Starting date and time: Sun Aug 11 21:02:47 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 210247.632 *** * 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: v0j8mj4-0.15eV-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: 4 * 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: 4 * 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 = 4 ... *** 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 = 0.11491776E-03 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 = 146 iz = 148 iz = 150 iz = 152 iz = 154 iz = 156 iz = 158 iz = 160 iz = 162 iz = 145 iz = 149 iz = 153 iz = 143 iz = 157 iz = 161 iz = 147 iz = 151 iz = 155 iz = 159 Saving Cu111_B86SRP68-DF2_Z8A_C3v PES into file : ./Cu111_B86SRP68-DF2_Z8A_C3v_162_-1.000_0.100_56_0.800_0.150_20_20_4.864_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 = 0.27028552E+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 = 339 ******************************************************************************** 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 = 18429 ******************************************************************************** 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 13.99129288 1.53575904 0.23771132E-01 0.14000000E+04 0.99999977 13.86493454 1.53575534 0.16830009E-01 0.14500000E+04 0.99999976 13.73855599 1.53575549 0.11939073E-01 0.15000000E+04 0.99999975 13.61215538 1.53576530 0.84968641E-02 0.15500000E+04 0.99999975 13.48573062 1.53577670 0.60728911E-02 0.16000000E+04 0.99999974 13.35927930 1.53577914 0.43625372E-02 0.16500000E+04 0.99999973 13.23279864 1.53578281 0.31518931E-02 0.17000000E+04 0.99999972 13.10628547 1.53579059 0.22914456E-02 0.17500000E+04 0.99999971 12.97973623 1.53579829 0.16769331E-02 0.18000000E+04 0.99999970 12.85314694 1.53581155 0.12356814E-02 0.18500000E+04 0.99999970 12.72651324 1.53583543 0.91698056E-03 0.19000000E+04 0.99999969 12.59983040 1.53586531 0.68536711E-03 0.19500000E+04 0.99999968 12.47309339 1.53588915 0.51596037E-03 0.20000000E+04 0.99999967 12.34629691 1.53591146 0.39123507E-03 0.20500000E+04 0.99999966 12.21943543 1.53594171 0.29879179E-03 0.21000000E+04 0.99999965 12.09250326 1.53597281 0.22981312E-03 0.21500000E+04 0.99999965 11.96549457 1.53600860 0.17799622E-03 0.22000000E+04 0.99999964 11.83840342 1.53605372 0.13881058E-03 0.22500000E+04 0.99999963 11.71122378 1.53610591 0.10898063E-03 0.23000000E+04 0.99999962 11.58394956 1.53615309 0.86124802E-04 0.23500000E+04 0.99999961 11.45657461 1.53619464 0.68500094E-04 0.24000000E+04 0.99999961 11.32909272 1.53624251 0.54823659E-04 0.24500000E+04 0.99999960 11.20149764 1.53629341 0.44145486E-04 0.25000000E+04 0.99999959 11.07378307 1.53634469 0.35757850E-04 0.25500000E+04 0.99999958 10.94594273 1.53640464 0.29130442E-04 0.26000000E+04 0.99999957 10.81797032 1.53647027 0.23863620E-04 0.26500000E+04 0.99999956 10.68985961 1.53653312 0.19654262E-04 0.27000000E+04 0.99999956 10.56160451 1.53658773 0.16272069E-04 0.27500000E+04 0.99999955 10.43319910 1.53664581 0.13539894E-04 0.28000000E+04 0.99999954 10.30463776 1.53671064 0.11321457E-04 0.28500000E+04 0.99999953 10.17591532 1.53677479 0.95111832E-05 0.29000000E+04 0.99999952 10.04702715 1.53684620 0.80268498E-05 0.29500000E+04 0.99999952 9.91796939 1.53692563 0.68038793E-05 0.30000000E+04 0.99999951 9.78873909 1.53700467 0.57920975E-05 0.30500000E+04 0.99999950 9.65933455 1.53707778 0.49512350E-05 0.31000000E+04 0.99999949 9.52975547 1.53715341 0.42494652E-05 0.31500000E+04 0.99999948 9.40000336 1.53724089 0.36613719E-05 0.32000000E+04 0.99999947 9.27008178 1.53733418 0.31665792E-05 0.32500000E+04 0.99999947 9.13999679 1.53743602 0.27486807E-05 0.33000000E+04 0.99999946 9.00975729 1.53755475 0.23943915E-05 0.33500000E+04 0.99999945 8.87937551 1.53768251 0.20928917E-05 0.34000000E+04 0.99999944 8.74886742 1.53781633 0.18353402E-05 0.34500000E+04 0.99999943 8.61825329 1.53796267 0.16145193E-05 0.35000000E+04 0.99999942 8.48755815 1.53813707 0.14245482E-05 0.35500000E+04 0.99999942 8.35681236 1.53833969 0.12603882E-05 0.36000000E+04 0.99999941 8.22605216 1.53857150 0.11185485E-05 0.36500000E+04 0.99999940 8.09532021 1.53884613 0.99544959E-06 0.37000000E+04 0.99999939 7.96466619 1.53916489 0.88827752E-06 0.37500000E+04 0.99999938 7.83414731 1.53952583 0.79466888E-06 0.38000000E+04 0.99999937 7.70382888 1.53994046 0.71266128E-06 0.38500000E+04 0.99999936 7.57378480 1.54042694 0.64063247E-06 0.39000000E+04 0.99999934 7.44409802 1.54099776 0.57722947E-06 0.39500000E+04 0.99999933 7.31486093 1.54165407 0.52110088E-06 0.40000000E+04 0.99999930 7.18617569 1.54241097 0.47167941E-06 0.40500000E+04 0.99999926 7.05815451 1.54327967 0.42789893E-06 0.41000000E+04 0.99999920 6.93091973 1.54425789 0.38900523E-06 0.41500000E+04 0.99999910 6.80460391 1.54535495 0.35433165E-06 0.42000000E+04 0.99999894 6.67934971 1.54658593 0.32330999E-06 0.42500000E+04 0.99999869 6.55530966 1.54796157 0.29549065E-06 0.43000000E+04 0.99999830 6.43264583 1.54947867 0.27053945E-06 0.43500000E+04 0.99999771 6.31152928 1.55113547 0.24799885E-06 0.44000000E+04 0.99999683 6.19213939 1.55293470 0.22801006E-06 0.44500000E+04 0.99999556 6.07466313 1.55486301 0.21008549E-06 0.45000000E+04 0.99999373 5.95929407 1.55690628 0.19392477E-06 0.45500000E+04 0.99999116 5.84623137 1.55906047 0.17926029E-06 0.46000000E+04 0.99998762 5.73567857 1.56131513 0.16589390E-06 0.46500000E+04 0.99998285 5.62784230 1.56365018 0.15369573E-06 0.47000000E+04 0.99997651 5.52293093 1.56603837 0.14257474E-06 0.47500000E+04 0.99996825 5.42115307 1.56845929 0.13244859E-06 0.48000000E+04 0.99995765 5.32271608 1.57088571 0.12323228E-06 0.48500000E+04 0.99994426 5.22782453 1.57328457 0.11484166E-06 0.49000000E+04 0.99992764 5.13667863 1.57563316 0.10719678E-06 0.49500000E+04 0.99990731 5.04947266 1.57791192 0.10021959E-06 0.50000000E+04 0.99988280 4.96639347 1.58009532 0.93628322E-07 0.50500000E+04 0.99985369 4.88761904 1.58215471 0.87768646E-07 0.51000000E+04 0.99981959 4.81331719 1.58406475 0.82368258E-07 0.51500000E+04 0.99978022 4.74364442 1.58580347 0.77377730E-07 0.52000000E+04 0.99973535 4.67874500 1.58734376 0.72760410E-07 0.52500000E+04 0.99968487 4.61875018 1.58866535 0.68484342E-07 0.53000000E+04 0.99962880 4.56377759 1.58975710 0.64514665E-07 0.53500000E+04 0.99956727 4.51393081 1.59060916 0.60815752E-07 0.54000000E+04 0.99950052 4.46929900 1.59121434 0.57358012E-07 0.54500000E+04 0.99942890 4.42995666 1.59157232 0.54121636E-07 0.55000000E+04 0.99935289 4.39596344 1.59169181 0.51102153E-07 0.55500000E+04 0.99927301 4.36736394 1.59158405 0.48111078E-07 0.56000000E+04 0.99918989 4.34418774 1.59126286 0.45521100E-07 0.56500000E+04 0.99910419 4.32644939 1.59074803 0.43145913E-07 0.57000000E+04 0.99901661 4.31414859 1.59005707 0.40962992E-07 0.57500000E+04 0.99892788 4.30727058 1.58920070 0.38958187E-07 0.58000000E+04 0.99883873 4.30578662 1.58818553 0.37110128E-07 0.58500000E+04 0.99874986 4.30965467 1.58701775 0.35349742E-07 0.59000000E+04 0.99866197 4.31882016 1.58570623 0.33704953E-07 0.59500000E+04 0.99857569 4.33321677 1.58426460 0.32196587E-07 