-01 2 0.7016903E-02 3 0.3378819E-03 4 0.5345896E-05 5 0.6374394E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 3 0 0.4125106E+00 1 0.4264505E+00 2 0.5464605E-01 3 0.1718647E-02 4 0.2304502E-04 5 0.2548729E-06 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 4 0 0.1281445E-16 1 0.3441888E-01 2 0.1641254E-01 3 0.9614947E-03 4 0.1205962E-04 5 0.1129841E-06 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 5 0 0.2734957E-15 1 0.1914660E-02 2 0.3033747E-02 3 0.3667331E-03 4 0.1237430E-04 5 0.1816524E-06 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 6 0 0.3825671E-06 1 0.1657721E-04 2 0.1479162E-03 3 0.4190401E-04 4 0.1638021E-05 5 0.2704105E-06 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 7 0 0.4188902E-16 1 0.1150972E-05 2 0.4022709E-05 3 0.2386935E-05 4 0.6161756E-06 5 0.2007898E-06 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 8 0 0.1000573E-17 1 0.2423091E-07 2 0.5293762E-07 3 0.4687048E-07 4 0.1984970E-07 5 0.6496911E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 0 0 0 0.4850920E-08 1 0.9458203E-05 2 0.1189368E-05 3 0.1615181E-06 4 0.5033856E-08 5 0.1282216E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 2 -2 0 0.7973018E-18 1 0.1497695E-09 2 0.5208607E-09 3 0.7954549E-09 4 0.4453097E-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 0.1217863E-17 1 0.1108700E-07 2 0.1571079E-07 3 0.2146024E-08 4 0.1722230E-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 0 0 0.1796843E-08 1 0.2711616E-05 2 0.1278249E-06 3 0.2701585E-07 4 0.3955052E-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 0.4485480E-16 1 0.7098441E-06 2 0.2144861E-06 3 0.4177596E-07 4 0.2535865E-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 0.2292109E-17 1 0.1570398E-05 2 0.3709746E-06 3 0.4748239E-07 4 0.1135179E-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 4 -4 0 0.2814119E-19 1 0.9072366E-12 2 0.2231219E-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 4 -3 0 0.1022392E-10 1 0.6791087E-10 2 0.6841839E-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 4 -2 0 0.2805824E-19 1 0.6611023E-10 2 0.1869217E-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 -1 0 0.1940526E-18 1 0.3424112E-09 2 0.4055061E-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 0 0 0.4582824E-09 1 0.1839575E-07 2 0.5905260E-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 0.3086237E-19 1 0.1908981E-06 2 0.3967945E-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 2 0 0.8649828E-19 1 0.1641085E-05 2 0.5940682E-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 0.1907580E-05 1 0.1923048E-05 2 0.2237048E-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 4 0 0.1040501E-18 1 0.2311457E-07 2 0.1361201E-07 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 sum of the probabilities = 0.9922308 average vibrational energy (ev) = 0.000012 average rotational energy (ev) = 0.493797 average diffraction energy (ev) = 0.006573 the reaction probability = 0.7769206D-02 $$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$ total energy = -0.41272524D+01 trans energy = 0.26428571D+00 trans energy in z = 0.26428571D+00 total momentum = 0.84480953D+01 $$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$ ************************************ rotation-diffraction summed probabilities ************************************ v probability av edif av erot 0 0.1002132E+01 0.8578693E-02 0.4911491E+00 1 0.1527415E-03 0.1068191E-01 0.1069070E+00 2 0.0000000E+00 0.0000000E+00 0.0000000E+00 ************************************ diffraction summed probabilities ************************************ v irot j m probability 0 43 0 0 0.7616172E-04 0 31 2 -2 0.1647474E-05 0 37 2 -1 0.3780426E-04 0 44 2 0 0.1156823E-03 0 50 2 1 0.2384431E-03 0 56 2 2 0.3066892E-04 0 21 4 -4 0.1501831E-06 0 26 4 -3 0.1899041E-05 0 32 4 -2 0.1778857E-04 0 38 4 -1 0.7740946E-04 0 45 4 0 0.7516893E-04 0 51 4 1 0.7253641E-03 0 57 4 2 0.7358574E-03 0 62 4 3 0.1621952E-03 0 67 4 4 0.1160277E-04 0 13 6 -6 0.2141994E-08 0 17 6 -5 0.1129688E-07 0 22 6 -4 0.8702657E-07 0 27 6 -3 0.6569764E-06 0 33 6 -2 0.3265875E-05 0 39 6 -1 0.7019440E-05 0 46 6 0 0.2669305E-03 0 52 6 1 0.8395153E-03 0 58 6 2 0.6589655E-02 0 63 6 3 0.5967923E-02 0 68 6 4 0.1038236E-02 0 72 6 5 0.2518229E-03 0 76 6 6 0.1106628E-03 0 7 8 -8 0.9763854E-11 0 10 8 -7 0.5190584E-10 0 14 8 -6 0.2904805E-09 0 18 8 -5 0.2549567E-08 0 23 8 -4 0.5634337E-08 0 28 8 -3 0.4031510E-06 0 34 8 -2 0.2046763E-06 0 40 8 -1 0.5068954E-04 0 47 8 0 0.2949218E-03 0 53 8 1 0.1103515E-01 0 59 8 2 0.6257676E-01 0 64 8 3 0.7832667E+00 0 69 8 4 0.1102623E+00 0 73 8 5 0.1579846E-01 0 77 8 6 0.1398993E-02 0 80 8 7 0.6169450E-04 0 83 8 8 0.1125509E-05 0 3 10 -10 0.4951286E-14 0 5 10 -9 0.1899833E-13 0 8 10 -8 0.4698146E-13 0 11 10 -7 0.6441526E-14 0 15 10 -6 0.1089601E-11 0 19 10 -5 0.7517368E-11 0 24 10 -4 0.2876798E-09 0 29 10 -3 0.4745336E-08 0 35 10 -2 0.1493683E-09 0 41 10 -1 0.8926744E-09 0 48 10 0 0.6686189E-08 0 54 10 1 0.3628045E-07 0 60 10 2 0.2214822E-06 0 65 10 3 0.2933648E-06 0 70 10 4 0.5203959E-06 0 74 10 5 0.7933964E-07 0 78 10 6 0.1865624E-07 0 81 10 7 0.4835805E-08 0 84 10 8 0.2710016E-09 0 86 10 9 0.2949354E-08 0 88 10 10 0.5141224E-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 0.1451645E-04 1 31 2 -2 0.1359143E-07 1 37 2 -1 0.1138809E-06 1 44 2 0 0.5290308E-05 1 50 2 1 0.6722370E-05 1 56 2 2 0.2208509E-04 1 21 4 -4 0.2505203E-09 1 26 4 -3 0.8677200E-09 1 32 4 -2 0.4898232E-08 1 38 4 -1 0.1420347E-07 1 45 4 0 0.1040925E-06 1 51 4 1 0.1717181E-05 1 57 4 2 0.2548388E-04 1 62 4 3 0.7297386E-04 1 67 4 4 0.3700581E-05 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 0.1203142E-07 1 0.2983221E-05 2 0.4146396E-04 3 0.3020407E-04 4 0.1401237E-05 5 0.4393636E-07 6 0.2517199E-07 7 0.1563565E-07 8 0.7525937E-08 9 0.4926702E-08 v, j, mj = 0 2 -2 0 0.2179983E-15 1 0.2709925E-08 2 0.2602979E-06 3 0.9961786E-06 4 0.3506947E-06 5 0.1296298E-07 6 0.2101083E-07 7 0.1772598E-08 8 0.1208634E-08 9 0.6381319E-09 v, j, mj = 0 2 -1 0 0.2683847E-14 1 0.1651024E-06 2 0.1364377E-04 3 0.2078551E-04 4 0.3139239E-05 5 0.2603654E-07 6 0.3146553E-07 7 0.1077491E-07 8 0.1730756E-08 9 0.6317845E-09 v, j, mj = 0 2 0 0 0.2580833E-07 1 0.4033211E-05 2 0.5993937E-04 3 0.4805870E-04 4 0.3459646E-05 5 0.5930694E-07 6 0.6560089E-07 7 0.2873788E-07 8 0.7700315E-08 9 0.4195716E-08 v, j, mj = 0 2 1 0 0.6694697E-14 1 0.5986099E-04 2 0.1600244E-03 3 0.1677501E-04 4 0.1493447E-05 5 0.1679588E-06 6 0.1023411E-06 7 0.1444571E-07 8 0.3514014E-08 9 0.1031016E-08 v, j, mj = 0 2 2 0 0.2070352E-15 1 0.2328365E-04 2 0.2803243E-05 3 0.3969714E-05 4 0.4670487E-06 5 0.6605505E-07 6 0.6629868E-07 7 0.9569865E-08 8 0.2585934E-08 9 0.7555739E-09 v, j, mj = 0 4 -4 0 0.4991172E-15 1 0.1756715E-08 2 0.3385546E-08 3 0.3940134E-07 4 0.7260960E-07 5 0.2614495E-07 6 0.3722317E-08 7 0.1244506E-08 8 0.1090507E-08 9 0.8276058E-09 v, j, mj = 0 4 -3 0 0.3484490E-08 1 0.2667682E-08 2 0.9175848E-07 3 0.9183936E-06 4 0.7264929E-06 5 0.1284277E-06 6 0.1569787E-07 7 0.8126977E-08 8 0.2133583E-08 9 0.1857482E-08 v, j, mj = 0 4 -2 0 0.6885954E-15 1 0.1156731E-07 2 0.2887362E-05 3 0.1060111E-04 4 0.3969538E-05 5 0.2567282E-06 6 0.5107962E-07 7 0.7710020E-08 8 0.2567092E-08 9 0.9120774E-09 v, j, mj = 0 4 -1 0 0.1374491E-13 1 0.4722124E-06 2 0.2393800E-04 3 0.4388916E-04 4 0.8827266E-05 5 0.1484392E-06 6 0.1159259E-06 7 0.1277288E-07 8 0.3812166E-08 9 0.1885124E-08 v, j, mj = 0 4 0 0 0.4939440E-08 1 0.1486970E-05 2 0.1811195E-04 3 0.4264241E-04 4 0.1216728E-04 5 0.6778938E-06 6 0.5852659E-07 7 0.1717335E-07 8 0.1310790E-08 9 0.4664486E-09 v, j, mj = 0 4 1 0 0.1878286E-13 1 0.1778820E-03 2 0.4556194E-03 3 0.7943134E-04 4 0.1099204E-04 5 0.1240166E-05 6 0.1745298E-06 7 0.1769220E-07 8 0.4689271E-08 9 0.2262860E-08 v, j, mj = 0 4 2 0 0.6117069E-15 1 0.5544878E-03 2 0.1093449E-03 3 0.5462844E-04 4 0.1572728E-04 5 0.1516507E-05 6 0.1411459E-06 7 0.8981507E-08 8 0.1560910E-08 9 0.7225345E-09 v, j, mj = 0 4 3 0 0.5689284E-04 1 0.3508006E-04 2 0.6238056E-04 3 0.5718869E-05 4 0.1579508E-05 5 0.3920238E-06 6 0.1360184E-06 7 0.1085246E-07 8 0.2805382E-08 9 0.1689693E-08 v, j, mj = 0 4 4 0 0.2814996E-15 1 0.2233074E-05 2 0.6173000E-05 3 0.2480068E-05 4 0.1162978E-06 5 0.4414766E-06 6 0.1479192E-06 7 0.9249044E-08 8 0.1070667E-08 9 0.6117473E-09 v, j, mj = 0 6 -6 0 0.6901263E-12 1 0.8728961E-11 2 0.7569001E-10 3 0.2328752E-09 4 0.4691101E-09 5 0.7492011E-10 6 0.2497708E-09 7 0.2680586E-09 8 0.7621502E-09 9 0.0000000E+00 v, j, mj = 0 6 -5 0 0.7500421E-15 1 0.4116209E-09 2 0.7691599E-09 3 0.1669916E-08 4 0.2092537E-08 5 0.2470065E-08 6 0.1059877E-08 7 0.1909837E-08 8 0.9138682E-09 9 0.0000000E+00 v, j, mj = 0 6 -4 0 0.1093193E-14 1 0.5191491E-08 2 0.1036497E-07 3 0.3294350E-07 4 0.1836165E-07 5 0.6861132E-08 6 0.5213549E-08 7 0.3335110E-08 8 0.4755171E-08 9 0.0000000E+00 v, j, mj = 0 6 -3 0 0.2661637E-07 1 0.1560440E-07 2 0.1312293E-06 3 0.2569772E-06 4 0.1775060E-06 5 0.2613841E-07 6 0.1476509E-07 7 0.6688466E-08 8 0.1451128E-08 9 0.0000000E+00 v, j, mj = 0 6 -2 0 0.1799745E-14 1 0.2584446E-07 2 0.1169032E-05 3 0.1724751E-05 4 0.2731416E-06 5 0.2517482E-07 6 0.2627286E-07 7 0.1540150E-07 8 0.6256559E-08 9 0.0000000E+00 v, j, mj = 0 6 -1 0 0.2522008E-13 1 0.1610861E-05 2 0.6751313E-06 3 0.3446756E-05 4 0.8636420E-06 5 0.3643683E-06 6 0.5174536E-07 7 0.5853065E-08 8 0.1083528E-08 9 0.0000000E+00 v, j, mj = 0 6 0 0 0.1024463E-08 1 0.3592011E-04 2 0.1726589E-03 3 0.5475031E-04 4 0.3384486E-05 5 0.1742630E-06 6 0.1235487E-07 7 0.2641585E-07 8 0.2644361E-08 9 0.0000000E+00 v, j, mj = 0 6 1 0 0.3944933E-12 1 0.1661343E-03 2 0.5656517E-03 3 0.9889607E-04 4 0.8657749E-05 5 0.9263005E-07 6 0.6626586E-07 7 0.1171352E-07 8 0.4876733E-08 9 0.0000000E+00 v, j, mj = 0 6 2 0 0.5432711E-15 1 0.4820495E-02 2 0.1590706E-02 3 0.1617671E-03 4 0.1563847E-04 5 0.1014380E-05 6 0.2356659E-07 7 0.9751454E-08 8 0.1399650E-08 9 0.0000000E+00 v, j, mj = 0 6 3 0 0.2243587E-02 1 0.1312480E-02 2 0.1790237E-02 3 0.5835019E-03 4 0.3787108E-04 5 0.2140467E-06 6 0.2725097E-07 7 0.3044621E-08 8 0.1519783E-08 9 0.0000000E+00 v, j, mj = 0 6 4 0 0.1497119E-14 1 0.2939773E-03 2 0.4059047E-03 3 0.2878770E-03 4 0.4795552E-04 5 0.2464277E-05 6 0.3395973E-07 7 0.2220144E-07 8 0.1415352E-08 9 0.0000000E+00 v, j, mj = 0 6 5 0 0.3365825E-13 1 0.9617045E-06 2 0.7505945E-04 3 0.1356975E-03 4 0.3727656E-04 5 0.2759656E-05 6 0.5610519E-07 7 0.8848863E-08 8 0.3069471E-08 9 0.0000000E+00 v, j, mj = 0 6 6 0 0.1242694E-07 1 0.2395925E-06 2 0.1283962E-04 3 0.5656546E-04 4 0.3610261E-04 5 0.4791659E-05 6 0.1054900E-06 7 0.3767121E-08 8 0.2154153E-08 9 0.0000000E+00 v, j, mj = 0 8 -8 0 0.1932757E-16 1 0.2221075E-12 2 0.2685115E-12 3 0.7150540E-12 4 0.1102417E-11 5 0.3971238E-11 6 0.3484506E-11 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -7 0 0.8440224E-16 1 0.1610775E-12 2 0.2546749E-11 3 0.3345487E-11 4 0.5408305E-11 5 0.2474595E-10 6 0.1569819E-10 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -6 0 0.9887848E-12 1 0.1146954E-10 2 0.3956823E-10 3 0.6592567E-11 4 0.7990787E-11 5 0.1578186E-09 6 0.6605201E-10 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -5 0 0.4376781E-15 1 0.2324240E-09 2 0.3223071E-09 3 0.3252590E-09 4 0.6943929E-09 5 0.7907542E-09 6 0.1844293E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -4 0 0.6734817E-15 1 0.1039600E-08 2 0.1459382E-08 3 0.1171859E-08 4 0.5160851E-09 5 0.1341568E-08 6 0.1058425E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -3 0 0.5193346E-07 1 0.3847029E-07 2 0.2031735E-06 3 0.4222722E-07 4 0.5541145E-07 5 0.9922264E-08 6 0.2012809E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -2 0 0.6560317E-15 