0.60000000E+04 0.99849162 4.35276720 1.58271715 0.30654168E-07 0.60500000E+04 0.99841028 4.37738386 1.58109551 0.29140488E-07 0.61000000E+04 0.99833213 4.40696959 1.57942964 0.27869912E-07 0.61500000E+04 0.99825755 4.44141836 1.57774188 0.26556963E-07 0.62000000E+04 0.99818689 4.48061611 1.57604317 0.25023893E-07 0.62500000E+04 0.99812041 4.52444162 1.57433317 0.24143829E-07 0.63000000E+04 0.99805830 4.57276747 1.57260644 0.23202836E-07 0.63500000E+04 0.99800070 4.62546089 1.57086401 0.21773585E-07 0.64000000E+04 0.99794770 4.68238455 1.56912199 0.21053080E-07 0.64500000E+04 0.99789932 4.74339715 1.56740763 0.20831482E-07 0.65000000E+04 0.99785551 4.80835398 1.56574887 0.19449843E-07 0.65500000E+04 0.99781616 4.87710763 1.56416199 0.18316585E-07 0.66000000E+04 0.99778110 4.94950874 1.56264363 0.18988924E-07 0.66500000E+04 0.99775011 5.02540695 1.56117355 0.18564899E-07 0.67000000E+04 0.99772291 5.10465186 1.55972886 0.16583030E-07 ==> ZAnalysis on specular channel fixed at Z = 0.16800000E+02 0.67500000E+04 0.99769919 5.18709383 1.55830232 0.17983927E-07 0.68000000E+04 0.99767861 5.27258449 1.55691027 0.21561886E-07 0.68500000E+04 0.99766080 5.36097697 1.55558484 0.20736960E-07 0.69000000E+04 0.99764541 5.45212610 1.55435567 0.20770525E-07 0.69500000E+04 0.99763207 5.54588848 1.55323121 0.32423928E-07 0.70000000E+04 0.99762042 5.64212275 1.55219168 0.48971736E-07 0.70500000E+04 0.99761014 5.74069001 1.55119974 0.60160034E-07 0.71000000E+04 0.99760085 5.84145422 1.55022347 0.83240967E-07 0.71500000E+04 0.99759221 5.94428255 1.54925657 0.14327811E-06 0.72000000E+04 0.99758380 6.04904560 1.54832101 0.23242590E-06 0.72500000E+04 0.99757519 6.15561744 1.54745119 0.33321017E-06 0.73000000E+04 0.99756585 6.26387559 1.54667015 0.47344776E-06 0.73500000E+04 0.99755513 6.37370088 1.54597324 0.70720921E-06 0.74000000E+04 0.99754228 6.48497741 1.54533050 0.10438261E-05 0.74500000E+04 0.99752637 6.59759243 1.54470673 0.14484383E-05 0.75000000E+04 0.99750628 6.71143623 1.54408542 0.19211682E-05 0.75500000E+04 0.99748071 6.82640196 1.54347865 0.25235763E-05 0.76000000E+04 0.99744807 6.94238541 1.54291601 0.32998341E-05 0.76500000E+04 0.99740656 7.05928481 1.54242148 0.42077297E-05 0.77000000E+04 0.99735407 7.17700068 1.54199445 0.51630553E-05 0.77500000E+04 0.99728821 7.29543582 1.54160799 0.61345891E-05 0.78000000E+04 0.99720629 7.41449530 1.54122637 0.71634448E-05 0.78500000E+04 0.99710533 7.53408658 1.54083001 0.82991816E-05 0.79000000E+04 0.99698206 7.65411960 1.54042922 0.95564145E-05 0.79500000E+04 0.99683292 7.77450689 1.54005575 0.10960345E-04 0.80000000E+04 0.99665414 7.89516368 1.53973920 0.12651221E-04 0.80500000E+04 0.99644168 8.01600800 1.53948550 0.14986835E-04 0.81000000E+04 0.99619134 8.13696086 1.53927189 0.18609432E-04 0.81500000E+04 0.99589871 8.25794641 1.53906198 0.24465430E-04 0.82000000E+04 0.99555929 8.37889216 1.53883109 0.33777133E-04 0.82500000E+04 0.99516843 8.49972915 1.53858330 0.48025468E-04 0.83000000E+04 0.99472140 8.62039213 1.53834698 0.69037034E-04 0.83500000E+04 0.99421345 8.74081960 1.53815245 0.99158805E-04 0.84000000E+04 0.99363978 8.86095389 1.53800949 0.14133278E-03 0.84500000E+04 0.99299554 8.98074110 1.53789995 0.19888829E-03 0.85000000E+04 0.99227592 9.10013098 1.53779028 0.27512035E-03 0.85500000E+04 0.99147606 9.21907676 1.53765576 0.37295150E-03 0.86000000E+04 0.99059106 9.33753490 1.53749882 0.49491318E-03 0.86500000E+04 0.98961598 9.45546475 1.53734699 0.64329816E-03 0.87000000E+04 0.98854577 9.57282816 1.53723137 0.82009712E-03 0.87500000E+04 0.98737525 9.68958909 1.53716315 0.10265632E-02 0.88000000E+04 0.98609904 9.80571308 1.53712512 0.12626931E-02 0.88500000E+04 0.98471150 9.92116675 1.53708328 0.15270864E-02 0.89000000E+04 0.98320663 10.03591723 1.53701086 0.18173745E-02 0.89500000E+04 0.98157801 10.14993155 1.53690815 0.21309524E-02 0.90000000E+04 0.97981863 10.26317589 1.53680258 0.24655140E-02 0.90500000E+04 0.97792084 10.37561493 1.53672805 0.28191832E-02 0.91000000E+04 0.97587615 10.48721110 1.53669976 0.31904137E-02 0.91500000E+04 0.97367521 10.59792407 1.53670341 0.35779632E-02 0.92000000E+04 0.97130769 10.70771035 1.53670519 0.39811454E-02 0.92500000E+04 0.96876228 10.81652328 1.53667528 0.44003001E-02 0.93000000E+04 0.96602677 10.92431334 1.53660926 0.48371838E-02 0.93500000E+04 0.96308816 11.03102888 1.53653117 0.52950649E-02 0.94000000E+04 0.95993287 11.13661718 1.53647510 0.57784746E-02 0.94500000E+04 0.95654704 11.24102578 1.53645959 0.62926321E-02 0.95000000E+04 0.95291678 11.34420395 1.53647490 0.68427139E-02 0.95500000E+04 0.94902855 11.44610421 1.53649109 0.74331272E-02 0.96000000E+04 0.94486943 11.54668362 1.53647992 0.80668352E-02 0.96500000E+04 0.94042744 11.64590496 1.53643580 0.87448328E-02 0.97000000E+04 0.93569174 11.74373744 1.53638022 0.94658531E-02 0.97500000E+04 0.93065282 11.84015711 1.53634496 0.10226213E-01 0.98000000E+04 0.92530258 11.93514689 1.53634698 0.11019779E-01 0.98500000E+04 0.91963433 12.02869609 1.53637515 0.11838088E-01 0.99000000E+04 0.91364274 12.12079977 1.53639859 0.12670626E-01 0.99500000E+04 0.90732371 12.21145761 1.53638907 0.13505399E-01 0.10000000E+05 0.90067417 12.30067276 1.53634234 0.14329822E-01 0.10050000E+05 0.89369186 12.38845049 1.53628290 0.15131787E-01 0.10100000E+05 0.88637515 12.47479689 1.53624682 0.15900772E-01 0.10150000E+05 0.87872283 12.55971773 1.53625447 0.16628849E-01 0.10200000E+05 0.87073396 12.64321752 1.53629480 0.17311370E-01 0.10250000E+05 0.86240774 12.72529880 1.53633322 0.17947230E-01 0.10300000E+05 0.85374354 12.80596189 1.53633615 0.18538645E-01 0.10350000E+05 0.84474093 12.88520491 1.53629489 0.19090441E-01 0.10400000E+05 0.83539985 12.96302420 1.53623292 0.19609035E-01 0.10450000E+05 0.82572083 13.03941514 1.53618956 0.20101353E-01 0.10500000E+05 0.81570541 13.11437335 1.53619088 0.20573866E-01 0.10550000E+05 0.80535654 13.18789629 1.53623029 0.21031969E-01 0.10600000E+05 0.79467913 13.25998507 1.53627392 0.21479722E-01 0.10650000E+05 0.78368059 13.33064655 1.53628552 0.21919816E-01 0.10700000E+05 0.77237130 13.39989527 1.53625229 0.22353604E-01 0.10750000E+05 0.76076498 13.46775526 1.53619442 0.22781153E-01 0.10800000E+05 0.74887890 13.53426130 1.53615090 0.23201264E-01 0.10850000E+05 0.73673381 13.59945939 1.53615004 0.23611593E-01 0.10900000E+05 0.72435364 13.66340645 1.53618778 0.24008931E-01 0.10950000E+05 0.71176492 13.72616902 1.53623106 0.24389560E-01 0.11000000E+05 0.69899607 13.78782113 1.53624300 0.24749619E-01 0.11050000E+05 0.68607646 13.84844141 1.53621001 0.25085417E-01 0.11100000E+05 0.67303552 13.90810981 1.53615240 0.25393679E-01 0.11150000E+05 0.65990188 13.96690423 1.53611064 0.25671813E-01 0.11200000E+05 0.64670258 14.02489729 1.53611514 0.25918186E-01 0.11250000E+05 0.63346252 14.08215367 1.53616188 0.26132315E-01 0.11300000E+05 0.62020413 14.13872820 1.53621428 0.26314836E-01 0.11350000E+05 0.60694727 14.19466483 1.53622969 0.26467178E-01 0.11400000E+05 0.59370932 14.24999657 1.53619042 0.26591081E-01 0.11450000E+05 0.58050548 14.30474636 1.53611745 0.26688182E-01 0.11500000E+05 0.56734923 