1 0.4282241E-07 2 0.1072120E-06 3 0.2190361E-07 4 0.1901544E-07 5 0.1178560E-07 6 0.1937297E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -1 0 0.3622514E-15 1 0.1290933E-04 2 0.3196491E-04 3 0.4066632E-05 4 0.1686395E-05 5 0.6039761E-07 6 0.1876427E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 0 0 0.1987035E-06 1 0.8862176E-04 2 0.1747480E-03 3 0.3010098E-04 4 0.1074728E-05 5 0.1579474E-06 6 0.1971874E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 1 0 0.2295374E-13 1 0.6963067E-02 2 0.3750266E-02 3 0.3057697E-03 4 0.1589185E-04 5 0.7978720E-07 6 0.7179108E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 2 0 0.1750620E-15 1 0.4639946E-01 2 0.1530810E-01 3 0.8415890E-03 4 0.2741287E-04 5 0.1945813E-06 6 0.8898023E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 3 0 0.3368337E+00 1 0.3878517E+00 2 0.5502390E-01 3 0.3449448E-02 4 0.1070499E-03 5 0.7587355E-06 6 0.6236991E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 4 0 0.4146051E-15 1 0.6691552E-01 2 0.4022472E-01 3 0.3044158E-02 4 0.7730648E-04 5 0.5443346E-06 6 0.5994302E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 5 0 0.2324964E-13 1 0.2272659E-02 2 0.1093092E-01 3 0.2494669E-02 4 0.9974957E-04 5 0.4301692E-06 6 0.3551866E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 6 0 0.5116829E-06 1 0.5435886E-04 2 0.8087644E-03 3 0.5029271E-03 4 0.3169617E-04 5 0.6974175E-06 6 0.3773081E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 7 0 0.3580678E-14 1 0.6683232E-06 2 0.2279650E-04 3 0.3473328E-04 4 0.3269655E-05 5 0.1288118E-06 6 0.9792505E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 8 0 0.8397465E-16 1 0.1684818E-07 2 0.2407318E-06 3 0.6713777E-06 4 0.1385779E-06 5 0.4758848E-07 6 0.1038469E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 -10 0 0.1922371E-19 1 0.4891610E-14 2 0.5965698E-16 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 0.1269333E-13 1 0.6255584E-14 2 0.4941272E-16 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 0.1587296E-19 1 0.4654414E-13 2 0.4373060E-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 -7 0 0.7201541E-19 1 0.5878121E-14 2 0.5633332E-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 -6 0 0.9678092E-13 1 0.9916723E-12 2 0.1148304E-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 -5 0 0.1048106E-18 1 0.7144969E-11 2 0.3723987E-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 -4 0 0.3929065E-19 1 0.2771352E-09 2 0.1054462E-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 -3 0 0.4452374E-08 1 0.2765428E-09 2 0.1641942E-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 0.1487563E-19 1 0.1474283E-09 2 0.1939939E-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 0.6187671E-20 1 0.8620353E-09 2 0.3063911E-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 0.1958965E-08 1 0.4706005E-08 2 0.2121927E-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 1 0 0.4029957E-19 1 0.3621952E-07 2 0.6093115E-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 0.3573042E-18 1 0.2183178E-06 2 0.3164372E-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 3 0 0.1651339E-06 1 0.1278605E-06 2 0.3703524E-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 0.8170118E-19 1 0.5186080E-06 2 0.1787868E-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 5 0 0.2600898E-18 1 0.7905170E-07 2 0.2879395E-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 0.1308584E-07 1 0.5559377E-08 2 0.1102281E-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 7 0 0.4408561E-18 1 0.4679687E-08 2 0.1561174E-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 8 0 0.1129967E-19 1 0.2695369E-09 2 0.1464690E-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 0.1620134E-08 1 0.1319307E-08 2 0.9912779E-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 10 0 0.1331932E-19 1 0.5059510E-10 2 0.8171359E-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 0 0 0 0.5778160E-08 1 0.1063291E-04 2 0.3347376E-05 3 0.4786493E-06 4 0.2635462E-07 5 0.2024754E-07 6 0.5136036E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 2 -2 0 0.2605704E-16 1 0.2507618E-08 2 0.3317557E-08 3 0.5366814E-09 4 0.1567361E-08 5 0.5662209E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 2 -1 0 0.9120405E-17 1 0.1968007E-07 2 0.3943904E-07 3 0.1142182E-07 4 0.1023101E-07 5 0.3310894E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 2 0 0 0.4231291E-08 1 0.4944588E-05 2 0.2545314E-06 3 0.6518066E-07 4 0.1735325E-07 5 0.4423599E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 2 1 0 0.2481839E-14 1 0.4485596E-05 2 0.1559668E-05 3 0.5730360E-06 4 0.8298867E-07 5 0.2108132E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 2 2 0 0.4131353E-16 1 0.1619796E-04 2 0.5774682E-05 3 0.8444194E-07 4 0.2395758E-07 5 0.4042378E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 -4 0 0.4458410E-18 1 0.2440700E-11 2 0.6054967E-10 3 0.1193411E-09 4 0.6818883E-10 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 -3 0 0.2453483E-10 1 0.4706783E-10 2 0.6846401E-10 3 0.4836610E-09 4 0.2439923E-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 -2 0 0.3942123E-17 1 0.4385119E-09 2 0.8277405E-09 3 0.2939829E-08 4 0.6921509E-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 -1 0 0.3274222E-17 1 0.9819869E-09 2 0.4489353E-08 3 0.7765131E-08 4 0.9669959E-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 0 0 0.7363476E-10 1 0.3916818E-07 2 0.5657976E-07 3 0.7645941E-08 4 0.6249544E-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 1 0 0.1674429E-15 1 0.1491695E-05 2 0.1334040E-06 3 0.8846872E-07 4 0.3613432E-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 0.3301410E-17 1 0.2302086E-04 2 0.2449590E-05 3 0.8041865E-08 4 0.5386834E-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 0.2003993E-04 1 0.4584067E-04 2 0.6930842E-05 3 0.1611581E-06 4 0.1260637E-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 0.2455934E-18 1 0.2241986E-05 2 0.1417635E-05 3 0.3950161E-07 4 0.1458298E-08 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 sum of the probabilities = 1.0022849 average vibrational energy (ev) = 0.000078 average rotational energy (ev) = 0.491091 average diffraction energy (ev) = 0.008579 the reaction probability = -0.2284877D-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 0.9950209E+00 0.1081558E-01 0.4856924E+00 1 0.1394385E-02 0.1405957E-01 0.1316951E+00 2 0.0000000E+00 0.0000000E+00 0.0000000E+00 ************************************ diffraction summed probabilities ************************************ v irot j m probability 0 43 0 0 0.2929168E-03 0 31 2 -2 0.9218584E-05 0 37 2 -1 0.1688227E-03 0 44 2 0 0.4553232E-03 0 50 2 1 0.8312557E-03 0 56 2 2 0.9780755E-04 0 21 4 -4 0.1221786E-05 0 26 4 -3 0.1421798E-04 0 32 4 -2 0.1131016E-03 0 38 4 -1 0.4106625E-03 0 45 4 0 0.2740283E-03 0 51 4 1 0.2123874E-02 0 57 4 2 0.2103714E-02 0 62 4 3 0.4739452E-03 0 67 4 4 0.3271199E-04 0 13 6 -6 0.5212829E-08 0 17 6 -5 0.5050627E-07 0 22 6 -4 0.7635860E-06 0 27 6 -3 0.6423627E-05 0 33 6 -2 0.3065029E-04 0 39 6 -1 0.6103195E-04 0 46 6 0 0.1137027E-02 0 52 6 1 0.3010491E-02 0 58 6 2 0.1331667E-01 0 63 6 3 0.1133360E-01 0 68 6 4 0.2821722E-02 0 72 6 5 0.4496002E-03 0 76 6 6 0.2343160E-03 0 7 8 -8 0.4250602E-10 0 10 8 -7 0.1884572E-09 0 14 8 -6 0.6372497E-09 0 18 8 -5 0.5748338E-08 0 23 8 -4 0.1933632E-07 0 28 8 -3 0.8075618E-06 0 34 8 -2 0.9193649E-06 0 40 8 -1 0.1653817E-03 0 47 8 0 0.1219268E-02 0 53 8 1 0.2106000E-01 0 59 8 2 0.1092768E+00 0 64 8 3 0.5955527E+00 0 69 8 4 0.1752740E+00 0 73 8 5 0.4344528E-01 0 77 8 6 0.8317970E-02 0 80 8 7 0.8564452E-03 0 83 8 8 0.3417358E-04 0 3 10 -10 0.1625182E-12 0 5 10 -9 0.1180759E-12 0 8 10 -8 0.4453948E-12 0 11 10 -7 0.1141776E-11 0 15 10 -6 0.1040994E-10 0 19 10 -5 0.3238618E-09 0 24 10 -4 0.2390318E-08 0 29 10 -3 0.1162181E-07 0 35 10 -2 0.2644420E-08 0 41 10 -1 0.3420409E-07 0 48 10 0 0.9602716E-07 0 54 10 1 0.2950432E-06 0 60 10 2 0.8227668E-06 0 65 10 3 0.5604269E-05 0 70 10 4 0.3402541E-05 0 74 10 5 0.1145759E-05 0 78 10 6 0.2038331E-06 0 81 10 7 0.3254052E-06 0 84 10 8 0.8330096E-08 0 86 10 9 0.6021922E-08 0 88 10 10 0.1312441E-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 0.3645330E-04 1 31 2 -2 0.8592663E-07 1 37 2 -1 0.1593204E-05 1 44 2 0 0.1489967E-04 1 50 2 1 0.5107947E-04 1 56 2 2 0.3566687E-04 1 21 4 -4 0.1154625E-08 1 26 4 -3 0.4110165E-08 1 32 4 -2 0.1646209E-07 1 38 4 -1 0.6708147E-07 1 45 4 0 0.8152532E-06 1 51 4 1 0.9438647E-05 1 57 4 2 0.3041630E-03 1 62 4 3 0.6702359E-03 1 67 4 4 0.2695701E-03 1 13 6 -6 0.3579379E-12 1 17 6 -5 0.1021534E-11 1 22 6 -4 0.7575032E-11 1 27 6 -3 0.3439705E-09 1 33 6 -2 0.1072841E-09 1 39 6 -1 0.5111000E-08 1 46 6 0 0.3557918E-08 1 52 6 1 0.4488246E-08 1 58 6 2 0.7980466E-08 1 63 6 3 0.2475166E-06 1 68 6 4 0.2202350E-07 1 72 6 5 0.3160878E-08 1 76 6 6 0.6652108E-09 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 0.3681825E-07 1 0.1271843E-04 2 0.1679324E-03 3 0.1082921E-03 4 0.3504752E-05 5 0.3085968E-06 6 0.9552530E-07 7 0.1600029E-07 8 0.8189288E-08 9 0.3970325E-08 v, j, mj = 0 2 -2 0 0.3825702E-15 1 0.1135364E-07 2 0.1861608E-05 3 0.5828391E-05 4 0.1406528E-05 5 0.5670570E-07 6 0.4359202E-07 7 0.6455327E-08 8 0.3396047E-08 9 0.5529228E-09 v, j, mj = 0 2 -1 0 0.1078763E-13 1 0.7825798E-06 2 0.6716443E-04 3 0.9224083E-04 4 0.8240100E-05 5 0.3235337E-06 6 0.5433544E-07 7 0.1278473E-07 8 0.3055506E-08 9 0.1044684E-08 v, j, mj = 0 2 0 0 0.6300101E-07 1 0.1584493E-04 2 0.2384583E-03 3 0.1916039E-03 4 0.8934284E-05 5 0.2824999E-06 6 0.6628600E-07 7 0.5416899E-07 8 0.1225437E-07 9 0.3654116E-08 v, j, mj = 0 2 1 0 0.7739756E-13 1 0.2270180E-03 2 0.5734552E-03 3 0.2617984E-04 4 0.3962036E-05 5 0.2713148E-06 6 0.3086883E-06 7 0.5467776E-07 8 0.4228851E-08 9 0.1655653E-08 v, j, mj = 0 2 2 0 0.1725773E-14 1 0.7657106E-04 2 0.3858071E-05 3 0.1643985E-04 4 0.5952167E-06 5 0.1307604E-06 6 0.1497122E-06 7 0.5261756E-07 8 0.9788378E-08 9 0.4724363E-09 v, j, mj = 0 4 -4 0 0.3819734E-14 1 0.9639935E-08 2 0.2075711E-07 3 0.3582849E-06 4 0.6398686E-06 5 0.1733268E-06 6 0.1400981E-07 7 0.3647576E-08 8 0.1114697E-08 9 0.1136654E-08 v, j, mj = 0 4 -3 0 0.1486431E-07 1 0.2405875E-07 2 0.8319555E-06 3 0.8116212E-05 4 0.4697525E-05 5 0.5050690E-06 6 0.1683714E-07 7 0.6186360E-08 8 0.3326743E-08 9 0.1949303E-08 v, j, mj = 0 4 -2 0 0.2183168E-14 1 0.1083414E-06 2 0.2248151E-04 3 0.7081181E-04 4 0.1917850E-04 5 0.4167328E-06 6 0.8932522E-07 7 0.1211301E-07 8 0.2557532E-08 9 0.7367730E-09 v, j, mj = 0 4 -1 0 0.9417936E-13 1 0.3074456E-05 2 0.1427020E-03 3 0.2303686E-03 4 0.3408293E-04 5 0.3008325E-06 6 0.1138689E-06 7 0.1574657E-07 8 0.3045240E-08 9 0.1063863E-08 v, j, mj = 0 4 0 0 0.3091432E-08 1 0.7184868E-05 2 0.6721758E-04 3 0.1684214E-03 4 0.3004202E-04 5 0.1017095E-05 6 0.1181875E-06 7 0.1926881E-07 8 0.4148780E-08 9 0.6207576E-09 v, j, mj = 0 4 1 0 0.8257704E-13 1 0.5830110E-03 2 0.1415670E-02 3 0.1003803E-03 4 0.2206821E-04 5 0.2413421E-05 6 0.2983184E-06 7 0.2846924E-07 8 0.3121267E-08 9 0.1378119E-08 v, j, mj = 0 4 2 0 0.7880450E-14 1 0.1791112E-02 2 0.1747438E-03 3 0.1135071E-03 4 0.2122149E-04 5 0.2872942E-05 6 0.2359398E-06 7 0.1659812E-07 8 0.2201651E-08 9 0.1599185E-08 v, j, mj = 0 4 3 0 0.1850637E-03 1 0.5230986E-04 2 0.2197559E-03 3 0.1087105E-04 4 0.3309948E-05 5 0.1818570E-05 6 0.7821749E-06 7 0.3172207E-07 8 0.1558435E-08 9 0.7306016E-09 v, j, mj = 0 4 4 0 0.3460086E-15 1 0.1670262E-04 2 0.7226782E-05 3 0.6814725E-05 4 0.4258868E-06 5 0.1026263E-05 6 0.4662396E-06 7 0.4627617E-07 8 0.2372160E-08 9 0.8222201E-09 v, j, mj = 0 6 -6 0 0.2196726E-12 1 0.1888442E-10 2 0.4423139E-09 3 0.9565186E-09 4 0.1531337E-08 5 0.6799049E-09 6 0.1389951E-09 7 0.3526504E-09 8 0.9904104E-09 9 0.1015950E-09 v, j, mj = 0 6 -5 0 0.5399465E-14 1 0.2846625E-08 2 0.4954480E-08 3 0.1319982E-07 4 0.1788546E-07 5 0.6270134E-08 6 0.1461618E-08 7 0.1146742E-08 8 0.2475637E-08 9 0.2657446E-09 v, j, mj = 0 6 -4 0 0.6415229E-14 1 0.3033703E-07 2 0.4084482E-07 3 0.3675797E-06 4 0.2662584E-06 5 0.4654703E-07 6 0.3851977E-08 7 0.4792305E-08 8 0.3093500E-08 9 0.2812828E-09 v, j, mj = 0 6 -3 0 0.1310596E-06 1 0.2394070E-07 2 0.9007411E-06 3 0.3446420E-05 4 0.1783742E-05 5 0.1171217E-06 6 0.1386465E-07 7 0.4018517E-08 8 0.2605496E-08 9 0.1136256E-09 v, j, mj = 0 6 -2 0 0.6532146E-14 1 0.7879316E-07 2 0.7944020E-05 3 0.1823259E-04 4 0.4193706E-05 5 0.1516797E-06 6 0.2208725E-07 7 0.2306207E-07 8 0.4219275E-08 9 0.1327120E-09 v, j, mj = 0 6 -1 0 0.2065375E-12 1 0.4069920E-05 2 0.7775588E-05 3 0.4073258E-04 4 0.7839248E-05 5 0.5723688E-06 6 0.3575790E-07 7 0.4536686E-08 8 0.1801966E-08 9 0.1492791E-09 v, j, mj = 0 6 0 0 0.3109952E-07 1 0.1391470E-03 2 0.7899744E-03 3 0.1952682E-03 4 0.1196768E-04 5 0.5833591E-06 6 0.2523031E-07 7 0.2364618E-07 8 0.5149965E-08 9 0.8732710E-09 v, j, mj = 0 6 1 0 0.2614615E-11 1 0.5315410E-03 2 0.2172839E-02 3 0.2780941E-03 4 0.2707575E-04 5 0.8281466E-06 6 0.9668801E-07 7 0.9430988E-08 8 0.6355374E-08 9 0.2038066E-09 v, j, mj = 0 6 2 0 0.2355236E-14 1 0.1114260E-01 2 0.1573115E-02 3 0.5426330E-03 4 0.5721917E-04 5 0.1039820E-05 6 0.5070964E-07 7 0.7391300E-08 8 0.2733216E-08 9 0.2173958E-09 v, j, mj = 0 6 3 0 0.5400909E-02 1 0.1257041E-02 2 0.3632575E-02 3 0.1008909E-02 4 0.3322655E-04 5 0.8377581E-06 6 0.8769344E-07 7 0.8662075E-08 8 0.5181699E-08 9 0.2989614E-09 v, j, mj = 0 6 4 0 0.9671932E-14 1 0.1034650E-02 2 0.6995168E-03 3 0.8628957E-03 4 0.2107003E-03 5 0.1377127E-04 6 0.1625203E-06 7 0.2321315E-07 8 0.1662823E-08 9 0.3776959E-09 v, j, mj = 0 6 5 0 0.1209320E-12 1 0.2156606E-04 2 0.8431386E-04 3 0.2655287E-03 4 0.7171771E-04 5 0.6207410E-05 6 0.2526451E-06 7 0.6989033E-08 8 0.6438165E-08 9 0.3819837E-09 v, j, mj = 0 6 6 0 0.2218232E-07 1 0.8009830E-06 2 0.2938776E-04 3 0.1154214E-03 4 0.7434754E-04 5 0.1374147E-04 6 0.5861470E-06 7 0.6329769E-08 8 0.2047216E-08 9 0.1087632E-09 v, j, mj = 0 8 -8 0 0.4668107E-15 1 0.1243843E-11 2 0.1508351E-11 3 0.3088291E-11 4 0.3372842E-11 5 0.6543385E-11 6 0.1648665E-10 7 0.1026220E-10 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -7 0 0.1127356E-14 1 0.4163718E-12 2 0.2413779E-10 3 0.8834176E-11 4 0.2048435E-10 5 0.3704430E-10 6 0.5923760E-10 7 0.3830147E-10 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -6 0 0.1101784E-11 1 0.5171914E-11 2 0.3661375E-10 3 0.7552053E-10 4 0.6572821E-10 5 0.2679280E-09 6 0.1524376E-09 7 0.3274793E-10 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -5 0 0.4525723E-14 1 0.9168617E-09 2 0.1557794E-08 3 0.8963003E-09 4 0.7417899E-09 5 0.7357358E-09 6 0.8788926E-09 7 0.2095892E-10 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -4 0 0.6342542E-14 1 0.3161825E-08 2 0.1543329E-08 3 0.8224206E-08 4 0.2751355E-08 5 0.3162961E-08 6 0.4692040E-09 7 0.2343779E-10 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -3 0 0.2102178E-06 1 0.5629852E-07 2 0.3227862E-06 3 0.1747158E-06 4 0.3179104E-07 5 0.7795121E-08 6 0.3781521E-08 7 0.1759335E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -2 0 0.6521943E-14 1 0.1515344E-06 2 0.6274207E-06 3 0.8261814E-07 4 0.3674465E-07 5 0.1654408E-07 6 0.4203182E-08 7 0.2997542E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -1 0 0.1585424E-13 1 0.3554754E-04 2 0.1126889E-03 3 0.1539378E-04 4 0.1689470E-05 5 0.5657774E-07 6 0.4477185E-08 7 0.1018695E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 0 0 0.3938451E-06 1 0.3015336E-03 2 0.8168782E-03 3 0.9776270E-04 4 0.2471699E-05 5 0.2015856E-06 6 0.2470513E-07 7 0.1989570E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 1 0 0.6068230E-12 1 0.1303578E-01 2 0.7479552E-02 3 0.5077440E-03 4 0.3645326E-04 5 0.4114847E-06 6 0.4919927E-07 7 0.7630476E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 2 0 0.1079938E-14 1 0.8796502E-01 2 0.1993481E-01 3 0.1280500E-02 4 0.9535157E-04 5 0.1093687E-05 6 0.2325765E-07 7 0.1072349E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 3 0 0.2834459E+00 1 0.2748196E+00 2 0.3166740E-01 3 0.5356330E-02 4 0.2597168E-03 5 0.3656827E-05 6 0.1195157E-06 7 0.2134708E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 4 0 0.4493164E-14 1 0.1086514E+00 2 0.6169327E-01 3 0.4635922E-02 4 0.2891002E-03 5 0.4258742E-05 6 0.5686759E-07 7 0.2500363E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 5 0 0.5146942E-12 1 0.4238921E-02 2 0.2982839E-01 3 0.8867968E-02 4 0.5035105E-03 5 0.6452756E-05 6 0.3219532E-07 7 0.7540088E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 6 0 0.4904403E-06 1 0.2727651E-03 2 0.3885032E-02 3 0.3734198E-02 4 0.4182449E-03 5 0.7075478E-05 6 0.1616066E-06 7 0.2851668E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 7 0 0.9289965E-13 1 0.9893485E-06 2 0.2311291E-03 3 0.5170318E-03 4 0.1044576E-03 5 0.2723670E-05 6 0.1116705E-06 7 0.2069269E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 8 0 0.2623691E-14 1 0.1916367E-06 2 0.5035803E-05 3 0.2121736E-04 4 0.7459836E-05 5 0.2330790E-06 6 0.3364668E-07 7 0.2222720E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 -10 0 0.1117619E-18 1 0.4702395E-13 2 0.2379388E-13 3 0.9170030E-13 4 0.0000000E+00 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 0.5590949E-14 1 0.1728845E-13 2 0.5190023E-13 3 0.4329623E-13 4 0.0000000E+00 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 0.4494277E-19 1 0.3141309E-13 2 0.3472028E-12 3 0.6677889E-13 4 0.0000000E+00 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 0.2348181E-18 1 0.4840270E-12 2 0.4050775E-12 3 0.2526711E-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 -6 0 0.2966717E-12 1 0.1140941E-11 2 0.2565427E-11 3 0.6406901E-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 -5 0 0.9911074E-18 1 0.8799711E-11 2 0.1175714E-09 3 0.1974907E-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 -4 0 0.9249209E-18 1 0.3433910E-10 2 0.1472693E-08 3 0.8832855E-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 0.1122895E-08 1 0.2802381E-08 2 0.7237378E-08 3 0.4591584E-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 0.1024497E-17 1 0.5886578E-09 2 0.1506946E-08 3 0.5488163E-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 -1 0 0.1479796E-17 1 0.2114047E-07 2 0.8187259E-08 3 0.4876361E-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 0.3875073E-08 1 0.1458849E-07 2 0.3990924E-07 3 0.3765435E-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 0.1818117E-17 1 0.1539045E-06 2 0.6664481E-07 3 0.7449394E-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 0.1017244E-18 1 0.2529865E-06 2 0.5148860E-06 3 0.5489425E-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 3 0 0.2184467E-05 1 0.2269947E-05 2 0.1071377E-05 3 0.7847848E-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 4 0 0.5749277E-18 1 0.1975488E-05 2 0.1231516E-05 3 0.1955370E-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 5 0 0.1727197E-16 1 0.5843124E-06 2 0.4749335E-06 3 0.8651334E-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 6 0 0.1502431E-07 1 0.4241542E-07 2 0.4438557E-07 3 0.1020078E-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 7 0 0.3344837E-17 1 0.2840261E-06 2 0.3874788E-07 3 0.2631177E-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 0.3030944E-18 1 0.2122218E-08 2 0.3430720E-08 3 0.2777158E-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 9 0 0.4343031E-09 1 0.2593803E-09 2 0.4227482E-08 3 0.1100756E-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 10 0 0.3354849E-19 1 0.1671179E-09 2 0.7797799E-09 3 0.3655433E-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 0 0 0 0.6095970E-08 1 0.6654728E-05 2 0.2313787E-04 3 0.6224752E-05 4 0.4050822E-06 5 0.1589171E-07 6 0.8782796E-08 7 0.9080321E-10 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 2 -2 0 0.9032430E-15 1 0.1517208E-07 2 0.2696034E-07 3 0.2386119E-07 4 0.8318729E-08 5 0.8239056E-08 6 0.3375228E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 2 -1 0 0.2411010E-14 1 0.1104935E-06 2 0.6402310E-06 3 0.7554270E-06 4 0.7659054E-07 5 0.7069199E-08 6 0.3392968E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 2 0 0 0.3761398E-08 1 0.9026292E-05 2 0.4234489E-05 3 0.1520820E-05 4 0.9288617E-07 5 0.1031283E-07 6 0.1110352E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 2 1 0 0.2571665E-13 1 0.2471735E-04 2 0.1854618E-04 3 0.7208198E-05 4 0.5799551E-06 5 0.2357242E-07 6 0.4212080E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 2 2 0 0.8958087E-15 1 0.3423719E-05 2 0.2991672E-04 3 0.1957221E-05 4 0.3464046E-06 5 0.1941134E-07 6 0.3394837E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 -4 0 0.3892545E-16 1 0.1541172E-09 2 0.2089549E-09 3 0.2894560E-09 4 0.3868577E-09 5 0.1152391E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 -3 0 0.1328418E-09 1 0.2283010E-09 2 0.1302565E-08 3 0.2071699E-09 4 0.2052457E-08 5 0.1868303E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 -2 0 0.1131881E-15 1 0.7907301E-08 2 0.5005367E-08 3 0.8903895E-09 4 0.2505664E-08 5 0.1533699E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 -1 0 0.9428720E-17 1 0.3688680E-08 2 0.3828652E-07 3 0.1473743E-07 4 0.1013478E-07 5 0.2340641E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 0 0 0.6056103E-08 1 0.7309793E-07 2 0.6193732E-06 3 0.1129132E-06 4 0.3255533E-08 5 0.5572544E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 1 0 0.1026941E-13 1 0.8028692E-05 2 0.8960481E-06 3 0.4645252E-06 4 0.4592692E-07 5 0.3454075E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 2 0 0.1335310E-15 1 0.2434970E-03 2 0.6029248E-04 3 0.3673897E-06 4 0.4689447E-08 5 0.1441884E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 3 0 0.1217050E-03 1 0.4377497E-03 2 0.1085072E-03 3 0.2262554E-05 4 0.1042230E-07 5 0.1025062E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 4 0 0.3998603E-16 1 0.1279992E-03 2 0.1293483E-03 3 0.1211201E-04 4 0.1086252E-06 5 0.1971945E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 6 -6 0 0.1639483E-13 1 0.3002266E-12 2 0.4131642E-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 = 1 6 -5 0 0.7163262E-18 1 0.8887461E-12 2 0.1327870E-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 0.9820505E-19 1 0.5893977E-11 2 0.1681055E-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 0.1766350E-09 1 0.1504616E-09 2 0.1687386E-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 0.4573143E-19 1 0.9207881E-10 2 0.1520525E-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 0.7447770E-19 1 0.4957590E-08 2 0.1534105E-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 0.4252338E-09 1 0.3120671E-08 2 0.1201397E-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 0.2639912E-18 1 0.4442837E-08 2 0.4540910E-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 0.6848346E-19 1 0.5598629E-08 2 0.2381837E-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 0.1607640E-06 1 0.8492421E-07 2 0.1828410E-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 4 0 0.2784489E-18 1 0.1980865E-07 2 0.2214846E-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 5 0 0.1184014E-17 1 0.2855739E-08 2 0.3051392E-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 6 0 0.7235605E-10 1 0.1669488E-09 2 0.4259060E-09 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 sum of the probabilities = 0.9964153 average vibrational energy (ev) = 0.000713 average rotational energy (ev) = 0.485197 average diffraction energy (ev) = 0.010820 