14.35892875 1.53605806 0.26759831E-01 0.11550000E+05 0.55425280 14.41255221 1.53605357 0.26807221E-01 0.11600000E+05 0.54122774 14.46562182 1.53610852 0.26831803E-01 0.11650000E+05 0.52828544 14.51814213 1.53618582 0.26835742E-01 0.11700000E+05 0.51543745 14.57011994 1.53623171 0.26822085E-01 0.11750000E+05 0.50269588 14.62156673 1.53621199 0.26794419E-01 0.11800000E+05 0.49007342 14.67250048 1.53613511 0.26756031E-01 0.11850000E+05 0.47758344 14.72294687 1.53604817 0.26708877E-01 0.11900000E+05 0.46523973 14.77293967 1.53600706 0.26652926E-01 0.11950000E+05 0.45305632 14.82252024 1.53603819 0.26586289E-01 0.12000000E+05 0.44104703 14.87173648 1.53611974 0.26506197E-01 0.12050000E+05 0.42922518 14.92064103 1.53619671 0.26410298E-01 0.12100000E+05 0.41760312 14.96928915 1.53621770 0.26297528E-01 0.12150000E+05 0.40619191 15.01773634 1.53616823 0.26168143E-01 0.12200000E+05 0.39500106 15.06603604 1.53608035 0.26023062E-01 0.12250000E+05 0.38403831 15.11423750 1.53601209 0.25863102E-01 0.12300000E+05 0.37330964 15.16238403 1.53600765 0.25688661E-01 0.12350000E+05 0.36281921 15.21051177 1.53606660 0.25500013E-01 0.12400000E+05 0.35256960 15.25864902 1.53614572 0.25297904E-01 0.12450000E+05 0.34256196 15.30681611 1.53619014 0.25083880E-01 0.12500000E+05 0.33279630 15.35502580 1.53617011 0.24859977E-01 0.12550000E+05 0.32327177 15.40328409 1.53610024 0.24627924E-01 0.12600000E+05 0.31398689 15.45159126 1.53602927 0.24388433E-01 0.12650000E+05 0.30493982 15.49994317 1.53600553 0.24141091E-01 0.12700000E+05 0.29612849 15.54833248 1.53604205 0.23884956E-01 0.12750000E+05 0.28755072 15.59674986 1.53610918 0.23619478E-01 0.12800000E+05 0.27920421 15.64518499 1.53615796 0.23345155E-01 0.12850000E+05 0.27108657 15.69362736 1.53615400 0.23063423E-01 0.12900000E+05 0.26319522 15.74206682 1.53609949 0.22775839E-01 0.12950000E+05 0.25552731 15.79049383 1.53603120 0.22483075E-01 0.13000000E+05 0.24807964 15.83889954 1.53599460 0.22184419E-01 0.13050000E+05 0.24084864 15.88727568 1.53601121 0.21878118E-01 0.13100000E+05 0.23383033 15.93561431 1.53606489 0.21562354E-01 0.13150000E+05 0.22702036 15.98390762 1.53611629 0.21236337E-01 0.13200000E+05 0.22041412 16.03214770 1.53612978 0.20900885E-01 0.13250000E+05 0.21400679 16.08032639 1.53609482 0.20558227E-01 0.13300000E+05 0.20779349 16.12843529 1.53603168 0.20211158E-01 0.13350000E+05 0.20176939 16.17646571 1.53597796 0.19862060E-01 0.13400000E+05 0.19592971 16.22440881 1.53596302 0.19512248E-01 0.13450000E+05 0.19026980 16.27225569 1.53598972 0.19161856E-01 0.13500000E+05 0.18478509 16.31999737 1.53603661 0.18810129E-01 0.13550000E+05 0.17947104 16.36762474 1.53607281 0.18455899E-01 0.13600000E+05 0.17432307 16.41512824 1.53607413 0.18098081E-01 0.13650000E+05 0.16933650 16.46249737 1.53603594 0.17736069E-01 0.13700000E+05 0.16450652 16.50971999 1.53597638 0.17370012E-01 0.13750000E+05 0.15982815 16.55678161 1.53592491 0.17000925E-01 0.13800000E+05 0.15529632 16.60366471 1.53590504 0.16630592E-01 0.13850000E+05 0.15090587 16.65034840 1.53592378 0.16261189E-01 0.13900000E+05 0.14665169 16.69680861 1.53596886 0.15894719E-01 0.13950000E+05 0.14252879 16.74301875 1.53601177 0.15532442E-01 0.14000000E+05 0.13853237 16.78895093 1.53602176 0.15174567E-01 0.14050000E+05 0.13465789 16.83457746 1.53598607 0.14820346E-01 0.14100000E+05 0.13090106 16.87987248 1.53591911 0.14468537E-01 0.14150000E+05 0.12725787 16.92481315 1.53585428 0.14118060E-01 0.14200000E+05 0.12372449 16.96938051 1.53582642 0.13768529E-01 0.14250000E+05 0.12029727 17.01355952 1.53585181 0.13420431E-01 0.14300000E+05 0.11697270 17.05733857 1.53591360 0.13074925E-01 0.14350000E+05 0.11374729 17.10070840 1.53596835 0.12733410E-01 0.14400000E+05 0.11061766 17.14366081 1.53597586 0.12397077E-01 0.14450000E+05 0.10758044 17.18618738 1.53592703 0.12066611E-01 0.14500000E+05 0.10463234 17.22827844 1.53584858 0.11742123E-01 0.14550000E+05 0.10177013 17.26992243 1.53578639 0.11423289E-01 0.14600000E+05 0.09899070 17.31110581 1.53577776 0.11109602E-01 0.14650000E+05 0.09629102 17.35181346 1.53582495 0.10800636E-01 0.14700000E+05 0.09366820 17.39202936 1.53589096 0.10496232E-01 0.14750000E+05 0.09111945 17.43173760 1.53592750 0.10196539E-01 0.14800000E+05 0.08864213 17.47092331 1.53591023 0.99019525E-02 0.14850000E+05 0.08623371 17.50957341 1.53585196 0.96129634E-02 0.14900000E+05 0.08389178 17.54767713 1.53579086 0.93300197E-02 0.14950000E+05 0.08161406 17.58522606 1.53576545 0.90534228E-02 0.15000000E+05 0.07939835 17.62221394 1.53578804 0.87832837E-02 0.15050000E+05 0.07724257 17.65863621 1.53583507 0.85195417E-02 0.15100000E+05 0.07514474 17.69448936 1.53586758 0.82620275E-02 0.15150000E+05 0.07310296 17.72977039 1.53586316 0.80105360E-02 0.15200000E+05 0.07111542 17.76447632 1.53582895 0.77648766E-02 0.15250000E+05 0.06918037 17.79860390 1.53579193 0.75248920E-02 0.15300000E+05 0.06729616 17.83214961 1.53577908 0.72904688E-02 0.15350000E+05 0.06546119 17.86510987 1.53579741 0.70615519E-02 0.15400000E+05 0.06367395 17.89748144 1.53582692 0.68381590E-02 0.15450000E+05 0.06193298 17.92926189 1.53583821 0.66203796E-02 0.15500000E+05 0.06023693 17.96045008 1.53581994 0.64083419E-02 0.15550000E+05 0.05858449 17.99104648 1.53578689 0.62021501E-02 0.15600000E+05 0.05697444 18.02105328 1.53576565 0.60018125E-02 0.15650000E+05 0.05540562 18.05047436 1.53577507 0.58071922E-02 0.15700000E+05 0.05387693 18.07931493 1.53581110 0.56180122E-02 0.15750000E+05 0.05238730 18.10758118 1.53584560 0.54339253E-02 0.15800000E+05 0.05093573 18.13527981 1.53584744 0.52546287E-02 0.15850000E+05 0.04952122 18.16241762 1.53581104 0.50799744E-02 0.15900000E+05 0.04814283 18.18900129 1.53576141 0.49100140E-02 0.15950000E+05 0.04679961 18.21503726 1.53573331 0.47449477E-02 0.16000000E+05 0.04549067 18.24053178 1.53574773 0.45849954E-02 0.16050000E+05 0.04421515 18.26549117 1.53579782 0.44302518E-02 0.16100000E+05 0.04297223 18.28992197 1.53584942 0.42806014E-02 0.16150000E+05 0.04176109 18.31383118 1.53586395 0.41357336E-02 0.16200000E+05 0.04058099 18.33722633 1.53583014 0.39952490E-02 0.16250000E+05 0.03943117 18.36011550 1.53577222 0.38588029E-02 0.16300000E+05 0.03831095 18.38250716 1.53572819 0.37262208E-02 0.16350000E+05 0.03721962 18.40441004 1.53572497 0.35975324E-02 0.16400000E+05 0.03615653 18.42583289 1.53576456 0.34729068E-02 0.16450000E+05 0.03512102 18.44678433 1.53582065 0.33525173E-02 0.16500000E+05 0.03411245 18.46727282 1.53585444 0.32364062E-02 0.16550000E+05 0.03313021 18.48730659 1.53584463 0.31244217E-02 0.16600000E+05 0.03217369 18.50689375 1.53580205 0.30162571E-02 0.16650000E+05 0.03124231 18.52604242 1.53575545 0.29115658E-02 0.16700000E+05 0.03033549 18.54476080 1.53573130 0.28100840E-02 0.16750000E+05 0.02945268 18.56305728 1.53574239 0.27116998E-02 0.16800000E+05 0.02859333 18.58094044 1.53577987 0.26164428E-02 0.16850000E+05 0.02775693 18.59841904 1.53581681 0.25244111E-02 0.16900000E+05 0.02694294 18.61550194 1.53582981 0.24356746E-02 0.16950000E+05 0.02615085 18.63219798 1.53581621 0.23501985E-02 0.17000000E+05 0.02538018 18.64851587 