the reaction probability = 0.3584686D-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 0.9930432E+00 0.1400948E-01 0.4767990E+00 1 0.4224976E-02 0.2231139E-01 0.1287755E+00 2 0.0000000E+00 0.0000000E+00 0.0000000E+00 ************************************ diffraction summed probabilities ************************************ v irot j m probability 0 43 0 0 0.8030451E-03 0 31 2 -2 0.4343724E-04 0 37 2 -1 0.6222323E-03 0 44 2 0 0.1386142E-02 0 50 2 1 0.1862734E-02 0 56 2 2 0.2959453E-03 0 21 4 -4 0.5850609E-05 0 26 4 -3 0.6799237E-04 0 32 4 -2 0.4667181E-03 0 38 4 -1 0.1383718E-02 0 45 4 0 0.6819125E-03 0 51 4 1 0.4718158E-02 0 57 4 2 0.4000323E-02 0 62 4 3 0.1200424E-02 0 67 4 4 0.1470995E-03 0 13 6 -6 0.5953001E-07 0 17 6 -5 0.5099594E-06 0 22 6 -4 0.7253053E-05 0 27 6 -3 0.5093582E-04 0 33 6 -2 0.1935666E-03 0 39 6 -1 0.3564866E-03 0 46 6 0 0.3418114E-02 0 52 6 1 0.7254249E-02 0 58 6 2 0.2150724E-01 0 63 6 3 0.1637295E-01 0 68 6 4 0.6684141E-02 0 72 6 5 0.7340105E-03 0 76 6 6 0.2657317E-03 0 7 8 -8 0.1796687E-09 0 10 8 -7 0.6683084E-09 0 14 8 -6 0.3228748E-08 0 18 8 -5 0.1791903E-07 0 23 8 -4 0.1212687E-06 0 28 8 -3 0.2995937E-05 0 34 8 -2 0.6106549E-05 0 40 8 -1 0.5443553E-03 0 47 8 0 0.3918841E-02 0 53 8 1 0.3553467E-01 0 59 8 2 0.1491357E+00 0 64 8 3 0.4050323E+00 0 69 8 4 0.2018678E+00 0 73 8 5 0.8438934E-01 0 77 8 6 0.2958465E-01 0 80 8 7 0.7373817E-02 0 83 8 8 0.9670164E-03 0 3 10 -10 0.9208025E-12 0 5 10 -9 0.1389404E-11 0 8 10 -8 0.4866099E-11 0 11 10 -7 0.1120629E-10 0 15 10 -6 0.7087677E-10 0 19 10 -5 0.9654153E-09 0 24 10 -4 0.3143254E-08 0 29 10 -3 0.1289255E-07 0 35 10 -2 0.1085039E-07 0 41 10 -1 0.6968250E-07 0 48 10 0 0.2068972E-06 0 54 10 1 0.2809135E-05 0 60 10 2 0.5233796E-05 0 65 10 3 0.1099352E-03 0 70 10 4 0.3270866E-04 0 74 10 5 0.2561020E-05 0 78 10 6 0.4796610E-06 0 81 10 7 0.4008985E-06 0 84 10 8 0.3428751E-07 0 86 10 9 0.5237635E-07 0 88 10 10 0.1790066E-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 0.5227043E-04 1 31 2 -2 0.5405809E-05 1 37 2 -1 0.2169936E-04 1 44 2 0 0.6790817E-04 1 50 2 1 0.3474630E-03 1 56 2 2 0.8814786E-04 1 21 4 -4 0.1113042E-07 1 26 4 -3 0.2885406E-07 1 32 4 -2 0.8481093E-07 1 38 4 -1 0.5965621E-06 1 45 4 0 0.2229503E-04 1 51 4 1 0.8746058E-04 1 57 4 2 0.1036427E-02 1 62 4 3 0.4891818E-03 1 67 4 4 0.1998530E-02 1 13 6 -6 0.1787842E-10 1 17 6 -5 0.5786663E-10 1 22 6 -4 0.1124258E-09 1 27 6 -3 0.9412448E-09 1 33 6 -2 0.1419829E-08 1 39 6 -1 0.7830188E-08 1 46 6 0 0.1775745E-07 1 52 6 1 0.1289647E-06 1 58 6 2 0.1827342E-05 1 63 6 3 0.4547551E-05 1 68 6 4 0.8227758E-06 1 72 6 5 0.6755349E-07 1 76 6 6 0.4369368E-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 0.6287188E-07 1 0.3034091E-04 2 0.4214773E-03 3 0.3156765E-03 4 0.3276236E-04 5 0.2091449E-05 6 0.4574368E-06 7 0.1484183E-06 8 0.2390000E-07 9 0.3919536E-08 v, j, mj = 0 2 -2 0 0.1195928E-13 1 0.5597647E-07 2 0.9581350E-05 3 0.2732205E-04 4 0.5864804E-05 5 0.4355438E-06 6 0.1173428E-06 7 0.4282848E-07 8 0.1618456E-07 9 0.1160049E-08 v, j, mj = 0 2 -1 0 0.2785640E-12 1 0.2568711E-05 2 0.2311978E-03 3 0.3442030E-03 4 0.4142479E-04 5 0.2689544E-05 6 0.1096402E-06 7 0.2960263E-07 8 0.7534736E-08 9 0.1624373E-08 v, j, mj = 0 2 0 0 0.1133055E-06 1 0.3958937E-04 2 0.6288365E-03 3 0.6565959E-03 4 0.5902815E-04 5 0.1572493E-05 6 0.2747163E-06 7 0.9974021E-07 8 0.2689124E-07 9 0.4778699E-08 v, j, mj = 0 2 1 0 0.3042331E-12 1 0.5008308E-03 2 0.1258770E-02 3 0.7539366E-04 4 0.2352049E-04 5 0.2663482E-05 6 0.1145951E-05 7 0.3752398E-06 8 0.3133608E-07 9 0.3759338E-08 v, j, mj = 0 2 2 0 0.9527738E-15 1 0.2081520E-03 2 0.3160058E-04 3 0.5189142E-04 4 0.1709646E-05 5 0.9118801E-06 6 0.1001547E-05 7 0.5595379E-06 8 0.1131047E-06 9 0.5640182E-08 v, j, mj = 0 4 -4 0 0.8150044E-14 1 0.2035228E-07 2 0.1301721E-06 3 0.1864611E-05 4 0.3231416E-05 5 0.4682205E-06 6 0.1072549E-06 7 0.2465735E-07 8 0.2586564E-08 9 0.1337962E-08 v, j, mj = 0 4 -3 0 0.8955802E-07 1 0.2270218E-06 2 0.4027728E-05 3 0.4399120E-04 4 0.1893051E-04 5 0.6841716E-06 6 0.3259821E-07 7 0.4769425E-08 8 0.3127501E-08 9 0.1678791E-08 v, j, mj = 0 4 -2 0 0.6752405E-14 1 0.7342885E-06 2 0.1026606E-03 3 0.3057257E-03 4 0.5695422E-04 5 0.4758882E-06 6 0.1349724E-06 7 0.2804529E-07 8 0.3157763E-08 9 0.1205611E-08 v, j, mj = 0 4 -1 0 0.3177049E-12 1 0.8975928E-05 2 0.5023369E-03 3 0.7789436E-03 4 0.9296313E-04 5 0.3490492E-06 6 0.1281023E-06 7 0.1371013E-07 8 0.6671984E-08 9 0.1092822E-08 v, j, mj = 0 4 0 0 0.3015771E-07 1 0.2299068E-04 2 0.1750841E-03 3 0.4318106E-03 4 0.5124078E-04 5 0.4301233E-06 6 0.2844547E-06 7 0.3268051E-07 8 0.7757283E-08 9 0.1216612E-08 v, j, mj = 0 4 1 0 0.5161286E-12 1 0.1194575E-02 2 0.3317655E-02 3 0.1408612E-03 4 0.6086268E-04 5 0.3428805E-05 6 0.7202501E-06 7 0.4603047E-07 8 0.7611448E-08 9 0.1327742E-08 v, j, mj = 0 4 2 0 0.5816608E-13 1 0.3482429E-02 2 0.2401454E-03 3 0.2370031E-03 4 0.3550928E-04 5 0.4418880E-05 6 0.7095991E-06 7 0.9997022E-07 8 0.6389751E-08 9 0.1651737E-08 v, j, mj = 0 4 3 0 0.5092513E-03 1 0.6857226E-04 2 0.5958983E-03 3 0.8691943E-05 4 0.5004730E-05 5 0.8352847E-05 6 0.4193220E-05 7 0.4496024E-06 8 0.8621684E-08 9 0.1501245E-08 v, j, mj = 0 4 4 0 0.7956062E-14 1 0.2731215E-04 2 0.6114334E-04 3 0.5020570E-04 4 0.2029385E-05 5 0.3390454E-05 6 0.2406239E-05 7 0.5868945E-06 8 0.2444759E-07 9 0.9049905E-09 v, j, mj = 0 6 -6 0 0.6795831E-10 1 0.2094702E-08 2 0.8553307E-08 3 0.1101790E-07 4 0.2084562E-07 5 0.1271569E-07 6 0.2429763E-08 7 0.3637723E-09 8 0.4452361E-09 9 0.9960655E-09 v, j, mj = 0 6 -5 0 0.1607307E-13 1 0.2144146E-07 2 0.2113392E-07 3 0.1365104E-06 4 0.2708881E-06 5 0.5195547E-07 6 0.3176276E-08 7 0.1376845E-08 8 0.1902552E-08 9 0.1574324E-08 v, j, mj = 0 6 -4 0 0.1440164E-13 1 0.1946509E-06 2 0.2385490E-06 3 0.3874561E-05 4 0.2646873E-05 5 0.2759553E-06 6 0.1279817E-07 7 0.5627484E-08 8 0.2685894E-08 9 0.1351140E-08 v, j, mj = 0 6 -3 0 0.4593298E-06 1 0.1880877E-07 2 0.6824928E-05 3 0.3068359E-04 4 0.1244557E-04 5 0.4870172E-06 6 0.8362905E-08 7 0.4822551E-08 8 0.2815114E-08 9 0.5737794E-09 v, j, mj = 0 6 -2 0 0.2174481E-13 1 0.1698140E-06 2 0.4261318E-04 3 0.1200789E-03 4 0.3020029E-04 5 0.4500264E-06 6 0.2491165E-07 7 0.2363192E-07 8 0.5103121E-08 9 0.8099054E-09 v, j, mj = 0 6 -1 0 0.9579541E-12 1 0.1325970E-04 2 0.5859119E-04 3 0.2438213E-03 4 0.3996303E-04 5 0.8116795E-06 6 0.3236369E-07 7 0.4451495E-08 8 0.2431332E-08 9 0.4710580E-09 v, j, mj = 0 6 0 0 0.2292523E-06 1 0.4248254E-03 2 0.2462345E-02 3 0.4898128E-03 4 0.3949538E-04 5 0.1343171E-05 6 0.4480386E-07 7 0.1278552E-07 8 0.3657246E-08 9 0.1941949E-08 v, j, mj = 0 6 1 0 0.8432685E-11 1 0.9462139E-03 2 0.5390129E-02 3 0.8229287E-03 4 0.9313287E-04 5 0.1768270E-05 6 0.5807846E-07 7 0.7984766E-08 8 0.8517751E-08 9 0.7345906E-09 v, j, mj = 0 6 2 0 0.1319531E-13 1 0.1862227E-01 2 0.8405702E-03 3 0.1981987E-02 4 0.6146187E-04 5 0.6976194E-06 6 0.2417792E-06 7 0.6815578E-08 8 0.1947546E-08 9 0.7108231E-09 v, j, mj = 0 6 3 0 0.8841169E-02 1 0.7982525E-03 2 0.5929828E-02 3 0.7355437E-03 4 0.5516328E-04 5 0.1224916E-04 6 0.7168742E-06 7 0.2126390E-07 8 0.6588012E-08 9 0.7397164E-09 v, j, mj = 0 6 4 0 0.2464612E-13 1 0.3515472E-02 2 0.9204364E-03 3 0.1755410E-02 4 0.4543233E-03 5 0.3751423E-04 6 0.9526760E-06 7 0.2664082E-07 8 0.4806707E-08 9 0.1237756E-08 v, j, mj = 0 6 5 0 0.3135783E-12 1 0.1366528E-03 2 0.8834391E-04 3 0.3527144E-03 4 0.1237060E-03 5 0.2970015E-04 6 0.2834353E-05 7 0.4968935E-07 8 0.7514891E-08 9 0.1617676E-08 v, j, mj = 0 6 6 0 0.4517364E-07 1 0.5702928E-05 2 0.6199344E-04 3 0.1286465E-03 4 0.5325180E-04 5 0.1453534E-04 6 0.1517769E-05 7 0.3458911E-07 8 0.1980391E-08 9 0.2164846E-08 v, j, mj = 0 8 -8 0 0.3314255E-14 1 0.6215041E-11 2 0.1536128E-10 3 0.4499742E-10 4 0.1448050E-10 5 0.1375174E-10 6 0.2951986E-10 7 0.5533955E-10 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -7 0 0.5517694E-14 1 0.1582043E-10 2 0.7984145E-10 3 0.1683846E-09 4 0.1331763E-09 5 0.6719051E-10 6 0.9077858E-10 7 0.1131110E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -6 0 0.3664139E-11 1 0.8743432E-10 2 0.1314750E-08 3 0.3390864E-09 4 0.5577036E-09 5 0.3990340E-09 6 0.3689957E-09 7 0.1580796E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -5 0 0.1865126E-13 1 0.5051724E-08 2 0.3172758E-08 3 0.5123544E-08 4 0.2131865E-08 5 0.7484801E-09 6 0.1324274E-08 7 0.3663614E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -4 0 0.1884936E-13 1 0.3125404E-07 2 0.7430329E-08 3 0.4751120E-07 4 0.2659818E-07 5 0.7107529E-08 6 0.1230242E-08 7 0.1371531E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -3 0 0.9210763E-06 1 0.4402168E-07 2 0.9811286E-06 3 0.9751686E-06 4 0.5993802E-07 5 0.8605525E-08 6 0.5394567E-08 7 0.6032465E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -2 0 0.2736441E-13 1 0.3536760E-06 2 0.3883914E-05 3 0.1674621E-05 4 0.1518969E-06 5 0.3596757E-07 6 0.5249040E-08 7 0.1224080E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -1 0 0.2911574E-12 1 0.9902774E-04 2 0.3995593E-03 3 0.4458399E-04 4 0.1037281E-05 5 0.1274853E-06 6 0.1377433E-07 7 0.5754915E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 0 0 0.9345614E-06 1 0.9530625E-03 2 0.2823440E-02 3 0.1358499E-03 4 0.5172078E-05 5 0.3457939E-06 6 0.2952819E-07 7 0.6668114E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 1 0 0.7379530E-11 1 0.2422661E-01 2 0.1086802E-01 3 0.3588560E-03 4 0.7988234E-04 5 0.1251448E-05 6 0.3368114E-07 7 0.8406631E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 2 0 0.7818989E-14 1 0.1338718E+00 2 0.1246952E-01 3 0.2569153E-02 4 0.2203719E-03 5 0.4827409E-05 6 0.2370213E-07 7 0.9293455E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 3 0 0.2381328E+00 1 0.1374564E+00 2 0.2213565E-01 3 0.6968216E-02 4 0.3286453E-03 5 0.1026044E-04 6 0.2471372E-06 7 0.1243480E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 4 0 0.3295798E-13 1 0.1413620E+00 2 0.5481971E-01 3 0.4746511E-02 4 0.9101669E-03 5 0.2924992E-04 6 0.1883530E-06 7 0.6429956E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 5 0 0.5141608E-11 1 0.1212106E-01 2 0.5627548E-01 3 0.1483319E-01 4 0.1122854E-02 5 0.3637863E-04 6 0.3827065E-06 7 0.3922800E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 6 0 0.5007830E-06 1 0.1084805E-02 2 0.1258115E-01 3 0.1353034E-01 4 0.2307525E-02 5 0.7975732E-04 6 0.5639018E-06 7 0.7405578E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 7 0 0.1070903E-11 1 0.1937402E-04 2 0.1577217E-02 3 0.4214529E-02 4 0.1479702E-02 5 0.8237664E-04 6 0.5897824E-06 7 0.2758399E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 8 0 0.3749838E-13 1 0.1555669E-05 2 0.9491228E-04 3 0.5431013E-03 4 0.3046841E-03 5 0.2262081E-04 6 0.1329271E-06 7 0.9415596E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 -10 0 0.3108629E-18 1 0.1282224E-12 2 0.4231122E-12 3 0.6812796E-13 4 0.3013396E-12 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 0.9870768E-14 1 0.1333571E-12 2 0.1871662E-12 3 0.5097969E-12 4 0.5492131E-12 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 0.2386083E-17 1 0.4440875E-12 2 0.1404457E-11 3 0.1130859E-11 4 0.1886693E-11 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 -7 0 0.3601059E-17 1 0.2370452E-11 2 0.4724299E-11 3 0.2504953E-11 4 0.1606587E-11 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 -6 0 0.5468103E-12 1 0.4464995E-10 2 0.6674288E-11 3 0.1055474E-10 4 0.8450975E-11 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 -5 0 0.3043981E-16 1 0.3438394E-09 2 0.2386053E-09 3 0.2704103E-09 4 0.1125602E-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 0.4854947E-16 1 0.7821553E-09 2 0.1420740E-08 3 0.6137234E-09 4 