1.53578889 0.22678218E-02 0.17050000E+05 0.02463042 18.66446408 1.53576336 0.21882982E-02 0.17100000E+05 0.02390110 18.68005075 1.53575250 0.21113801E-02 0.17150000E+05 0.02319174 18.69528367 1.53576021 0.20368986E-02 0.17200000E+05 0.02250186 18.71017025 1.53577705 0.19647985E-02 0.17250000E+05 0.02183101 18.72471759 1.53579064 0.18951134E-02 0.17300000E+05 0.02117874 18.73893256 1.53579750 0.18278973E-02 0.17350000E+05 0.02054459 18.75282185 1.53579932 0.17631554E-02 0.17400000E+05 0.01992814 18.76639205 1.53579538 0.17008083E-02 0.17450000E+05 0.01932896 18.77964963 1.53578567 0.16407063E-02 0.17500000E+05 0.01874663 18.79260099 1.53577350 0.15826794E-02 0.17550000E+05 0.01818072 18.80525231 1.53576165 0.15265900E-02 0.17600000E+05 0.01763085 18.81760962 1.53575452 0.14723628E-02 0.17650000E+05 0.01709661 18.82967866 1.53576042 0.14199793E-02 0.17700000E+05 0.01657761 18.84146498 1.53578126 0.13694491E-02 0.17750000E+05 0.01607347 18.85297396 1.53580458 0.13207735E-02 0.17800000E+05 0.01558382 18.86421087 1.53581379 0.12739189E-02 0.17850000E+05 0.01510828 18.87518096 1.53580204 0.12288084E-02 0.17900000E+05 0.01464650 18.88588954 1.53577389 0.11853345E-02 0.17950000E+05 0.01419813 18.89634196 1.53574435 0.11433874E-02 0.18000000E+05 0.01376283 18.90654360 1.53573456 0.11028841E-02 0.18050000E+05 0.01334025 18.91649980 1.53575428 0.10637813E-02 0.18100000E+05 0.01293008 18.92621579 1.53578964 0.10260685E-02 0.18150000E+05 0.01253197 18.93569662 1.53581583 0.98974311E-03 0.18200000E+05 0.01214563 18.94494717 1.53581765 0.95478547E-03 0.18250000E+05 0.01177072 18.95397217 1.53579502 0.92114465E-03 0.18300000E+05 0.01140696 18.96277621 1.53576105 0.88874361E-03 0.18350000E+05 0.01105404 18.97136383 1.53573848 0.85749885E-03 0.18400000E+05 0.01071167 18.97973949 1.53574292 0.82734228E-03 0.18450000E+05 0.01037956 18.98790764 1.53576765 0.79823231E-03 0.18500000E+05 0.01005743 18.99587268 1.53579320 0.77014971E-03 0.18550000E+05 0.00974502 19.00363891 1.53580640 0.74308400E-03 0.18600000E+05 0.00944205 19.01121059 1.53580365 0.71701980E-03 0.18650000E+05 0.00914826 19.01859181 1.53578726 0.69192926E-03 0.18700000E+05 0.00886340 19.02578660 1.53576762 0.66777080E-03 0.18750000E+05 0.00858721 19.03279888 1.53575720 0.64449269E-03 0.18800000E+05 0.00831946 19.03963251 1.53575781 0.62204047E-03 0.18850000E+05 0.00805990 19.04629137 1.53576441 0.60036646E-03 0.18900000E+05 0.00780831 19.05277930 1.53577615 0.57943747E-03 0.18950000E+05 0.00756445 19.05910016 1.53579197 0.55923679E-03 0.19000000E+05 0.00732810 19.06525775 1.53580308 0.53975920E-03 0.19050000E+05 0.00709905 19.07125584 1.53580122 0.52100094E-03 0.19100000E+05 0.00687709 19.07709806 1.53578740 0.50294924E-03 0.19150000E+05 0.00666201 19.08278797 1.53576725 0.48557619E-03 0.19200000E+05 0.00645360 19.08832899 1.53574970 0.46884013E-03 0.19250000E+05 0.00625168 19.09372445 1.53574850 0.45269456E-03 0.19300000E+05 0.00605605 19.09897761 1.53576970 0.43709968E-03 0.19350000E+05 0.00586653 19.10409160 1.53579979 0.42203015E-03 0.19400000E+05 0.00568293 19.10906953 1.53581750 0.40747549E-03 0.19450000E+05 0.00550508 19.11391437 1.53581277 0.39343426E-03 0.19500000E+05 0.00533281 19.11862904 1.53578909 0.37990608E-03 0.19550000E+05 0.00516594 19.12321629 1.53575943 0.36688507E-03 0.19600000E+05 0.00500432 19.12767880 1.53574361 0.35435637E-03 0.19650000E+05 0.00484778 19.13201907 1.53575389 0.34229613E-03 0.19700000E+05 0.00469617 19.13623950 1.53578151 0.33067488E-03 0.19750000E+05 0.00454934 19.14034238 1.53580653 0.31946289E-03 0.19800000E+05 0.00440714 19.14432991 1.53581670 0.30863540E-03 0.19850000E+05 0.00426944 19.14820422 1.53580967 0.29817548E-03 0.19900000E+05 0.00413608 19.15196739 1.53578902 0.28807388E-03 0.19950000E+05 0.00400695 19.15562146 1.53576682 0.27832635E-03 0.20000000E+05 0.00388190 19.15916839 1.53575704 0.26892998E-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 -0.003812 2.66049 2 0.1554312 -0.017189 2.12090 3 0.1597487 -0.018857 1.60609 4 0.1640662 -0.010454 1.10582 5 0.1683837 0.001533 0.60988 6 0.1727013 0.009863 0.11283 7 0.1770188 0.010630 -0.38197 8 0.1813363 0.004946 -0.86367 9 0.1856539 -0.002520 -1.32240 10 0.1899714 -0.006854 -1.75743 11 0.1942889 -0.005857 -2.17743 12 0.1986065 -0.000988 -2.59431 13 0.2029240 0.003959 -3.01489 14 0.2072415 0.005466 2.84852 15 0.2115591 0.002666 2.44213 16 0.2158766 -0.001994 2.05719 17 0.2201941 -0.004513 1.68927 18 0.2245117 -0.002653 1.32577 19 0.2288292 0.001821 0.95725 20 0.2331467 0.004453 0.58712 21 0.2374643 0.002429 0.22889 22 0.2417818 -0.002183 -0.10939 23 0.2460993 -0.004270 -0.43443 24 0.2504169 -0.001361 -0.76026 25 0.2547344 0.003170 -1.09304 26 0.2590519 0.003799 -1.42299 27 0.2633695 -0.000316 -1.73605 28 0.2676870 -0.003928 -2.03220 29 0.2720045 -0.002276 -2.32535 30 0.2763221 0.002468 -2.62644 31 0.2806396 0.003828 -2.92890 32 0.2849571 -0.000120 3.06656 33 0.2892746 -0.003821 2.79649 34 0.2935922 -0.001971 2.52985 35 0.2979097 0.002702 2.25430 36 0.3022272 0.003231 1.97697 37 0.3065448 -0.001207 1.71496 38 0.3108623 -0.003855 1.46942 39 0.3151798 -0.000637 1.22392 40 0.3194974 0.003394 0.96809 41 0.3238149 0.001863 0.71396 42 0.3281324 -0.002736 0.47777 43 0.3324500 -0.002932 0.25395 44 0.3367675 0.001567 0.02368 45 0.3410850 0.003287 -0.21604 46 0.3454026 -0.000615 -0.44646 47 0.3497201 -0.003506 -0.65815 48 0.3540376 -0.000489 -0.86686 49 0.3583552 0.003165 -1.08814 50 0.3626727 0.001092 -1.31094 51 0.3669902 -0.003034 -1.51550 52 0.3713078 -0.001936 -1.70815 53 0.3756253 0.002342 -1.91064 54 0.3799428 0.002084 -2.12299 55 0.3842604 -0.002173 -2.32182 56 0.3885779 -0.002624 -2.50270 57 0.3928954 0.001503 -2.68840 58 0.3972129 0.002550 -2.88889 59 0.4015305 -0.001321 -3.08166 60 0.4058480 -0.002730 3.03001 61 0.4101655 0.000977 2.85845 62 0.4144831 0.002739 2.66916 63 0.4188006 -0.000702 2.48253 64 0.4231181 -0.002600 2.31917 65 0.4274357 0.000714 2.15944 66 0.4317532 0.002775 1.97991 67 0.4360707 -0.000297 1.79969 68 0.4403883 -0.002217 1.64481 69 0.4447058 0.000975 1.49567 70 0.4490233 0.003113 1.32442 71 0.4533409 0.000296 1.15152 72 0.4576584 -0.001332 1.00714 73 0.4619759 0.001989 0.86894 74 0.4662935 0.004134 0.70591 75 0.4706110 0.001657 0.54328 76 0.4749285 0.000744 0.41393 77 0.4792461 0.004438 0.28931 78 0.4835636 0.006531 0.13574 79 0.4878811 0.004542 -0.01527 80 0.4921987 0.004576 -0.13300 81 0.4965162 0.008143 -0.25948 82 0.5008337 0.009005 -0.42888 83 0.5051512 0.006730 -0.58654 84 0.5094688 0.007868 -0.70082 85 0.5137863 0.012080 -0.83204 86 0.5181038 0.013013 -1.00347 87 0.5224214 0.012108 -1.13989 88 0.5267389 0.015430 -1.23584 89 0.5310564 0.020421 -1.37592 90 0.5353740 0.021428 -1.55817 91 0.5396915 0.021650 -1.68621 92 0.5440090 0.025218 -1.79534 93 0.5483266 0.027642 -1.97646 ******************************************************************************** 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 0.9945591E+00 0.8799366E-02 0.4944604E+00 1 0.9102916E-05 0.1148836E-01 0.5787390E-01 2 0.0000000E+00 0.0000000E+00 0.0000000E+00 ************************************ diffraction summed probabilities ************************************ v irot j m probability 0 43 0 0 0.2257839E-05 0 31 2 -2 0.8667930E-07 0 37 2 -1 0.1178591E-05 0 44 2 0 0.2123562E-05 0 50 2 1 0.8992600E-05 0 56 2 2 0.2358018E-05 0 21 4 -4 0.6752934E-08 0 26 4 -3 0.4154415E-07 0 32 4 -2 0.2669273E-06 0 38 4 -1 0.1031202E-05 0 45 4 0 0.4533334E-05 0 51 4 1 0.2534582E-04 0 57 4 2 0.4583911E-04 0 62 4 3 0.3966282E-04 0 67 4 4 0.3746969E-05 0 13 6 -6 0.2603494E-09 0 17 6 -5 0.1117281E-08 0 22 6 -4 0.6922373E-08 0 27 6 -3 0.1833425E-07 0 33 6 -2 0.1472403E-06 0 39 6 -1 0.3977515E-06 0 46 6 0 0.6187757E-05 0 52 6 1 0.2671306E-04 0 58 6 2 0.3550354E-03 0 63 6 3 0.1183758E-02 0 68 6 4 0.8465685E-03 0 72 6 5 0.8091156E-04 0 76 6 6 0.4217274E-04 0 7 8 -8 0.6236664E-12 0 10 8 -7 0.2703500E-11 0 14 8 -6 0.1425408E-10 0 18 8 -5 0.4802085E-10 0 23 8 -4 0.1701045E-08 0 28 8 -3 0.5921652E-08 0 34 8 -2 0.3053230E-06 0 40 8 -1 0.1941452E-06 0 47 8 0 0.1782590E-04 0 53 8 1 0.1138559E-03 0 59 8 2 0.4947105E-02 0 64 8 3 0.5006415E-01 0 69 8 4 0.8558526E+00 0 73 8 5 0.7515536E-01 0 77 8 6 0.5549093E-02 0 80 8 7 0.1761689E-03 0 83 8 8 0.3092228E-05 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 0.6444742E-06 1 31 2 -2 0.2837718E-08 1 37 2 -1 0.9335838E-08 1 44 2 0 0.1247375E-06 1 50 2 1 0.6282497E-05 1 56 2 2 0.4235950E-06 1 21 4 -4 0.6065841E-11 1 26 4 -3 0.9788381E-11 1 32 4 -2 0.9884359E-09 1 38 4 -1 0.7215609E-09 1 45 4 0 0.4916731E-08 1 51 4 1 0.5518495E-07 1 57 4 2 0.2621202E-06 1 62 4 3 0.7627969E-06 1 67 4 4 0.5286934E-06 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 0.3106661E-16 1 0.1433261E-07 2 0.7723105E-06 3 0.1220247E-05 4 0.1720481E-06 5 0.3240750E-07 6 0.2091004E-07 7 0.1786501E-07 8 0.5988588E-08 9 0.1728929E-08 v, j, mj = 0 2 -2 0 0.1118537E-08 1 0.1328222E-08 2 0.3672269E-08 3 0.3612425E-07 4 0.2571740E-07 5 0.5994043E-08 6 0.5836984E-08 7 0.4409497E-08 8 0.1328729E-08 9 0.1149379E-08 v, j, mj = 0 2 -1 0 0.1249830E-15 1 0.3004847E-08 2 0.1513512E-06 3 0.6919721E-06 4 0.2748415E-06 5 0.3790316E-07 6 0.8971813E-08 7 0.5883733E-08 8 0.3420569E-08 9 0.1242491E-08 v, j, mj = 0 2 0 0 0.1797695E-15 1 0.3217573E-07 2 0.6067420E-06 3 0.1127471E-05 4 0.2327862E-06 5 0.5548585E-07 6 0.4562444E-07 7 0.1816983E-07 8 0.4669174E-08 9 0.4385139E-09 v, j, mj = 0 2 1 0 0.2944068E-08 1 0.6049431E-06 2 0.5736218E-05 3 0.2383200E-05 4 0.6983257E-07 5 0.4849040E-07 6 0.9838583E-07 7 0.3679633E-07 8 0.9879870E-08 9 0.1910997E-08 v, j, mj = 0 2 2 0 0.1196525E-15 1 0.7596599E-06 2 0.1089329E-05 3 0.3260941E-06 4 0.4045380E-07 5 0.7426896E-07 6 0.5911511E-07 7 0.7235262E-08 8 0.1562018E-08 9 0.3001098E-09 v, j, mj = 0 4 -4 0 0.6384256E-16 1 0.1795057E-09 2 0.4404619E-09 3 0.5334701E-09 4 0.9559545E-09 5 0.1015708E-08 6 0.1032994E-08 7 0.7630315E-09 8 0.1209165E-08 9 0.6226431E-09 v, j, mj = 0 4 -3 0 0.1470932E-15 1 0.2012799E-08 2 0.5182545E-08 3 0.3834115E-08 4 0.1053392E-07 5 0.3377294E-08 6 0.4176700E-08 7 0.7309904E-08 8 0.3455515E-08 9 0.1661359E-08 v, j, mj = 0 4 -2 0 0.3655105E-08 1 0.6578514E-08 2 0.8082083E-08 3 0.9221204E-07 4 0.1073222E-06 5 0.1692960E-07 6 0.1993625E-07 7 0.5908768E-08 8 0.3851298E-08 9 0.2451410E-08 v, j, mj = 0 4 -1 0 0.6072339E-17 1 0.2763864E-08 2 0.7963000E-07 3 0.5076812E-06 4 0.3029209E-06 5 0.6249279E-07 6 0.3745008E-07 7 0.2889654E-07 8 0.7796068E-08 9 0.1570565E-08 v, j, mj = 0 4 0 0 0.5444020E-15 1 0.1442131E-07 2 0.1206182E-05 3 0.2442281E-05 4 0.7604892E-06 5 0.5736455E-07 6 0.4329209E-07 7 0.7404060E-08 8 0.1457592E-08 9 0.4418201E-09 v, j, mj = 0 4 1 0 0.1284188E-07 1 0.6870182E-06 2 0.1342607E-04 3 0.9140926E-05 4 0.1638426E-05 5 0.2625664E-06 6 0.1380516E-06 7 0.2985001E-07 8 0.9066255E-08 9 0.1002269E-08 v, j, mj = 0 4 2 0 0.7355774E-15 1 0.1628358E-04 2 0.2146514E-04 3 0.5379068E-05 4 0.2360720E-05 5 0.2749195E-06 6 0.6447074E-07 7 0.1030178E-07 8 0.7260166E-09 9 0.1891136E-09 v, j, mj = 0 4 3 0 0.1573479E-15 1 0.2612364E-04 2 0.1113269E-04 3 0.1434239E-05 4 0.6750985E-06 5 0.1246023E-06 6 0.1523806E-06 7 0.1596620E-07 8 0.3570307E-08 9 0.6391811E-09 v, j, mj = 0 4 4 0 0.1591793E-05 1 0.1821177E-06 2 0.1197725E-05 3 0.6380844E-06 4 0.4301783E-07 5 0.6496426E-07 6 0.2211399E-07 7 0.5534482E-08 8 0.1166487E-08 9 0.4516741E-09 v, j, mj = 0 6 -6 0 0.7538196E-16 1 0.1697590E-12 2 0.3675456E-11 3 0.7434322E-11 4 0.2016465E-10 5 0.1106240E-10 6 0.5057948E-10 7 0.1381977E-09 8 0.2906562E-10 9 0.0000000E+00 v, j, mj = 0 6 -5 0 0.5452704E-12 1 0.2007390E-10 2 0.7327891E-10 3 0.1228278E-09 4 0.1613107E-09 5 0.1102896E-09 6 0.2090064E-09 7 0.3936944E-09 8 0.2625436E-10 9 0.0000000E+00 v, j, mj = 0 6 -4 0 0.2136825E-15 1 0.3216997E-09 2 0.7154202E-09 3 0.1058314E-08 4 0.6824647E-09 5 0.9281252E-09 6 0.1186512E-08 7 0.2010545E-08 8 0.1929139E-10 9 0.0000000E+00 v, j, mj = 0 6 -3 0 0.2492978E-15 1 0.1920426E-08 2 0.4392461E-08 3 0.3245080E-08 4 0.1450302E-08 5 0.2225694E-08 6 0.2734617E-08 7 0.2290679E-08 8 0.7498833E-10 9 0.0000000E+00 v, j, mj = 0 6 -2 0 0.1678664E-07 1 0.8181164E-08 2 0.2957235E-07 3 0.1148090E-07 4 0.2678657E-07 5 0.2925933E-07 6 0.1618704E-07 7 0.8907119E-08 8 0.7915239E-10 9 0.0000000E+00 v, j, mj = 0 6 -1 0 0.9247630E-16 1 0.2699218E-07 2 0.9487069E-07 3 0.1902402E-06 4 0.5253640E-07 5 0.1916447E-07 6 0.1028325E-07 7 0.3548094E-08 8 0.1162615E-09 9 0.0000000E+00 v, j, mj = 0 6 0 0 0.3264426E-14 1 0.1817822E-06 2 0.3008839E-05 3 0.1540368E-05 4 0.9970229E-06 5 0.3802240E-06 6 0.6564178E-07 7 0.1373683E-07 8 0.1418850E-09 9 0.0000000E+00 v, j, mj = 0 6 1 0 0.1360694E-07 1 0.2264171E-05 2 0.1123932E-04 3 0.1147931E-04 4 0.1589845E-05 5 0.9655520E-07 6 0.2733977E-07 7 0.2768761E-08 8 0.1446532E-09 9 0.0000000E+00 v, j, mj = 0 6 2 0 0.2165798E-13 1 0.1050213E-03 2 0.1868201E-03 3 0.5550072E-04 4 0.7286424E-05 5 0.3258675E-06 6 0.4109360E-07 7 0.3862859E-07 8 0.1192227E-08 9 0.0000000E+00 v, j, mj = 0 6 3 0 0.1313044E-15 1 0.4928137E-03 2 0.5738862E-03 3 0.1070282E-03 4 0.9567566E-05 5 0.4295691E-06 6 0.2508026E-07 7 0.7334934E-08 8 0.2990881E-09 9 0.0000000E+00 v, j, mj = 0 6 4 0 0.3202308E-03 1 0.1884421E-03 2 0.2042502E-03 3 0.1149833E-03 4 0.1836370E-04 5 0.2658402E-06 6 0.2103668E-07 7 0.1142139E-07 8 0.1160408E-09 9 0.0000000E+00 v, j, mj = 0 6 5 0 0.1078261E-15 1 0.1901627E-04 2 0.1772022E-04 3 0.3535262E-04 4 0.8026449E-05 5 0.7456933E-06 6 0.4207074E-07 7 0.7917955E-08 8 0.3182383E-09 9 0.0000000E+00 v, j, mj = 0 6 6 0 0.2174187E-14 1 0.1750544E-05 2 0.5917921E-05 3 0.2229070E-04 4 0.1132544E-04 5 0.8616204E-06 6 0.1798463E-07 7 0.8298292E-08 8 0.2223078E-09 9 0.0000000E+00 v, j, mj = 0 8 -8 0 0.2693751E-14 1 0.1285805E-13 2 0.1487283E-13 3 0.4792542E-13 4 0.2188685E-12 5 0.3264478E-12 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -7 0 0.4235752E-17 1 0.2586988E-13 2 0.3428591E-13 3 0.8028847E-13 4 0.9317364E-12 5 0.1631315E-11 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -6 0 0.1503528E-16 1 0.1938036E-12 2 0.5452814E-12 3 0.5743390E-12 4 0.5536416E-11 5 0.7404230E-11 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -5 0 0.1253614E-12 1 0.1012029E-11 2 