0.3266359E-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 0.2785488E-08 1 0.4949542E-08 2 0.3437412E-08 3 0.8341885E-09 4 0.8859242E-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 0.1251422E-16 1 0.2192590E-08 2 0.4116009E-08 3 0.3617097E-08 4 0.9246966E-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 -1 0 0.1138580E-17 1 0.2049706E-07 2 0.1188129E-07 3 0.3398364E-07 4 0.3320508E-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 0.4954044E-08 1 0.6373026E-07 2 0.7081416E-07 3 0.6373775E-07 4 0.3660999E-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 1 0 0.6148409E-15 1 0.1274459E-05 2 0.1211795E-05 3 0.2865845E-06 4 0.3629651E-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 0.3422595E-17 1 0.3255173E-05 2 0.1877818E-05 3 0.7237184E-07 4 0.2843263E-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 0.5221676E-04 1 0.4992247E-04 2 0.6719709E-05 3 0.1041795E-05 4 0.3451493E-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 4 0 0.5394251E-16 1 0.2801186E-04 2 0.4213086E-05 3 0.4199344E-06 4 0.6377860E-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 5 0 0.1366749E-14 1 0.1777402E-05 2 0.6299122E-06 3 0.1276258E-06 4 0.2607978E-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 6 0 0.6583759E-08 1 0.4170994E-07 2 0.2077920E-06 3 0.1887950E-06 4 0.3478034E-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 7 0 0.2160193E-15 1 0.2662915E-07 2 0.2792341E-06 3 0.3497434E-07 4 0.6006090E-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 8 0 0.1017177E-16 1 0.1134214E-07 2 0.9579695E-08 3 0.7372679E-08 4 0.5992993E-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 9 0 0.7467727E-09 1 0.7965915E-09 2 0.3447047E-07 3 0.1025652E-07 4 0.6106004E-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 10 0 0.2758724E-17 1 0.8318985E-09 2 0.3178956E-08 3 0.6637707E-08 4 0.7252099E-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 0 0 0 0.6769633E-08 1 0.2687439E-05 2 0.4647494E-04 3 0.2476423E-05 4 0.5073057E-06 5 0.1032400E-06 6 0.1141500E-07 7 0.2905127E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 2 -2 0 0.7700036E-14 1 0.8335254E-07 2 0.1460671E-05 3 0.3082589E-05 4 0.7443772E-06 5 0.2986715E-07 6 0.4566997E-08 7 0.3853902E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 2 -1 0 0.1346200E-13 1 0.1022975E-05 2 0.1169342E-04 3 0.8340615E-05 4 0.6282541E-06 5 0.1189074E-07 6 0.1964090E-08 7 0.2449412E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 2 0 0 0.1562214E-07 1 0.7883719E-05 2 0.3904362E-04 3 0.1906407E-04 4 0.1815741E-05 5 0.8043871E-07 6 0.4390009E-08 7 0.5748648E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 2 1 0 0.1103115E-12 1 0.1238097E-03 2 0.1645327E-03 3 0.5516662E-04 4 0.3819098E-05 5 0.1237980E-06 6 0.1091741E-07 7 0.1210964E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 2 2 0 0.6092839E-14 1 0.7073549E-04 2 0.1107907E-04 3 0.1225197E-05 4 0.4588144E-05 5 0.5082661E-06 6 0.1100359E-07 7 0.6910738E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 -4 0 0.9871247E-15 1 0.1676869E-08 2 0.3710495E-08 3 0.1970447E-08 4 0.8324157E-09 5 0.2893131E-08 6 0.4706457E-10 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 -3 0 0.9490553E-08 1 0.2721629E-08 2 0.7058836E-08 3 0.2024853E-08 4 0.4699778E-08 5 0.2835286E-08 6 0.2312566E-10 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 -2 0 0.2634101E-15 1 0.4434116E-07 2 0.1419968E-07 3 0.7980816E-08 4 0.7133808E-08 5 0.1114077E-07 6 0.1469444E-10 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 -1 0 0.2194696E-14 1 0.2106340E-07 2 0.5647340E-07 3 0.4584150E-06 4 0.5641931E-07 5 0.4180931E-08 6 0.1012842E-10 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 0 0 0.2171504E-07 1 0.1939382E-05 2 0.1641105E-04 3 0.3812963E-05 4 0.9999606E-07 5 0.9890364E-08 6 0.4090705E-10 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 1 0 0.2092983E-12 1 0.3408897E-04 2 0.4307340E-04 3 0.9942627E-05 4 0.2971545E-06 5 0.5834112E-07 6 0.9671941E-10 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 2 0 0.9045546E-15 1 0.8034871E-03 2 0.2309772E-03 3 0.1686648E-05 4 0.2695106E-06 5 0.6304601E-08 6 0.1321355E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 3 0 0.2892459E-04 1 0.2803443E-03 2 0.1581482E-03 3 0.2077092E-04 4 0.9858609E-06 5 0.7901151E-08 6 0.2370610E-10 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 4 0 0.7253051E-15 1 0.6097474E-03 2 0.1092928E-02 3 0.2849573E-03 4 0.1084051E-04 5 0.5627016E-07 6 0.8819496E-10 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 6 -6 0 0.3718421E-12 1 0.6502051E-11 2 0.7276356E-11 3 0.3728173E-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 = 1 6 -5 0 0.1554165E-17 1 0.2106094E-10 2 0.1285842E-10 3 0.2394727E-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 6 -4 0 0.6748993E-18 1 0.9239823E-11 2 0.6741698E-10 3 0.3576901E-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 6 -3 0 0.9946850E-10 1 0.3233993E-09 2 0.3860594E-09 3 0.1323176E-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 0.3372168E-17 1 0.1117924E-09 2 0.7700093E-09 3 0.5380278E-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 -1 0 0.6552714E-19 1 0.8966738E-09 2 0.5102954E-08 3 0.1830560E-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 0.2202416E-08 1 0.3889199E-08 2 0.7155470E-08 3 0.4510367E-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 0.3534780E-15 1 0.9483106E-07 2 0.3025854E-07 3 0.3875074E-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 2 0 0.1039051E-17 1 0.1482727E-05 2 0.3421284E-06 3 0.2486783E-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 3 0 0.1800329E-05 1 0.2473332E-05 2 0.2535724E-06 3 0.2031808E-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 4 0 0.3383824E-18 1 0.5258510E-06 2 0.2607317E-06 3 0.3619299E-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 5 0 0.1989588E-17 1 0.4317530E-08 2 0.5402408E-07 3 0.9211887E-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 0.1428045E-08 1 0.2212749E-08 2 0.2081416E-07 3 0.1923872E-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 sum of the probabilities = 0.9972682 average vibrational energy (ev) = 0.002158 average rotational energy (ev) = 0.475325 average diffraction energy (ev) = 0.014045 the reaction probability = 0.2731799D-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 0.9929193E+00 0.1986640E-01 0.4647648E+00 1 0.6942535E-02 0.2138115E-01 0.1198326E+00 2 0.0000000E+00 0.0000000E+00 0.0000000E+00 ************************************ diffraction summed probabilities ************************************ v irot j m probability 0 43 0 0 0.1740310E-02 0 31 2 -2 0.1602570E-03 0 37 2 -1 0.1719056E-02 0 44 2 0 0.3122607E-02 0 50 2 1 0.3664386E-02 0 56 2 2 0.6151649E-03 0 21 4 -4 0.1498087E-04 0 26 4 -3 0.2095482E-03 0 32 4 -2 0.1360956E-02 0 38 4 -1 0.3482888E-02 0 45 4 0 0.1210459E-02 0 51 4 1 0.8062663E-02 0 57 4 2 0.6648174E-02 0 62 4 3 0.2141216E-02 0 67 4 4 0.2706435E-03 0 13 6 -6 0.9189562E-06 0 17 6 -5 0.4656168E-05 0 22 6 -4 0.4775878E-04 0 27 6 -3 0.2775715E-03 0 33 6 -2 0.8591392E-03 0 39 6 -1 0.1384844E-02 0 46 6 0 0.7478913E-02 0 52 6 1 0.1269143E-01 0 58 6 2 0.2896214E-01 0 63 6 3 0.1904807E-01 0 68 6 4 0.1221979E-01 0 72 6 5 0.1749003E-02 0 76 6 6 0.4161025E-03 0 7 8 -8 0.4673773E-08 0 10 8 -7 0.3413570E-08 0 14 8 -6 0.8521613E-08 0 18 8 -5 0.8495027E-07 0 23 8 -4 0.1047656E-05 0 28 8 -3 0.1451522E-04 0 34 8 -2 0.3800782E-04 0 40 8 -1 0.1572497E-02 0 47 8 0 0.9764154E-02 0 53 8 1 0.5128352E-01 0 59 8 2 0.1625293E+00 0 64 8 3 0.2594564E+00 0 69 8 4 0.1740245E+00 0 73 8 5 0.1152306E+00 0 77 8 6 0.6293396E-01 0 80 8 7 0.2609068E-01 0 83 8 8 0.9240018E-02 0 3 10 -10 0.9786550E-11 0 5 10 -9 0.6348780E-11 0 8 10 -8 0.2696651E-10 0 11 10 -7 0.6683104E-10 0 15 10 -6 0.2666575E-09 0 19 10 -5 0.2623494E-08 0 24 10 -4 0.1168636E-07 0 29 10 -3 0.2995012E-07 0 35 10 -2 0.4305682E-07 0 41 10 -1 0.5037915E-06 0 48 10 0 0.2029347E-05 0 54 10 1 0.3160014E-04 0 60 10 2 0.7484425E-04 0 65 10 3 0.7377332E-03 0 70 10 4 0.2871343E-03 0 74 10 5 0.3709924E-04 0 78 10 6 0.3485851E-05 0 81 10 7 0.1298778E-05 0 84 10 8 0.1587666E-06 0 86 10 9 0.2109248E-06 0 88 10 10 0.1100680E-06 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 0.1617407E-03 1 31 2 -2 0.6049582E-04 1 37 2 -1 0.1342192E-03 1 44 2 0 0.2186250E-03 1 50 2 1 0.8747861E-03 1 56 2 2 0.3450653E-03 1 21 4 -4 0.1702306E-06 1 26 4 -3 0.4524776E-06 1 32 4 -2 0.3705000E-05 1 38 4 -1 0.8693595E-05 1 45 4 0 0.1995800E-03 1 51 4 1 0.6268594E-03 1 57 4 2 0.1951078E-02 1 62 4 3 0.1693395E-02 1 67 4 4 0.4906226E-03 1 13 6 -6 0.2811780E-09 1 17 6 -5 0.6454757E-09 1 22 6 -4 0.9738965E-09 1 27 6 -3 0.3968083E-08 1 33 6 -2 0.8499756E-08 1 39 6 -1 0.3207682E-07 1 46 6 0 0.6502278E-06 1 52 6 1 0.4208307E-05 1 58 6 2 0.4846672E-04 1 63 6 3 0.7594383E-04 1 68 6 4 0.3744542E-04 1 72 6 5 0.6044080E-05 1 76 6 6 0.2409063E-06 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 0.8677647E-07 1 0.3889899E-04 2 0.6657620E-03 3 0.7893296E-03 4 0.2192186E-03 5 0.2085506E-04 6 0.4322578E-05 7 0.1584481E-05 8 0.2342119E-06 9 0.1807291E-07 v, j, mj = 0 2 -2 0 0.1203914E-13 1 0.1947502E-06 2 0.2793193E-04 3 0.1013952E-03 4 0.2522116E-04 5 0.3877471E-05 6 0.9699230E-06 7 0.5160772E-06 8 0.1418305E-06 9 0.8649143E-08 v, j, mj = 0 2 -1 0 0.2138626E-13 1 0.5313710E-05 2 0.5224508E-03 3 0.9634077E-03 4 0.2109793E-03 5 0.1464387E-04 6 0.1915026E-05 7 0.3099699E-06 8 0.3349139E-07 9 0.1849075E-08 v, j, mj = 0 2 0 0 0.1388130E-06 1 0.6573176E-04 2 0.1018104E-02 3 0.1647617E-02 4 0.3698973E-03 5 0.1802623E-04 6 0.2383418E-05 7 0.5563638E-06 8 0.1412959E-06 9 0.1002083E-07 v, j, mj = 0 2 1 0 0.6989933E-13 1 0.7499139E-03 2 0.2218355E-02 3 0.5224555E-03 4 0.1346995E-03 5 0.2839481E-04 6 0.7753413E-05 7 0.2468611E-05 8 0.3362539E-06 9 0.8792371E-08 v, j, mj = 0 2 2 0 0.9105016E-12 1 0.3681310E-03 2 0.1237648E-03 3 0.8478646E-04 4 0.2042082E-04 5 0.5403758E-05 6 0.7174616E-05 7 0.4385190E-05 8 0.1049322E-05 9 0.4896274E-07 v, j, mj = 0 4 -4 0 0.3569739E-12 1 0.4190564E-07 2 0.3328705E-06 3 0.5329570E-05 4 0.7805695E-05 5 0.7822067E-06 6 0.5029595E-06 7 0.1609797E-06 8 0.2288965E-07 9 0.1791595E-08 v, j, mj = 0 4 -3 0 0.1221849E-06 1 0.4788198E-06 2 0.1558618E-04 3 0.1399483E-03 4 0.5191537E-04 5 0.1203146E-05 6 0.2667874E-06 7 0.2104588E-07 8 0.4203567E-08 9 0.2127125E-08 v, j, mj = 0 4 -2 0 0.1215817E-12 1 0.3438282E-05 2 0.2815575E-03 3 0.9024169E-03 4 0.1649794E-03 5 0.8155073E-05 6 0.3665286E-06 7 0.3274366E-07 8 0.7654642E-08 9 0.1480081E-08 v, j, mj = 0 4 -1 0 0.1233784E-11 1 0.1717310E-04 2 0.1095572E-02 3 0.2040357E-02 4 0.3174488E-03 5 0.1209875E-04 6 0.1567114E-06 7 0.6561654E-07 8 0.1396205E-07 9 0.1653551E-08 v, j, mj = 0 4 0 0 0.3593944E-07 1 0.3883501E-04 2 0.3237604E-03 3 0.7301565E-03 4 0.1121051E-03 5 0.4057030E-05 6 0.1396730E-05 7 0.1021069E-06 8 0.8836987E-08 9 0.1268651E-08 v, j, mj = 0 4 1 0 0.1496274E-11 1 0.1400576E-02 2 0.5485639E-02 3 0.8887269E-03 4 0.2542080E-03 5 0.2893043E-04 6 0.3916089E-05 7 0.6316731E-06 8 0.3346423E-07 9 0.2052297E-08 v, j, mj = 0 4 2 0 0.7508618E-13 1 0.5016904E-02 2 0.8864084E-03 3 0.4900478E-03 4 0.1987109E-03 5 0.4512500E-04 6 0.9647555E-05 7 0.1279360E-05 8 0.5014528E-07 9 0.1114723E-08 v, j, mj = 0 4 3 0 0.8688234E-03 1 0.1461652E-03 2 0.9804734E-03 3 0.6851925E-04 4 0.1311544E-04 5 0.3606420E-04 6 0.2299783E-04 7 0.4842872E-05 8 0.2119291E-06 9 0.2725858E-08 v, j, mj = 0 4 4 0 0.4480475E-12 1 0.8089493E-04 2 0.5463801E-04 3 0.8161010E-04 4 0.1256577E-04 5 0.1606789E-04 6 0.1766020E-04 7 0.6666499E-05 8 0.5350236E-06 9 0.5041166E-08 v, j, mj = 0 6 -6 0 0.1415467E-08 1 0.1044638E-06 2 0.3303352E-07 3 0.1246408E-06 4 