0.6622748E-11 3 0.1955152E-11 4 0.1124091E-10 5 0.2706465E-10 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -4 0 0.1799896E-16 1 0.7567564E-10 2 0.4438258E-10 3 0.1639742E-09 4 0.8471916E-09 5 0.5698207E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -3 0 0.1642782E-16 1 0.9790736E-10 2 0.3376311E-08 3 0.1531868E-08 4 0.7270307E-09 5 0.1885349E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -2 0 0.4326557E-07 1 0.3936461E-07 2 0.1222468E-06 3 0.1724842E-07 4 0.6548630E-07 5 0.1771125E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -1 0 0.1292337E-17 1 0.6204147E-07 2 0.9215324E-07 3 0.4579774E-08 4 0.2309872E-07 5 0.1227204E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 0 0 0.1136584E-16 1 0.4774645E-05 2 0.9574152E-05 3 0.1705565E-05 4 0.1608376E-05 5 0.1631636E-06 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 1 0 0.2551823E-06 1 0.2787754E-04 2 0.7144829E-04 3 0.1346924E-04 4 0.7446792E-06 5 0.6096903E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 2 0 0.3272105E-15 1 0.2792266E-02 2 0.1976577E-02 3 0.1695576E-03 4 0.8624910E-05 5 0.7872741E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 3 0 0.8536919E-17 1 0.3325060E-01 2 0.1583907E-01 3 0.9613295E-03 4 0.1302783E-04 5 0.1168146E-06 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 4 0 0.2896654E+00 1 0.4782588E+00 2 0.8521438E-01 3 0.2682989E-02 4 0.3078929E-04 5 0.2537171E-06 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 5 0 0.9030068E-17 1 0.4141167E-01 2 0.3123055E-01 3 0.2482316E-02 4 0.3063921E-04 5 0.1780934E-06 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 6 0 0.2390120E-15 1 0.9591680E-03 2 0.3878769E-02 3 0.6897944E-03 4 0.2111716E-04 5 0.2448236E-06 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 7 0 0.2867990E-06 1 0.6166713E-05 2 0.1161101E-03 3 0.5130882E-04 4 0.2025796E-05 5 0.2706185E-06 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 8 0 0.3715967E-16 1 0.2349607E-06 2 0.1304021E-05 3 0.1242361E-05 4 0.1953305E-06 5 0.1155551E-06 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 0 0 0 0.2544365E-16 1 0.4587506E-06 2 0.1550412E-06 3 0.1655104E-07 4 0.1114530E-07 5 0.2986030E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 2 -2 0 0.2907428E-10 1 0.1327321E-09 2 0.1856263E-10 3 0.5441169E-09 4 0.2113233E-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 0.4632442E-17 1 0.3023908E-08 2 0.1819336E-08 3 0.7712516E-09 4 0.3721343E-08 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 2 0 0 0.1593063E-16 1 0.5033278E-07 2 0.4050678E-07 3 0.6371324E-08 4 0.2752660E-07 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 2 1 0 0.4913189E-08 1 0.5800224E-05 2 0.3989413E-06 3 0.6697758E-07 4 0.1144143E-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 0.2564632E-16 1 0.2474537E-06 2 0.1502842E-06 3 0.1986421E-07 4 0.5992792E-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 0.1196576E-18 1 0.2845217E-11 2 0.3220624E-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 4 -3 0 0.2033143E-18 1 0.6669551E-12 2 0.9121426E-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 4 -2 0 0.8900208E-10 1 0.2304083E-09 2 0.6690256E-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 0.8545996E-20 1 0.1804275E-10 2 0.7035181E-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 0.2540344E-18 1 0.3008161E-08 2 0.1908570E-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 0.1220182E-08 1 0.4671821E-07 2 0.7246561E-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 2 0 0.3144475E-18 1 0.2056097E-06 2 0.5651045E-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 0.2768705E-19 1 0.7410988E-06 2 0.2169804E-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 4 0 0.1678294E-06 1 0.3020621E-06 2 0.5880186E-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 = 0.9945683 average vibrational energy (ev) = 0.000005 average rotational energy (ev) = 0.494456 average diffraction energy (ev) = 0.008799 the reaction probability = 0.5431748D-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 0.1001022E+01 0.1264700E-01 0.4931280E+00 1 0.6041436E-04 0.1187406E-01 0.1155645E+00 2 0.0000000E+00 0.0000000E+00 0.0000000E+00 ************************************ diffraction summed probabilities ************************************ v irot j m probability 0 43 0 0 0.1492592E-04 0 31 2 -2 0.5136612E-06 0 37 2 -1 0.8427284E-05 0 44 2 0 0.1369295E-04 0 50 2 1 0.5808964E-04 0 56 2 2 0.1220855E-04 0 21 4 -4 0.1925049E-07 0 26 4 -3 0.2662809E-06 0 32 4 -2 0.2902080E-05 0 38 4 -1 0.1014608E-04 0 45 4 0 0.2627670E-04 0 51 4 1 0.1316142E-03 0 57 4 2 0.2185002E-03 0 62 4 3 0.1544457E-03 0 67 4 4 0.2274746E-04 0 13 6 -6 0.5986861E-09 0 17 6 -5 0.2765813E-08 0 22 6 -4 0.1554802E-07 0 27 6 -3 0.4947147E-07 0 33 6 -2 0.2729943E-06 0 39 6 -1 0.3293682E-05 0 46 6 0 0.4418545E-04 0 52 6 1 0.1800296E-03 0 58 6 2 0.1649229E-02 0 63 6 3 0.3201761E-02 0 68 6 4 0.2732795E-02 0 72 6 5 0.3025411E-03 0 76 6 6 0.1212235E-03 0 7 8 -8 0.5512685E-11 0 10 8 -7 0.8583827E-11 0 14 8 -6 0.3406785E-10 0 18 8 -5 0.1529422E-09 0 23 8 -4 0.2503557E-08 0 28 8 -3 0.1145585E-07 0 34 8 -2 0.3510455E-06 0 40 8 -1 0.8338084E-06 0 47 8 0 0.4705935E-04 0 53 8 1 0.5888916E-03 0 59 8 2 0.1091519E-01 0 64 8 3 0.1046859E+00 0 69 8 4 0.6994652E+00 0 73 8 5 0.1529584E+00 0 77 8 6 0.2180051E-01 0 80 8 7 0.1607229E-02 0 83 8 8 0.4068834E-04 0 3 10 -10 0.3364088E-14 0 5 10 -9 0.3953803E-14 0 8 10 -8 0.5599255E-14 0 11 10 -7 0.7966099E-14 0 15 10 -6 0.6227762E-14 0 19 10 -5 0.5578257E-12 0 24 10 -4 0.5219383E-11 0 29 10 -3 0.1628051E-09 0 35 10 -2 0.2041424E-08 0 41 10 -1 0.5099112E-10 0 48 10 0 0.7571210E-09 0 54 10 1 0.6050510E-08 0 60 10 2 0.3871455E-07 0 65 10 3 0.1847231E-06 0 70 10 4 0.4051738E-06 0 74 10 5 0.4397017E-06 0 78 10 6 0.9908501E-07 0 81 10 7 0.2196669E-07 0 84 10 8 0.3971125E-08 0 86 10 9 0.1900987E-09 0 88 10 10 0.8804200E-09 0 1 12 -12 0.0000000E+00 0 2 12 -11 0.0000000E+00 0 4 12 -10 0.0000000E+00 0 6 12 -9 0.0000000E+00 0 9 12 -8 0.0000000E+00 0 12 12 -7 0.0000000E+00 0 16 12 -6 0.0000000E+00 0 20 12 -5 0.0000000E+00 0 25 12 -4 0.0000000E+00 0 30 12 -3 0.0000000E+00 0 36 12 -2 0.0000000E+00 0 42 12 -1 0.0000000E+00 0 49 12 0 0.0000000E+00 0 55 12 1 0.0000000E+00 0 61 12 2 0.0000000E+00 0 66 12 3 0.0000000E+00 0 71 12 4 0.0000000E+00 0 75 12 5 0.0000000E+00 0 79 12 6 0.0000000E+00 0 82 12 7 0.0000000E+00 0 85 12 8 0.0000000E+00 0 87 12 9 0.0000000E+00 0 89 12 10 0.0000000E+00 0 90 12 11 0.0000000E+00 0 91 12 12 0.0000000E+00 1 43 0 0 0.1136538E-05 1 31 2 -2 0.1993991E-07 1 37 2 -1 0.4391059E-07 1 44 2 0 0.3513671E-06 1 50 2 1 0.1179484E-04 1 56 2 2 0.2678512E-05 1 21 4 -4 0.8050267E-10 1 26 4 -3 0.3916949E-09 1 32 4 -2 0.1606064E-08 1 38 4 -1 0.6731864E-08 1 45 4 0 0.2645695E-07 1 51 4 1 0.1081709E-06 1 57 4 2 0.2367489E-05 1 62 4 3 0.1742168E-04 1 67 4 4 0.2445664E-04 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 0.4782213E-15 1 0.1574565E-06 2 0.5509141E-05 3 0.8540947E-05 4 0.6049712E-06 5 0.6938411E-07 6 0.1920885E-07 7 0.1744320E-07 8 0.5051449E-08 9 0.2320435E-08 v, j, mj = 0 2 -2 0 0.1595690E-08 1 