0.2910653E-06 5 0.2672100E-06 6 0.8850667E-07 7 0.7564814E-08 8 0.6635160E-09 9 0.3924758E-09 v, j, mj = 0 6 -5 0 0.2745958E-13 1 0.1600747E-06 2 0.2033805E-06 3 0.1212158E-05 4 0.2562956E-05 5 0.4605378E-06 6 0.4922690E-07 7 0.4474321E-08 8 0.9885492E-09 9 0.2371127E-08 v, j, mj = 0 6 -4 0 0.9532360E-14 1 0.1077859E-05 2 0.1526202E-05 3 0.2794479E-04 4 0.1663782E-04 5 0.5461716E-06 6 0.1774744E-07 7 0.4808180E-08 8 0.2848341E-08 9 0.5379026E-09 v, j, mj = 0 6 -3 0 0.1048617E-05 1 0.1057390E-06 2 0.3772944E-04 3 0.1816231E-03 4 0.5580687E-04 5 0.1245277E-05 6 0.3914414E-08 7 0.5521004E-08 8 0.2072567E-08 9 0.9831996E-09 v, j, mj = 0 6 -2 0 0.1091408E-12 1 0.2065565E-05 2 0.1704837E-03 3 0.5356377E-03 4 0.1495371E-03 5 0.1352256E-05 6 0.3965983E-07 7 0.1738969E-07 8 0.5114656E-08 9 0.5981777E-09 v, j, mj = 0 6 -1 0 0.4208483E-11 1 0.5506197E-04 2 0.2623270E-03 3 0.9006612E-03 4 0.1656494E-03 5 0.1062012E-05 6 0.7297272E-07 7 0.5606207E-08 8 0.3264424E-08 9 0.8253317E-09 v, j, mj = 0 6 0 0 0.8452274E-06 1 0.9192877E-03 2 0.5274354E-02 3 0.1164811E-02 4 0.1178014E-03 5 0.1684237E-05 6 0.1176665E-06 7 0.7746638E-08 8 0.2528894E-08 9 0.1529141E-08 v, j, mj = 0 6 1 0 0.1628147E-10 1 0.8979860E-03 2 0.8776530E-02 3 0.2867995E-02 4 0.1452699E-03 5 0.3319593E-05 6 0.2955020E-06 7 0.2895156E-07 8 0.5159843E-08 9 0.1588218E-08 v, j, mj = 0 6 2 0 0.2520780E-13 1 0.2153478E-01 2 0.2458474E-02 3 0.4898017E-02 4 0.4296756E-04 5 0.2539082E-04 6 0.2418250E-05 7 0.9191855E-07 8 0.3050078E-08 9 0.7592534E-09 v, j, mj = 0 6 3 0 0.9490601E-02 1 0.1295491E-02 2 0.7339377E-02 3 0.1364757E-03 4 0.6932388E-03 5 0.8539930E-04 6 0.7147134E-05 7 0.3345309E-06 8 0.3261975E-08 9 0.2566904E-08 v, j, mj = 0 6 4 0 0.1673499E-13 1 0.7119084E-02 2 0.1296136E-02 3 0.3132444E-02 4 0.5777469E-03 5 0.8597024E-04 6 0.8049448E-05 7 0.3461389E-06 8 0.7577596E-08 9 0.1317929E-08 v, j, mj = 0 6 5 0 0.1449015E-11 1 0.3872469E-03 2 0.1148213E-03 3 0.7090212E-03 4 0.3495585E-03 5 0.1580771E-03 6 0.2904424E-04 7 0.1226149E-05 8 0.5625557E-08 9 0.1833093E-08 v, j, mj = 0 6 6 0 0.8406593E-07 1 0.7010429E-05 2 0.1437249E-03 3 0.1300941E-03 4 0.5011603E-04 5 0.6312154E-04 6 0.2076334E-04 7 0.1180879E-05 8 0.6559196E-08 9 0.6861781E-09 v, j, mj = 0 8 -8 0 0.6618515E-14 1 0.4783566E-10 2 0.6252599E-09 3 0.1500423E-08 4 0.1792383E-08 5 0.3822446E-09 6 0.5553440E-10 7 0.1268007E-09 8 0.1432858E-09 9 0.0000000E+00 v, j, mj = 0 8 -7 0 0.3106880E-13 1 0.3148291E-09 2 0.7736758E-09 3 0.8511285E-09 4 0.8007350E-09 5 0.1968237E-09 6 0.2158438E-09 7 0.1721849E-09 8 0.8831762E-10 9 0.0000000E+00 v, j, mj = 0 8 -6 0 0.1272910E-10 1 0.1066889E-08 2 0.3366082E-08 3 0.1148228E-08 4 0.1290561E-08 5 0.5472027E-09 6 0.6612376E-09 7 0.3508092E-09 8 0.7787408E-10 9 0.0000000E+00 v, j, mj = 0 8 -5 0 0.1034916E-12 1 0.5567000E-08 2 0.7460367E-08 3 0.4691157E-07 4 0.2080416E-07 5 0.2028268E-08 6 0.1768677E-08 7 0.3949361E-09 8 0.1519216E-10 9 0.0000000E+00 v, j, mj = 0 8 -4 0 0.3453510E-13 1 0.2151434E-06 2 0.9977792E-07 3 0.4097853E-06 4 0.3011969E-06 5 0.1797050E-07 6 0.3168428E-08 7 0.5726887E-09 8 0.4124562E-10 9 0.0000000E+00 v, j, mj = 0 8 -3 0 0.2605055E-05 1 0.3028460E-07 2 0.4463624E-05 3 0.6631045E-05 4 0.7533498E-06 5 0.2380119E-07 6 0.7184870E-08 7 0.7995659E-09 8 0.7698275E-10 9 0.0000000E+00 v, j, mj = 0 8 -2 0 0.7623669E-13 1 0.6963931E-06 2 0.2027709E-04 3 0.1576802E-04 4 0.1163214E-05 5 0.9938129E-07 6 0.2106962E-08 7 0.1352988E-08 8 0.2528717E-09 9 0.0000000E+00 v, j, mj = 0 8 -1 0 0.2660489E-11 1 0.2575743E-03 2 0.1233768E-02 3 0.7929902E-04 4 0.1391163E-05 5 0.4417921E-06 6 0.2013008E-07 7 0.3029610E-08 8 0.3401864E-09 9 0.0000000E+00 v, j, mj = 0 8 0 0 0.2271132E-05 1 0.2567148E-02 2 0.7124477E-02 3 0.3837890E-04 4 0.3114166E-04 5 0.6986787E-06 6 0.3072852E-07 7 0.4742127E-08 8 0.3138820E-08 9 0.0000000E+00 v, j, mj = 0 8 1 0 0.4878325E-10 1 0.4082973E-01 2 0.9467332E-02 3 0.8412869E-03 4 0.1420339E-03 5 0.3088682E-05 6 0.4703545E-07 7 0.5401891E-08 8 0.6693167E-09 9 0.0000000E+00 v, j, mj = 0 8 2 0 0.7619126E-13 1 0.1515563E+00 2 0.4985295E-02 3 0.5736515E-02 4 0.2358807E-03 5 0.1508917E-04 6 0.2342672E-06 7 0.8652825E-08 8 0.8597190E-09 9 0.0000000E+00 v, j, mj = 0 8 3 0 0.1593212E+00 1 0.4529328E-01 2 0.4969355E-01 3 0.4368048E-02 4 0.7326199E-03 5 0.4715201E-04 6 0.5775245E-06 7 0.1970896E-07 8 0.1572378E-08 9 0.0000000E+00 v, j, mj = 0 8 4 0 0.2139610E-12 1 0.1356856E+00 2 0.2468804E-01 3 0.1157655E-01 4 0.1971361E-02 5 0.1011494E-03 6 0.1776469E-05 7 0.5956878E-08 8 0.9202405E-09 9 0.0000000E+00 v, j, mj = 0 8 5 0 0.2996398E-10 1 0.2895947E-01 2 0.7373826E-01 3 0.1063330E-01 4 0.1735183E-02 5 0.1613115E-03 6 0.3078564E-05 7 0.1352446E-07 8 0.8065636E-09 9 0.0000000E+00 v, j, mj = 0 8 6 0 0.2223120E-05 1 0.3911563E-02 2 0.3104396E-01 3 0.2318264E-01 4 0.4437932E-02 5 0.3502409E-03 6 0.5366306E-05 7 0.2688113E-07 8 0.9143276E-09 9 0.0000000E+00 v, j, mj = 0 8 7 0 0.8658964E-11 1 0.9395059E-04 2 0.5898532E-02 3 0.1302969E-01 4 0.6324445E-02 5 0.7292374E-03 6 0.1473774E-04 7 0.7923709E-07 8 0.1569025E-08 9 0.0000000E+00 v, j, mj = 0 8 8 0 0.2971393E-12 1 0.1136383E-04 2 0.7031499E-03 3 0.4303736E-02 4 0.3664080E-02 5 0.5452442E-03 6 0.1240814E-04 7 0.3197734E-07 8 0.3831099E-08 9 0.0000000E+00 v, j, mj = 0 10 -10 0 0.1486232E-15 1 0.7283326E-12 2 0.1497199E-11 3 0.1852246E-11 4 0.2309859E-11 5 0.3398765E-11 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 -9 0 0.4488942E-12 1 0.1193865E-11 2 0.9143342E-12 3 0.7285021E-12 4 0.2186615E-11 5 0.8765699E-12 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 -8 0 0.4207704E-16 1 0.1275162E-11 2 0.7882584E-11 3 0.9828064E-11 4 0.6180118E-11 5 0.1800543E-11 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 -7 0 0.6403266E-16 1 0.6589826E-11 2 0.2809300E-10 3 0.1293694E-10 4 0.1578833E-10 5 0.3422877E-11 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 -6 0 0.5291872E-11 1 0.1626984E-09 2 0.1738514E-10 3 0.5203704E-10 4 0.2127319E-10 5 0.7971863E-11 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 -5 0 0.2133988E-15 1 0.1556545E-08 2 0.5760428E-09 3 0.3849502E-09 4 0.5276491E-10 5 0.5319121E-10 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 -4 0 0.7683897E-15 1 0.4747600E-08 2 0.4760264E-08 3 0.1723315E-08 4 0.3732951E-09 5 0.8188534E-10 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 -3 0 0.9287161E-08 1 0.6865588E-08 2 0.8290558E-08 3 0.3601277E-08 4 0.1563657E-08 5 0.3418797E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 -2 0 0.1341256E-15 1 0.6434539E-08 2 0.2132323E-07 3 0.6072935E-08 4 0.8002784E-08 5 0.1223329E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 -1 0 0.2956282E-15 1 0.1811433E-06 2 0.2246087E-06 3 0.7914655E-07 4 0.1683483E-07 5 0.2058177E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 0 0 0.5052703E-08 1 0.5647627E-06 2 0.1202185E-05 3 0.1973703E-06 4 0.5543122E-07 5 0.4544947E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 1 0 0.1877337E-13 1 0.1955400E-04 2 0.1125877E-04 3 0.6973846E-06 4 0.7689375E-07 5 0.1308966E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 2 0 0.1018555E-16 1 0.4885737E-04 2 0.2506515E-04 3 0.8652238E-06 4 0.5007382E-07 5 0.6427006E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 3 0 0.3559418E-03 1 0.3267124E-03 2 0.5340532E-04 3 0.1605888E-05 4 0.5465904E-07 5 0.1308012E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 4 0 0.3240977E-15 1 0.2379180E-03 2 0.4804803E-04 3 0.1049940E-05 4 0.9170855E-07 5 0.2664636E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 5 0 0.3744845E-13 1 0.2167463E-04 2 0.1437921E-04 3 0.9495089E-06 4 0.8128370E-07 5 0.1461471E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 6 0 0.1035086E-07 1 0.3325441E-06 2 0.2618289E-05 3 0.4180756E-06 4 0.9541385E-07 5 0.1117805E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 7 0 0.1258993E-13 1 0.8129592E-06 2 0.1847936E-06 3 0.2077932E-06 4 0.8589742E-07 5 0.7334809E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 8 0 0.6610041E-15 1 0.9568154E-08 2 0.5945502E-07 3 0.4975269E-07 4 0.3632181E-07 5 0.3668942E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 9 0 0.4648296E-08 1 0.5275391E-07 2 0.6830518E-07 3 0.6017795E-07 4 0.1550206E-07 5 0.9537425E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 10 0 0.5699989E-15 1 0.1110306E-07 2 0.1094609E-07 3 0.5267821E-07 4 0.1989299E-07 5 0.1544768E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 0 0 0 0.1512580E-07 1 0.3752106E-05 2 0.1472964E-03 3 0.9298003E-05 4 0.9254249E-06 5 0.3822349E-06 6 0.6564537E-07 7 0.5526768E-08 8 0.2141333E-09 9 0.0000000E+00 v, j, mj = 1 2 -2 0 0.1817709E-13 1 0.5674234E-06 2 0.2142910E-04 3 0.3071443E-04 4 0.7245916E-05 5 0.5275803E-06 6 0.1026063E-07 7 0.1110288E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 2 -1 0 0.2824114E-12 1 0.5152049E-05 2 0.8085285E-04 3 0.4706967E-04 4 0.1057405E-05 5 0.7948886E-07 6 0.6407374E-08 7 0.1375771E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 2 0 0 0.9591186E-09 1 0.2984128E-05 2 0.1726592E-03 3 0.3998556E-04 4 0.2552355E-05 5 0.4205533E-06 6 0.2051191E-07 7 0.1729168E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 2 1 0 0.1802184E-12 1 0.3589123E-03 2 0.3277268E-03 3 0.1694789E-03 4 0.1814845E-04 5 0.5090933E-06 6 0.9470126E-08 7 0.1025207E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 2 2 0 0.4675585E-13 1 0.3016575E-03 2 0.3123474E-04 3 0.7062021E-05 4 0.3523965E-05 5 0.1538206E-05 6 0.4362133E-07 7 0.5264404E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 -4 0 0.5899129E-14 1 0.4789386E-07 2 0.2326503E-07 3 0.7643812E-07 4 0.1783730E-07 5 0.3720667E-08 6 0.1075625E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 -3 0 0.1070260E-06 1 0.2551443E-07 2 0.1061351E-06 3 0.1799025E-06 4 0.3009711E-07 5 0.2674209E-08 6 0.1128185E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 -2 0 0.2610982E-14 1 0.2886862E-06 2 0.7699218E-06 3 0.2271555E-05 4 0.3503657E-06 5 0.2358697E-07 6 0.8844928E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 -1 0 0.1864867E-13 1 0.9065811E-07 2 0.1762070E-05 3 0.6308441E-05 4 0.5208862E-06 5 0.1035492E-07 6 0.1184819E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 0 0 0.7173021E-07 1 0.2410984E-04 2 0.1433063E-03 3 0.3104429E-04 4 0.1026213E-05 5 0.1713961E-07 6 0.4499374E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 1 0 0.1554553E-11 1 0.1588777E-03 2 0.4010761E-03 3 0.6469656E-04 4 0.2161927E-05 5 0.3100536E-07 6 0.1601529E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 2 0 0.1821853E-13 1 0.1571361E-02 2 0.3509216E-03 3 0.2379809E-04 4 0.4859100E-05 5 0.1328898E-06 6 0.5684683E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 3 0 0.1548237E-03 1 0.5372299E-03 2 0.7772411E-03 3 0.2135099E-03 4 0.1044529E-04 5 0.1391697E-06 6 0.5965839E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 4 0 0.3310938E-14 1 0.3322565E-03 2 0.1294090E-03 3 0.2510702E-04 4 0.3738789E-05 5 0.1088217E-06 6 0.2452510E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 6 -6 0 0.5630561E-11 1 0.8016078E-10 2 0.5923137E-10 3 0.6304552E-10 4 0.7310972E-10 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 6 -5 0 0.3673766E-16 1 0.1531054E-09 2 0.1730404E-09 3 0.2556833E-09 4 0.6364651E-10 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 6 -4 0 0.7875486E-16 1 0.3346334E-09 2 0.3580120E-09 3 0.2106455E-09 4 0.7060559E-10 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 6 -3 0 0.1026965E-08 1 0.1819787E-08 2 0.4831600E-09 3 0.4702075E-09 4 0.1679640E-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 -2 0 0.4540909E-16 1 0.2516314E-08 2 0.3728760E-08 3 0.1803377E-08 4 0.4513057E-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 -1 0 0.1211237E-15 1 0.9897011E-08 2 0.1406100E-07 3 0.6213096E-08 4 0.1905712E-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 0 0 0.6810937E-09 1 0.8985840E-07 2 0.4837054E-06 3 0.7277547E-07 4 0.3207469E-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 0.1421118E-13 1 0.1747066E-05 2 0.2315834E-05 3 0.1413195E-06 4 0.4088179E-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 0.4235196E-16 1 0.3858522E-04 2 0.9573759E-05 3 0.2997862E-06 4 0.7952069E-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 3 0 0.1686314E-04 1 0.4884322E-04 2 0.9872162E-05 3 0.3572735E-06 4 0.8037445E-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 0.2844661E-16 1 0.2529608E-04 2 0.1165152E-04 3 0.4909689E-06 4 0.6853456E-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 0.8076111E-14 1 0.2069252E-05 2 0.3500298E-05 3 0.4626396E-06 4 0.1189009E-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 6 0 0.7557877E-10 1 0.1703871E-07 2 0.1288691E-06 3 0.8272623E-07 4 0.1219671E-07 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 sum of the probabilities = 0.9998618 average vibrational energy (ev) = 0.003537 average rotational energy (ev) = 0.462370 average diffraction energy (ev) = 0.019877 the reaction probability = 0.1381670D-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 0.9852117E+00 0.2958041E-01 0.4500799E+00 1 0.1483193E-01 0.2591865E-01 0.1519120E+00 2 0.0000000E+00 0.0000000E+00 0.0000000E+00 ************************************ diffraction summed probabilities ************************************ v irot j m probability 0 43 0 0 0.3565637E-02 0 31 2 -2 0.3941381E-03 0 37 2 -1 0.3695198E-02 0 44 2 0 0.6042658E-02 0 50 2 1 0.6269605E-02 0 56 2 2 0.1089114E-02 0 21 4 -4 0.3784332E-04 0 26 4 -3 0.4457256E-03 0 32 4 -2 0.2856541E-02 0 38 4 -1 0.6221694E-02 0 45 4 0 0.2096311E-02 0 51 4 1 0.1282240E-01 0 57 4 2 0.9817008E-02 0 62 4 3 0.2682602E-02 0 67 4 4 0.6773833E-03 0 13 6 -6 0.7092144E-05 0 17 6 -5 0.3235984E-04 0 22 6 -4 0.2247122E-03 0 27 6 -3 0.1042307E-02 0 33 6 -2 0.2766995E-02 0 39 6 -1 0.3807223E-02 0 46 6 0 0.1201687E-01 0 52 6 1 0.1741834E-01 0 58 6 2 0.3449446E-01 0 63 6 3 0.2194734E-01 0 68 6 4 0.1294311E-01 0 72 6 5 0.4150836E-02 0 76 6 6 0.1511836E-02 0 7 8 -8 0.8097712E-07 0 10 8 -7 0.5671146E-07 0 14 8 -6 0.1373434E-06 0 18 8 -5 0.1128116E-05 0 23 8 -4 0.8531063E-05 0 28 8 -3 0.6793136E-04 0 34 8 -2 0.1780439E-03 0 40 8 -1 0.3725252E-02 0 47 8 0 0.1916510E-01 0 53 8 1 0.6181280E-01 0 59 8 2 0.1430011E+00 0 64 8 3 0.1772756E+00 0 69 8 4 0.1154959E+00 0 73 8 5 0.1068431E+00 0 77 8 6 0.9680655E-01 0 80 8 7 0.4931742E-01 0 83 8 8 0.3576773E-01 0 3 10 -10 0.5282955E-10 0 5 10 -9 0.5511651E-10 0 8 10 -8 0.1141853E-09 0 11 10 -7 0.3719239E-09 0 15 10 -6 0.6682888E-09 0 19 10 -5 0.1036305E-07 0 24 10 -4 0.2884276E-07 0 29 10 -3 0.9634464E-07 0 35 10 -2 0.3024664E-06 0 41 10 -1 0.5441530E-05 0 48 10 0 0.1991496E-04 0 54 10 1 0.1716142E-03 0 60 10 2 0.4714914E-03 0 65 10 3 0.2547688E-02 0 70 10 4 0.1183038E-02 0 74 10 5 0.2268686E-03 0 78 10 6 0.3175729E-04 0 81 10 7 0.6074041E-05 0 84 10 8 0.6651853E-06 0 86 10 9 0.7665879E-06 0 88 10 10 0.2215001E-05 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 0.3148578E-03 1 31 2 -2 0.2329248E-03 1 37 2 -1 0.7679789E-03 1 44 2 0 0.4065685E-03 1 50 2 1 0.7214741E-03 1 56 2 2 0.5447542E-03 1 21 4 -4 0.4944331E-05 1 26 4 -3 0.1377456E-04 1 32 4 -2 0.6613567E-04 1 38 4 -1 0.1467124E-03 1 45 4 0 0.7032689E-03 1 51 4 1 0.1739267E-02 1 57 4 2 0.2106657E-02 1 62 4 3 0.2807767E-02 1 67 4 4 0.1321339E-02 1 13 6 -6 0.1796742E-08 1 17 6 -5 0.3283575E-08 1 22 6 -4 0.1034923E-07 1 27 6 -3 0.5254645E-07 1 33 6 -2 0.1857769E-06 1 39 6 -1 0.1174712E-05 1 46 6 0 0.1624978E-04 1 52 6 1 0.6990586E-04 1 58 6 2 0.3710973E-03 1 63 6 3 0.2208017E-03 1 68 6 4 0.6897383E-03 1 72 6 5 0.1272222E-02 1 76 6 6 0.2920616E-03 1 7 8 -8 0.4378733E-13 1 10 8 -7 0.6542045E-13 1 14 8 -6 0.6513558E-12 1 18 8 -5 0.3457873E-12 1 23 8 -4 0.2397556E-12 1 28 8 -3 0.1319991E-10 1 34 8 -2 0.3172286E-11 1 40 8 -1 0.2438430E-11 1 47 8 0 0.8550955E-10 1 53 8 1 0.1777992E-10 1 59 8 2 0.6904324E-10 1 64 8 3 0.2264527E-08 1 69 8 4 0.7351326E-10 1 73 8 5 0.6524093E-10 1 77 8 6 0.2087489E-09 1 80 8 7 0.2209553E-10 1 83 8 8 0.6490030E-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 0.1709987E-06 1 0.6859018E-04 2 0.8060970E-03 3 0.1628272E-02 4 0.8562428E-03 5 0.1500209E-03 6 0.3852650E-04 7 0.1444322E-04 8 0.3055022E-05 9 0.2177355E-06 v, j, mj = 0 2 -2 0 0.9136616E-12 1 0.1048577E-05 2 0.4308689E-04 3 0.2199630E-03 4 0.9770952E-04 5 0.1276095E-04 6 0.1140134E-04 7 0.6403105E-05 8 0.1639230E-05 9 0.1254420E-06 v, j, mj = 0 2 -1 0 0.5354208E-11 1 0.4023999E-05 2 0.7114255E-03 3 0.1935814E-02 4 0.8962666E-03 5 0.1271882E-03 6 0.1672623E-04 7 0.3300073E-05 8 0.4393009E-06 9 0.1457468E-07 v, j, mj = 0 2 0 0 0.7572691E-07 1 0.6377748E-04 2 0.1090699E-02 3 0.3004839E-02 4 0.1638353E-02 5 0.2096412E-03 6 0.2730057E-04 7 0.6606320E-05 8 0.1275929E-05 9 0.8977310E-07 v, j, mj = 0 2 1 0 0.7666416E-13 1 0.9106613E-03 2 0.2971842E-02 3 0.1419904E-02 4 0.6705287E-03 5 0.2085776E-03 6 0.6482187E-04 7 0.1976861E-04 8 0.3387482E-05 9 0.1130419E-06 v, j, mj = 0 2 2 0 0.1111786E-11 1 0.4107527E-03 2 0.2362763E-03 3 0.2426412E-03 4 0.9337589E-04 5 0.1877184E-04 6 0.4173243E-04 7 0.3421073E-04 8 0.1059421E-04 9 0.7590329E-06 v, j, mj = 0 4 -4 0 0.4401097E-12 1 0.3573397E-06 2 0.5028707E-06 3 0.1038391E-04 4 0.1341011E-04 5 0.7452149E-05 6 0.4036508E-05 7 0.1449335E-05 8 0.2442073E-06 9 0.6887733E-08 v, j, mj = 0 4 -3 0 0.1411266E-06 1 0.6505742E-07 2 0.3808432E-04 3 0.2473311E-03 4 0.1290109E-03 5 0.2844186E-04 6 0.2154882E-05 7 0.4395907E-06 8 0.5386483E-07 9 0.2899389E-08 v, j, mj = 0 4 -2 0 0.6742813E-12 1 0.6522613E-05 2 0.5122209E-03 3 0.1665909E-02 4 0.5982652E-03 5 0.6833015E-04 6 0.4906059E-05 7 0.3377988E-06 8 0.4652701E-07 9 0.2282270E-08 v, j, mj = 0 4 -1 0 0.1481673E-13 1 0.3095664E-04 2 0.1170448E-02 3 0.3801727E-02 4 0.1116958E-02 5 0.9694883E-04 6 0.4078822E-05 7 0.5086980E-06 8 0.6544976E-07 9 0.2729090E-08 v, j, mj = 0 4 0 0 0.1887900E-06 1 0.1065524E-03 2 0.8011031E-03 3 0.7505684E-03 4 0.3880085E-03 5 0.3891332E-04 6 0.9382880E-05 7 0.1455826E-05 8 0.1343092E-06 9 0.3833200E-08 v, j, mj = 0 4 1 0 0.5448027E-11 1 0.1557126E-02 2 0.6564651E-02 3 0.3241922E-02 4 0.1144899E-02 5 0.2695811E-03 6 0.3730749E-04 7 0.6416635E-05 8 0.4958596E-06 9 0.3758470E-08 v, j, mj = 0 4 2 0 0.4897181E-12 1 0.5084359E-02 2 0.2495263E-02 3 0.9675665E-03 4 0.8149024E-03 5 0.3315761E-03 6 0.1034679E-03 7 0.1845528E-04 8 0.1398856E-05 9 0.1830625E-07 v, j, mj = 0 4 3 0 0.8095959E-03 1 0.1346438E-03 2 0.1160491E-02 3 0.2825477E-03 4 0.5418651E-04 5 0.1010649E-03 6 0.1012786E-03 7 0.3556166E-04 8 0.3191168E-05 9 0.4099494E-07 v, j, mj = 0 4 4 0 0.4211355E-12 1 0.1195496E-03 2 0.7103417E-04 3 0.1907170E-03 4 0.8107174E-04 5 0.6745893E-04 6 0.9101378E-04 7 0.4945863E-04 8 0.6942128E-05 9 0.1372913E-06 v, j, mj = 0 6 -6 0 0.1513529E-08 1 0.2191716E-06 2 0.6350238E-06 3 0.7287802E-06 4 0.1813565E-05 5 0.2600673E-05 6 0.9245546E-06 7 0.1627147E-06 8 0.5403987E-08 9 0.7431488E-09 v, j, mj = 0 6 -5 0 0.3725306E-12 1 0.2991671E-05 2 0.3299364E-06 3 0.5600468E-05 4 0.1989195E-04 5 0.2916106E-05 6 0.5661298E-06 7 0.6108781E-07 8 0.1298666E-08 9 0.1197940E-08 v, j, mj = 0 6 -4 0 0.1453318E-12 1 0.2693925E-05 2 0.7562139E-05 3 0.1281374E-03 4 0.8482012E-04 5 0.1339814E-05 6 0.1394062E-06 7 0.1386973E-07 8 0.4008562E-08 9 0.1532688E-08 v, j, mj = 0 6 -3 0 0.1481817E-05 1 0.3482586E-06 2 0.1210130E-03 3 0.6854476E-03 4 0.2243754E-03 5 0.9501195E-05 6 0.1247918E-06 7 0.1302650E-07 8 0.1467338E-08 9 0.8581096E-09 v, j, mj = 0 6 -2 0 0.9180273E-12 1 0.1159233E-04 2 0.3995060E-03 3 0.1714763E-02 4 0.6196567E-03 5 0.2137124E-04 6 0.8164038E-07 7 0.1962597E-07 8 0.3497015E-08 9 0.1271372E-08 v, j, mj = 0 6 -1 0 0.1340051E-10 1 0.2345739E-03 2 0.6228396E-03 3 0.2237973E-02 4 0.7052917E-03 5 0.6337772E-05 6 0.1742012E-06 7 0.2862720E-07 8 0.2816693E-08 9 0.9814166E-09 v, j, mj = 0 6 0 0 0.1522350E-05 1 0.1093016E-02 2 0.7440735E-02 3 0.3235060E-02 4 0.2397616E-03 5 0.5812351E-05 6 0.8981660E-06 7 0.5738893E-07 8 0.3649769E-08 9 0.1246724E-08 v, j, mj = 0 6 1 0 0.2372869E-10 1 0.3663965E-03 2 0.8651637E-02 3 0.8262362E-02 4 0.9148993E-04 5 0.4174379E-04 6 0.4432353E-05 7 0.2693681E-06 8 0.5149357E-08 9 0.2824762E-08 v, j, mj = 0 6 2 0 0.3013598E-12 1 0.1603113E-01 2 0.8489836E-02 3 0.8404107E-02 4 0.1339560E-02 5 0.2037936E-03 6 0.2448962E-04 7 0.1516429E-05 8 0.2863293E-07 9 0.1887828E-08 v, j, mj = 0 6 3 0 0.7523280E-02 1 0.2858214E-02 2 0.8093318E-02 3 0.6031517E-03 4 0.2308547E-02 5 0.4911984E-03 6 0.6550923E-04 7 0.4034987E-05 8 0.7816776E-07 9 0.5487929E-08 v, j, mj = 0 6 4 0 0.4822987E-13 1 0.7516456E-02 2 0.1498936E-02 3 0.2866054E-02 4 0.6107905E-03 5 0.3636336E-03 6 0.8080153E-04 7 0.6299902E-05 8 0.1384589E-06 9 0.4773304E-08 v, j, mj = 0 6 5 0 0.1132485E-10 1 0.1215508E-02 2 0.6132867E-03 3 0.1315402E-02 4 0.4858214E-03 5 0.3714609E-03 6 0.1357247E-03 7 0.1339026E-04 8 0.2352647E-06 9 0.6453253E-08 v, j, mj = 0 6 6 0 0.2828353E-06 1 0.4002064E-04 2 0.3341507E-03 3 0.1534860E-03 4 0.4198206E-03 5 0.3701183E-03 6 0.1720815E-03 7 0.2149459E-04 8 0.3773921E-06 9 0.3091149E-08 v, j, mj = 0 8 -8 0 0.1911530E-14 1 0.1447092E-08 2 0.6983774E-08 3 0.1867175E-07 4 0.3287127E-07 5 0.1882527E-07 6 0.1940972E-08 7 0.1494538E-09 8 0.8753918E-10 9 0.0000000E+00 v, j, mj = 0 8 -7 0 0.1881153E-12 1 0.2061068E-08 2 0.4825805E-08 3 0.1036374E-07 4 0.2358271E-07 5 0.1393645E-07 6 0.1341166E-08 7 0.4641912E-09 8 0.1361419E-09 9 0.0000000E+00 v, j, mj = 0 8 -6 0 0.9193794E-10 1 0.1998448E-07 2 0.3114127E-07 3 0.2987859E-07 4 0.4028928E-07 5 0.1300186E-07 6 0.2104601E-08 7 0.7471192E-09 8 0.1042873E-09 9 0.0000000E+00 v, j, mj = 0 8 -5 0 0.1976557E-12 1 0.1145338E-06 2 0.5553955E-07 3 0.5431043E-06 4 0.3861119E-06 5 0.2388708E-07 6 0.3196002E-08 7 0.1596005E-08 8 0.1469492E-09 9 0.0000000E+00 v, j, mj = 0 8 -4 0 0.3720006E-13 1 0.8311794E-06 2 0.1176912E-05 3 0.4215939E-05 4 0.2274264E-05 5 0.2723891E-07 6 0.4901297E-08 7 0.4900522E-09 8 0.1380703E-09 9 0.0000000E+00 v, j, mj = 0 8 -3 0 0.4789584E-05 1 0.1244535E-05 2 0.1888442E-04 3 0.3671297E-04 4 0.6154349E-05 5 0.1351351E-06 6 0.9268722E-08 7 0.6506068E-09 8 0.4549867E-09 9 0.0000000E+00 v, j, mj = 0 8 -2 0 0.1381569E-12 1 0.1363091E-05 2 0.8120858E-04 3 0.8490501E-04 4 0.1018225E-04 5 0.3736701E-06 6 0.9611113E-08 7 0.1244899E-08 8 0.3959760E-09 9 0.0000000E+00 v, j, mj = 0 8 -1 0 0.1425831E-10 1 0.5619722E-03 2 0.2963615E-02 3 0.1752886E-03 4 0.2349566E-04 5 0.8433517E-06 6 0.2500757E-07 7 0.1072896E-07 8 0.1775523E-08 9 0.0000000E+00 v, j, mj = 0 8 0 0 0.5175287E-05 1 0.5448572E-02 2 0.1272462E-01 3 0.9067347E-03 4 0.7894838E-04 5 0.9716962E-06 6 0.7557055E-07 7 0.7015262E-08 8 0.2730296E-08 9 0.0000000E+00 v, j, mj = 0 8 1 0 0.1881613E-09 1 0.5428618E-01 2 0.3303086E-02 3 0.4139524E-02 4 0.7072556E-04 5 0.1295552E-04 6 0.3211410E-06 7 0.1062952E-07 8 0.1221397E-08 9 0.0000000E+00 v, j, mj = 0 8 2 0 0.3745741E-12 1 0.1128009E+00 2 0.2313697E-01 3 0.6443188E-02 4 0.5570751E-03 5 0.6127524E-04 6 0.1642313E-05 7 0.1943237E-07 8 0.2365237E-08 9 0.0000000E+00 v, j, mj = 0 8 3 0 0.6944861E-01 1 0.2259156E-01 2 0.7764646E-01 3 0.4887059E-02 4 0.2519745E-02 5 0.1759666E-03 6 0.6204173E-05 7 0.3574493E-07 8 0.3399495E-08 9 0.0000000E+00 v, j, mj = 0 8 4 0 0.7631936E-12 1 0.7860394E-01 2 0.7732986E-02 3 0.2618318E-01 4 0.2628234E-02 5 0.3352253E-03 6 0.1211316E-04 7 0.1627253E-06 8 0.3390178E-08 