0.2048136E-08 2 0.3025977E-07 3 0.3022866E-06 4 0.1341617E-06 5 0.1081799E-07 6 0.2687825E-07 7 0.3559270E-08 8 0.1045125E-08 9 0.1008667E-08 v, j, mj = 0 2 -1 0 0.1856009E-15 1 0.1585102E-07 2 0.1683064E-05 3 0.5365220E-05 4 0.1289510E-05 5 0.3291778E-07 6 0.2330366E-07 7 0.7540075E-08 8 0.5389240E-08 9 0.4488584E-08 v, j, mj = 0 2 0 0 0.4399086E-15 1 0.1597976E-06 2 0.4151020E-05 3 0.8228651E-05 4 0.1027082E-05 5 0.5566630E-07 6 0.4322114E-07 7 0.2384805E-07 8 0.3002316E-08 9 0.6650945E-09 v, j, mj = 0 2 1 0 0.1766331E-07 1 0.3912487E-05 2 0.4140186E-04 3 0.1217141E-04 4 0.3265345E-06 5 0.1287966E-06 6 0.9001333E-07 7 0.2576171E-07 8 0.1137317E-07 9 0.3744262E-08 v, j, mj = 0 2 2 0 0.1936876E-14 1 0.5379566E-05 2 0.5067360E-05 3 0.1253157E-05 4 0.2805340E-06 5 0.1456753E-06 6 0.4533475E-07 7 0.3400527E-07 8 0.2606579E-08 9 0.3124117E-09 v, j, mj = 0 4 -4 0 0.1728945E-15 1 0.1573449E-08 2 0.1217604E-08 3 0.2983729E-08 4 0.5842380E-08 5 0.2231701E-08 6 0.1465816E-08 7 0.1527609E-08 8 0.1152396E-08 9 0.1255805E-08 v, j, mj = 0 4 -3 0 0.1524308E-14 1 0.1377914E-07 2 0.1269732E-07 3 0.8770660E-07 4 0.1146469E-06 5 0.2153829E-07 6 0.5525858E-08 7 0.5180642E-08 8 0.3338380E-08 9 0.1867787E-08 v, j, mj = 0 4 -2 0 0.3082584E-07 1 0.3383358E-08 2 0.1730869E-06 3 0.1529916E-05 4 0.1020185E-05 5 0.1082872E-06 6 0.1595691E-07 7 0.1163248E-07 8 0.5832571E-08 9 0.2974388E-08 v, j, mj = 0 4 -1 0 0.1220003E-15 1 0.7662679E-07 2 0.1274650E-05 3 0.6037061E-05 4 0.2498416E-05 5 0.1750170E-06 6 0.5075721E-07 7 0.2800318E-07 8 0.4593768E-08 9 0.9583530E-09 v, j, mj = 0 4 0 0 0.2294596E-14 1 0.2806013E-06 2 0.9316336E-05 3 0.1325472E-04 4 0.3199045E-05 5 0.1548260E-06 6 0.5054332E-07 7 0.1760304E-07 8 0.2002636E-08 9 0.1028961E-08 v, j, mj = 0 4 1 0 0.2666243E-07 1 0.6101037E-05 2 0.7980056E-04 3 0.4019416E-04 4 0.5068387E-05 5 0.1828405E-06 6 0.1939403E-06 7 0.3828511E-07 8 0.5966905E-08 9 0.2340822E-08 v, j, mj = 0 4 2 0 0.5347584E-15 1 0.9588171E-04 2 0.1017215E-03 3 0.1450066E-04 4 0.5883660E-05 5 0.3476161E-06 6 0.1495358E-06 7 0.1370616E-07 8 0.1359293E-08 9 0.5174223E-09 v, j, mj = 0 4 3 0 0.5945177E-15 1 0.1090036E-03 2 0.3415184E-04 3 0.7504798E-05 4 0.2795919E-05 5 0.6388110E-06 6 0.3344412E-06 7 0.9532421E-08 8 0.5632161E-08 9 0.1188480E-08 v, j, mj = 0 4 4 0 0.1120189E-04 1 0.1557681E-05 2 0.6007112E-05 3 0.3326288E-05 4 0.2670670E-06 5 0.3551945E-06 6 0.2482919E-07 7 0.5675097E-08 8 0.1335056E-08 9 0.3860423E-09 v, j, mj = 0 6 -6 0 0.9285668E-15 1 0.1579337E-11 2 0.2438632E-10 3 0.3832381E-10 4 0.1081859E-09 5 0.4291790E-10 6 0.5303324E-10 7 0.1885123E-09 8 0.1417463E-09 9 0.0000000E+00 v, j, mj = 0 6 -5 0 0.2286886E-11 1 0.1472604E-09 2 0.4533247E-09 3 0.3308463E-09 4 0.3186859E-09 5 0.1329092E-09 6 0.2337411E-09 7 0.3391865E-09 8 0.8075717E-09 9 0.0000000E+00 v, j, mj = 0 6 -4 0 0.2401968E-14 1 0.2339786E-08 2 0.1238624E-08 3 0.3657265E-08 4 0.1794488E-08 5 0.2845472E-08 6 0.1553182E-08 7 0.1641792E-08 8 0.4774102E-09 9 0.0000000E+00 v, j, mj = 0 6 -3 0 0.1669131E-14 1 0.7735883E-08 2 0.6341331E-08 3 0.1629100E-07 4 0.9051820E-08 5 0.2432211E-08 6 0.2426927E-08 7 0.2738378E-08 8 0.2453924E-08 9 0.0000000E+00 v, j, mj = 0 6 -2 0 0.1773525E-07 1 0.2809817E-07 2 0.2796676E-07 3 0.9976541E-07 4 0.4891590E-07 5 0.2764586E-07 6 0.1664925E-07 7 0.5255578E-08 8 0.9621206E-09 9 0.0000000E+00 v, j, mj = 0 6 -1 0 0.2484554E-15 1 0.1897933E-07 2 0.9055891E-06 3 0.1908292E-05 4 0.4095076E-06 5 0.3795790E-07 6 0.5011417E-08 7 0.5367460E-08 8 0.2976820E-08 9 0.0000000E+00 v, j, mj = 0 6 0 0 0.6563632E-13 1 0.3521166E-05 2 0.2076014E-04 3 0.1714987E-04 4 0.2544976E-05 5 0.1449868E-06 6 0.5138730E-07 7 0.7601145E-08 8 0.5312000E-08 9 0.0000000E+00 v, j, mj = 0 6 1 0 0.5186679E-07 1 0.1257344E-04 2 0.8213933E-04 3 0.7733890E-04 4 0.7661043E-05 5 0.2435024E-06 6 0.1496015E-07 7 0.4660405E-08 8 0.1862641E-08 9 0.0000000E+00 v, j, mj = 0 6 2 0 0.3050859E-12 1 0.4955435E-03 2 0.8967901E-03 3 0.2395765E-03 4 0.1662723E-04 5 0.5827691E-06 6 0.9182504E-07 7 0.1339531E-07 8 0.3832352E-08 9 0.0000000E+00 v, j, mj = 0 6 3 0 0.8416277E-15 1 0.1584888E-02 2 0.1332527E-02 3 0.2572769E-03 4 0.2605185E-04 5 0.9470719E-06 6 0.5289917E-07 7 0.1120506E-07 8 0.6493489E-08 9 0.0000000E+00 v, j, mj = 0 6 4 0 0.9793127E-03 1 0.4340582E-03 2 0.6185931E-03 3 0.5908784E-03 4 0.1071416E-03 5 0.2764842E-05 6 0.3565442E-07 7 0.9533341E-08 8 0.1301628E-08 9 0.0000000E+00 v, j, mj = 0 6 5 0 0.9414380E-15 1 0.1678333E-03 2 0.2337533E-04 3 0.7719124E-04 4 0.2944244E-04 5 0.4558570E-05 6 0.1202579E-06 7 0.1599830E-07 8 0.3954826E-08 9 0.0000000E+00 v, j, mj = 0 6 6 0 0.3035219E-13 1 0.9912864E-05 2 0.2664048E-04 3 0.4570425E-04 4 0.3444985E-04 5 0.4391900E-05 6 0.1170921E-06 7 0.5518973E-08 8 0.1582242E-08 9 0.0000000E+00 v, j, mj = 0 8 -8 0 0.1157486E-12 1 0.3892926E-13 2 0.2149302E-12 3 0.9689170E-13 4 0.5291729E-12 5 0.2011936E-11 6 0.2505076E-11 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -7 0 0.2738456E-15 1 0.6928149E-14 2 0.9868438E-13 3 0.8958854E-13 4 0.7209014E-12 5 0.4380272E-11 6 0.3287179E-11 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -6 0 0.5320744E-15 1 0.5867434E-12 2 0.8370684E-12 3 0.7338513E-12 4 0.3293742E-11 5 0.1920006E-10 6 0.9415856E-11 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -5 0 0.8249934E-12 1 0.1189446E-11 2 0.1346868E-10 3 0.4741375E-11 4 0.2217078E-10 5 0.6659576E-10 6 0.4395120E-10 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -4 0 0.7413123E-15 1 0.4580985E-10 2 0.2545296E-09 3 0.5940343E-09 4 0.9104096E-09 5 0.5710520E-09 6 0.1277207E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -3 0 0.6927425E-15 1 0.1832592E-09 2 0.4393912E-08 3 0.4392237E-08 4 0.1255705E-08 5 0.1027438E-08 6 0.2032942E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -2 0 0.3264703E-07 1 0.3555632E-07 2 0.1615252E-06 3 0.5314639E-07 4 0.5759925E-07 5 0.7413417E-08 6 0.3157871E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -1 0 0.3716136E-16 1 0.1682022E-06 2 0.4524976E-06 3 0.1038593E-06 4 0.4185170E-07 5 0.5996250E-07 6 0.7435086E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 0 0 0.1432115E-14 1 0.1058221E-04 2 0.2676754E-04 3 0.7980072E-05 4 0.1659711E-05 5 0.6077027E-07 6 0.9052822E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 1 0 0.3767088E-06 1 0.1154325E-03 2 0.3781857E-03 3 0.9089418E-04 4 0.3598530E-05 5 0.3661455E-06 6 0.3787583E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 2 0 0.2347358E-13 1 0.4234234E-02 2 0.5837606E-02 3 0.8101148E-03 4 0.3308239E-04 5 0.1402566E-06 6 0.7673962E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 3 0 0.2104673E-15 1 0.6410614E-01 2 0.3761190E-01 3 0.2893223E-02 4 0.7409089E-04 5 0.5169346E-06 6 0.7631333E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 4 0 0.1861202E+00 1 0.4131375E+00 2 0.9481420E-01 3 0.5188313E-02 4 0.2034376E-03 5 0.1485094E-05 6 0.1792474E-06 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 5 0 0.5980793E-15 1 0.6277327E-01 2 0.7968790E-01 3 0.1022980E-01 4 0.2657999E-03 5 0.1614273E-05 6 0.8965735E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 