9 0.0000000E+00 v, j, mj = 0 8 5 0 0.8569860E-10 1 0.4355636E-01 2 0.5538196E-01 3 0.3279861E-02 4 0.4032311E-02 5 0.5709707E-03 6 0.2134905E-04 7 0.2828400E-06 8 0.2298052E-08 9 0.0000000E+00 v, j, mj = 0 8 6 0 0.1327852E-04 1 0.1122312E-01 2 0.5762447E-01 3 0.2383997E-01 4 0.3286455E-02 5 0.7844755E-03 6 0.3441226E-04 7 0.3668337E-06 8 0.2331087E-08 9 0.0000000E+00 v, j, mj = 0 8 7 0 0.4792027E-10 1 0.2603088E-03 2 0.1691562E-01 3 0.2222316E-01 4 0.8019823E-02 5 0.1800331E-02 6 0.9720093E-04 7 0.9672209E-06 8 0.6623362E-08 9 0.0000000E+00 v, j, mj = 0 8 8 0 0.2679163E-11 1 0.8396953E-04 2 0.3968191E-02 3 0.1519362E-01 4 0.1299859E-01 5 0.3344910E-02 6 0.1770869E-03 7 0.1349332E-05 8 0.8054025E-08 9 0.0000000E+00 v, j, mj = 0 10 -10 0 0.1948007E-15 1 0.4587236E-11 2 0.1806332E-10 3 0.1448536E-10 4 0.7444750E-11 5 0.6485642E-11 6 0.1763051E-11 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 -9 0 0.2130806E-11 1 0.2364453E-11 2 0.1884383E-10 3 0.1488229E-10 4 0.6091325E-11 5 0.5886891E-11 6 0.4916911E-11 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 -8 0 0.3418995E-15 1 0.1509258E-10 2 0.4040528E-10 3 0.2430905E-10 4 0.2170233E-10 5 0.8856911E-11 6 0.3818812E-11 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 -7 0 0.2469292E-15 1 0.2037858E-10 2 0.1090535E-09 3 0.1698715E-09 4 0.4987261E-10 5 0.1363724E-10 6 0.9110235E-11 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 -6 0 0.1534749E-10 1 0.2065468E-09 2 0.4309140E-10 3 0.2515522E-09 4 0.1001415E-09 5 0.4250907E-10 6 0.9100402E-11 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 -5 0 0.1176948E-14 1 0.5228599E-08 2 0.2921924E-08 3 0.1717807E-08 4 0.2574905E-09 5 0.1795469E-09 6 0.5768524E-10 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 -4 0 0.3714230E-14 1 0.1468136E-07 2 0.4956675E-08 3 0.8196937E-08 4 0.6299412E-09 5 0.2962262E-09 6 0.8161661E-10 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 -3 0 0.3040052E-07 1 0.1878532E-07 2 0.3016274E-07 3 0.1111382E-07 4 0.5180970E-08 5 0.6088726E-09 6 0.9239949E-10 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 -2 0 0.2540763E-15 1 0.3214642E-07 2 0.1864161E-06 3 0.6927999E-07 4 0.1070976E-07 5 0.3711666E-08 6 0.2024075E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 -1 0 0.6135504E-14 1 0.5089465E-06 2 0.4052102E-05 3 0.8222523E-06 4 0.4767842E-07 5 0.9565344E-08 6 0.9856711E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 0 0 0.1742447E-08 1 0.4681782E-05 2 0.1386330E-04 3 0.1274847E-05 4 0.6886232E-07 5 0.2319889E-07 6 0.1227557E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 1 0 0.1779652E-12 1 0.1110504E-03 2 0.5701753E-04 3 0.3362778E-05 4 0.1693854E-06 5 0.1268912E-07 6 0.1423720E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 2 0 0.1865209E-15 1 0.3215345E-03 2 0.1435993E-03 3 0.6277245E-05 4 0.5861710E-07 5 0.1926615E-07 6 0.2450621E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 3 0 0.1467104E-02 1 0.8996842E-03 2 0.1784013E-03 3 0.2369315E-05 4 0.9835938E-07 5 0.2900325E-07 6 0.1454828E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 4 0 0.2469902E-15 1 0.1052085E-02 2 0.1270912E-03 3 0.3729526E-05 4 0.8712506E-07 5 0.3841275E-07 6 0.6328679E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 5 0 0.3193674E-12 1 0.1431684E-03 2 0.7755352E-04 3 0.5828148E-05 4 0.2734755E-06 5 0.4229551E-07 6 0.2771306E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 6 0 0.2880715E-07 1 0.6283588E-05 2 0.2254452E-04 3 0.2813309E-05 4 0.5336779E-07 5 0.2971636E-07 6 0.3981262E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 7 0 0.1199794E-12 1 0.6864074E-06 2 0.3668068E-05 3 0.1589591E-05 4 0.1025598E-06 5 0.2071752E-07 6 0.6697394E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 8 0 0.3302702E-14 1 0.9045570E-07 2 0.3321100E-06 3 0.1766314E-06 4 0.3744927E-07 5 0.2436233E-07 6 0.4176596E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 9 0 0.1086351E-06 1 0.1144330E-06 2 0.2110807E-06 3 0.2230582E-06 4 0.9561830E-07 5 0.1076853E-07 6 0.2994140E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 10 0 0.4318665E-14 1 0.4315459E-06 2 0.1042118E-05 3 0.6489400E-06 4 0.7336134E-07 5 0.1459529E-07 6 0.4439858E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 0 0 0 0.5235912E-07 1 0.1902618E-04 2 0.2527618E-03 3 0.3679469E-04 4 0.3482972E-05 5 0.2256748E-05 6 0.4688226E-06 7 0.1299430E-07 8 0.1245514E-08 9 0.0000000E+00 v, j, mj = 1 2 -2 0 0.1601419E-11 1 0.2728332E-05 2 0.9987409E-04 3 0.9793377E-04 4 0.2014061E-04 5 0.1164934E-04 6 0.5952668E-06 7 0.2893781E-08 8 0.5023156E-09 9 0.0000000E+00 v, j, mj = 1 2 -1 0 0.4073339E-11 1 0.3291922E-04 2 0.5699713E-03 3 0.1563598E-03 4 0.7660165E-05 5 0.1016952E-05 6 0.5012620E-07 7 0.1187376E-08 8 0.1555782E-09 9 0.0000000E+00 v, j, mj = 1 2 0 0 0.4231305E-07 1 0.7785243E-05 2 0.3467776E-03 3 0.4366106E-04 4 0.5893544E-05 5 0.2026361E-05 6 0.3730819E-06 7 0.8605095E-08 8 0.7245795E-09 9 0.0000000E+00 v, j, mj = 1 2 1 0 0.2598747E-11 1 0.4383809E-03 2 0.1121085E-03 3 0.1157124E-03 4 0.5240118E-04 5 0.2822572E-05 6 0.4674653E-07 7 0.1509926E-08 8 0.2556811E-09 9 0.0000000E+00 v, j, mj = 1 2 2 0 0.2185290E-12 1 0.5224591E-03 2 0.4364383E-05 3 0.5768027E-05 4 0.8871962E-05 5 0.2871444E-05 6 0.4115323E-06 7 0.7352513E-08 8 0.3820840E-09 9 0.0000000E+00 v, j, mj = 1 4 -4 0 0.2134649E-12 1 0.4564122E-06 2 0.4166998E-06 3 0.1233387E-05 4 0.2570205E-05 5 0.2636331E-06 6 0.3291761E-08 7 0.7026185E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 -3 0 0.1342452E-05 1 0.2175888E-06 2 0.3807224E-05 3 0.7354946E-05 4 0.1006259E-05 5 0.4303379E-07 6 0.2823324E-08 7 0.2331877E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 -2 0 0.2070026E-12 1 0.1738266E-05 2 0.3138635E-04 3 0.3047362E-04 4 0.2213524E-05 5 0.3129491E-06 6 0.1069726E-07 7 0.2630240E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 -1 0 0.4805775E-13 1 0.5324185E-06 2 0.6569872E-04 3 0.7746626E-04 4 0.2891786E-05 5 0.1183654E-06 6 0.3580404E-08 7 0.1250667E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 0 0 0.2521445E-06 1 0.1243340E-03 2 0.5147046E-03 3 0.6271645E-04 4 0.1203767E-05 5 0.4583028E-07 6 0.1083556E-07 7 0.1242407E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 1 0 0.8805647E-11 1 0.5079866E-03 2 0.1190632E-02 3 0.3956679E-04 4 0.1024490E-05 5 0.4461222E-07 6 0.1042638E-07 7 0.2237795E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 2 0 0.1267451E-13 1 0.1497656E-02 2 0.3267879E-03 3 0.2523548E-03 4 0.2926639E-04 5 0.5741328E-06 6 0.1576951E-07 7 0.1945117E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 3 0 0.6315246E-03 1 0.1515947E-03 2 0.1454811E-02 3 0.5326995E-03 4 0.3624643E-04 5 0.8772445E-06 6 0.1230051E-07 7 0.1580958E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 4 0 0.2865401E-13 1 0.8059327E-03 2 0.7923282E-04 3 0.3218058E-03 4 0.1069579E-03 5 0.7345529E-05 6 0.6205586E-07 7 0.2131030E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 6 -6 0 0.4720624E-10 1 0.6977541E-09 2 0.6782077E-09 3 0.1295360E-09 4 0.1365012E-09 5 0.1075366E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 6 -5 0 0.3419870E-13 1 0.1231484E-08 2 0.5057272E-09 3 0.1007033E-08 4 0.3921754E-09 5 0.1471217E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 6 -4 0 0.1344726E-13 1 0.5422883E-08 2 0.1349605E-08 3 0.2248458E-08 4 0.1140695E-08 5 0.1875719E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 6 -3 0 0.3418199E-08 1 0.5425173E-08 2 0.2309748E-07 3 0.1868756E-07 4 0.1547744E-08 5 0.3702978E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 6 -2 0 0.1840798E-15 1 0.9644144E-08 2 0.5282727E-07 3 0.1126427E-06 4 0.9705553E-08 5 0.9572470E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 6 -1 0 0.2482750E-14 1 0.2138266E-07 2 0.6734834E-06 3 0.4577693E-06 4 0.2021990E-07 5 0.1856273E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 6 0 0 0.8611748E-08 1 0.2269156E-05 2 0.1239719E-04 3 0.1558396E-05 4 0.1319932E-07 5 0.3225866E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 6 1 0 0.1754540E-12 1 0.2876235E-04 2 0.3904198E-04 3 0.2085606E-05 4 0.1230504E-07 5 0.3616106E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 6 2 0 0.9212166E-15 1 0.3098585E-03 2 0.5816186E-04 3 0.2984698E-05 4 0.8061710E-07 5 0.1158286E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 6 3 0 0.2939228E-04 1 0.1044183E-03 2 0.7513028E-04 3 0.1173770E-04 4 0.1176219E-06 5 0.5540623E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 6 4 0 0.5533685E-15 1 0.4200170E-03 2 0.2610788E-03 3 0.8575091E-05 4 0.6070591E-07 5 0.6654269E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 6 5 0 0.5874612E-13 1 0.3379767E-03 2 0.8029626E-03 3 0.1292861E-03 4 0.1979169E-05 5 0.1699016E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 6 6 0 0.6567371E-07 1 0.2167092E-04 2 0.1939158E-03 3 0.7427293E-04 4 0.2130446E-05 5 0.5828650E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 8 -8 0 0.1863561E-16 1 0.4376869E-13 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 0.5669275E-16 1 0.6536375E-13 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 0.6328422E-12 1 0.1851360E-13 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 0.1330313E-16 1 0.3457740E-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 -4 0 0.1199142E-17 1 0.2397544E-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 0.1234267E-10 1 0.8572339E-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 -2 0 0.9784122E-19 1 0.3172286E-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 0.1941982E-17 1 0.2438428E-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 0.7342884E-10 1 0.1208071E-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 0.4791512E-18 1 0.1777992E-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 2 0 0.6253076E-18 1 0.6904324E-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 0.2130329E-08 1 0.1341975E-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 4 0 0.3029445E-18 1 0.7351326E-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 5 0 0.2263277E-16 1 0.6524091E-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 0.1459706E-09 1 0.6277825E-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 7 0 0.3074065E-15 1 0.2209522E-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 8 0 0.6767979E-17 1 0.6490024E-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 = 1.0000437 average vibrational energy (ev) = 0.007555 average rotational energy (ev) = 0.445658 average diffraction energy (ev) = 0.029526 the reaction probability = -0.4367377D-04 etrans(icomin)= 0.151114 etrans(icomax)= 0.548327 etrans= 0.550000 CPU TIMES Total computation 171593.5502 (a) ... Propagating the wavefunction 168451.8452 (b) Setup time 2708.9670 Saving the wave function for rerun 102.4443 Calculating averages 8.6128 Calculating and saving BK-coeffs 42.7632 Asymptotic analysis 8.2688 Saving the flux coefficients 0.0000 Flux analysis 0.0000 ----------------------------------------------------- Sum 171322.9013 (a) ... FFTs along X and Y 7574.7114 Kinetic energy operation along Z 42863.5208 Kinetic energy operation along r 37096.6749 Potential energy multiplication 18871.5688 Legengre transforms 49565.3520 Shifting the wavefunction 4933.3451 Kinetic energy multiplications (xy) 879.6352 Absorbing the wavefunction 1025.6477 Projection formalism 23.0501 Operations on specular grid 0.1871 ----------------------------------------------------- Sum 162833.6931 (b) ... Potential initialisation time 0.0000 Potential setup time 2612.6498 FFTs along X 4135.2952 FFTs along Y 3439.4161 Time spent on FGH for asympwf 0.5076 Ending date and time: Tue Aug 13 15:57:38 CEST 2019