6 0 0.2462837E-13 1 0.8328682E-03 2 0.1484736E-01 3 0.5819820E-02 4 0.2990495E-03 5 0.1346106E-05 6 0.6569736E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 7 0 0.3302508E-06 1 0.1441523E-04 2 0.7407086E-03 3 0.7832576E-03 4 0.6774059E-04 5 0.7399892E-06 6 0.3660502E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 8 0 0.2514743E-14 1 0.8948176E-07 2 0.1123228E-04 3 0.2599882E-04 4 0.3215701E-05 5 0.1052996E-06 6 0.4675534E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 -10 0 0.5602394E-19 1 0.3350140E-14 2 0.1389196E-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 0.4249335E-19 1 0.3894376E-14 2 0.5938403E-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 0.4049430E-14 1 0.1398988E-14 2 0.1508372E-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 0.6655166E-20 1 0.7764954E-14 2 0.2011386E-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 0.3699800E-18 1 0.5065682E-14 2 0.1161710E-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 0.4101738E-13 1 0.5152671E-12 2 0.1541212E-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 -4 0 0.1653281E-18 1 0.4883071E-11 2 0.3363111E-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 -3 0 0.1601931E-19 1 0.1576814E-09 2 0.5123627E-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 -2 0 0.1692453E-08 1 0.3465808E-09 2 0.2390373E-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 0.1944984E-19 1 0.4968503E-10 2 0.1306092E-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 0 0 0.1745362E-18 1 0.7333910E-09 2 0.2373002E-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 0.3542800E-08 1 0.2477499E-08 2 0.3021140E-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 0.2125828E-18 1 0.3867570E-07 2 0.3884793E-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 0.7240090E-19 1 0.1808967E-06 2 0.3826456E-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 4 0 0.2104832E-06 1 0.1943031E-06 2 0.3874968E-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 5 0 0.2672647E-19 1 0.4371106E-06 2 0.2591138E-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 6 0 0.2531812E-19 1 0.9890974E-07 2 0.1752661E-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 7 0 0.1461717E-07 1 0.7337798E-08 2 0.1171313E-10 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 8 0 0.7603854E-19 1 0.3769355E-08 2 0.2017698E-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 9 0 0.1295629E-19 1 0.1841165E-09 2 0.5982270E-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 0.4476702E-09 1 0.4283003E-09 2 0.4449500E-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 0 0 0 0.1296813E-15 1 0.5897387E-06 2 0.4254576E-06 3 0.9370738E-07 4 0.1546691E-07 5 0.1089946E-07 6 0.1267914E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 2 -2 0 0.2244422E-09 1 0.8411494E-09 2 0.1041912E-09 3 0.4257090E-09 4 0.2509151E-08 5 0.1583526E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 2 -1 0 0.6307168E-16 1 0.1087414E-07 2 0.1705003E-07 3 0.2513509E-08 4 0.1844282E-08 5 0.1162863E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 2 0 0 0.5763630E-15 1 0.1548571E-06 2 0.1025320E-06 3 0.2116839E-07 4 0.2182342E-07 5 0.5098615E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 2 1 0 0.1102147E-07 1 0.1025267E-04 2 0.1119776E-05 3 0.3430873E-06 4 0.4073872E-07 5 0.2755402E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 2 2 0 0.9245422E-15 1 0.2235680E-05 2 0.3284459E-06 3 0.5400472E-07 4 0.3301814E-07 5 0.2736281E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 -4 0 0.1284427E-17 1 0.2909354E-11 2 0.9679022E-12 3 0.5244811E-10 4 0.2417731E-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 0.1755231E-17 1 0.1379442E-10 2 0.4036475E-10 3 0.2609140E-09 4 0.7662173E-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 -2 0 0.8588585E-10 1 0.1628680E-09 2 0.2486044E-09 3 0.8910760E-09 4 0.2176298E-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 0.1203738E-16 1 0.2587620E-09 2 0.1493633E-08 3 0.4679253E-08 4 0.3002158E-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 0.3593111E-16 1 0.1090425E-07 2 0.6667565E-08 3 0.8126420E-08 4 0.7587161E-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 0.1226038E-08 1 0.6415524E-07 2 0.3104944E-07 3 0.1099254E-07 4 0.7476886E-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 0.1344822E-15 1 0.2077346E-05 2 0.2266118E-06 3 0.6004855E-07 4 0.3483064E-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 0.1443919E-17 1 0.1399967E-04 2 0.3370482E-05 3 0.4706436E-07 4 0.4468405E-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 0.4634186E-05 1 0.1595346E-04 2 0.3730506E-05 3 0.1365440E-06 4 0.1940610E-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 = 1.0010821 average vibrational energy (ev) = 0.000031 average rotational energy (ev) = 0.493105 average diffraction energy (ev) = 0.012647 the reaction probability = -0.1082079D-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 0.9960315E+00 0.1719604E-01 0.4902184E+00 1 0.1259349E-02 0.1362815E-01 0.1377543E+00 2 0.0000000E+00 0.0000000E+00 0.0000000E+00 ************************************ diffraction summed probabilities ************************************ v irot j m probability 0 43 0 0 0.7139266E-04 0 31 2 -2 0.2741640E-05 0 37 2 -1 0.4339494E-04 0 44 2 0 0.6260823E-04 0 50 2 1 0.2663041E-03 0 56 2 2 0.5024016E-04 0 21 4 -4 0.2053729E-06 0 26 4 -3 0.2676247E-05 0 32 4 -2 0.2441075E-04 0 38 4 -1 0.7069955E-04 0 45 4 0 0.1147451E-03 0 51 4 1 0.4247354E-03 0 57 4 2 0.8251861E-03 0 62 4 3 0.4076990E-03 0 67 4 4 0.6442960E-04 0 13 6 -6 0.2486450E-08 0 17 6 -5 0.1084868E-07 0 22 6 -4 0.1003942E-06 0 27 6 -3 0.7603232E-06 0 33 6 -2 0.3172718E-05 0 39 6 -1 0.2926684E-04 0 46 6 0 0.2897604E-03 0 52 6 1 0.8779277E-03 0 58 6 2 0.4734666E-02 0 63 6 3 0.6508015E-02 0 68 6 4 0.5623307E-02 0 72 6 5 0.1059531E-02 0 76 6 6 0.2599632E-03 0 7 8 -8 0.1771756E-10 0 10 8 -7 0.3170697E-10 0 14 8 -6 0.1466661E-09 0 18 8 -5 0.3724135E-09 0 23 8 -4 0.6792810E-08 0 28 8 -3 0.2631026E-07 0 34 8 -2 0.6784697E-06 0 40 8 -1 0.5991439E-05 0 47 8 0 0.1661635E-03 0 53 8 1 0.2500203E-02 0 59 8 2 0.2387225E-01 0 64 8 3 0.1680783E+00 0 69 8 4 0.4824612E+00 0 73 8 5 0.2155311E+00 0 77 8 6 0.6698194E-01 0 80 8 7 0.1345475E-01 0 83 8 8 0.1152452E-02 0 3 10 -10 0.1030756E-12 0 5 10 -9 0.1359164E-12 0 8 10 -8 0.1917509E-12 0 11 10 -7 0.8510930E-12 0 15 10 -6 0.3465785E-12 0 19 10 -5 0.1720582E-10 0 24 10 -4 0.3040026E-09 0 29 10 -3 0.1139749E-08 0 35 10 -2 0.4506916E-08 0 41 10 -1 0.3587806E-08 0 48 10 0 0.2657305E-07 0 54 10 1 0.1324967E-06 0 60 10 2 0.3442435E-06 0 65 10 3 0.7887901E-06 0 70 10 4 0.2799112E-05 0 74 10 5 0.2303875E-05 0 78 10 6 0.1340801E-05 0 81 10 7 0.3493157E-06 0 84 10 8 0.3918651E-06 0 86 10 9 0.2930875E-07 0 88 10 10 0.1080315E-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 0.3406010E-05 1 31 2 -2 0.4575117E-07 1 37 2 -1 0.1704491E-06 1 44 2 0 0.1198093E-05 1 50 2 1 0.2731250E-04 1 56 2 2 0.3012107E-04 1 21 4 -4 0.2687469E-09 1 26 4 -3 0.1312166E-08 1 32 4 -2 0.4922785E-08 1 38 4 -1 0.2100149E-07 1 45 4 0 0.8208340E-07 1 51 4 1 0.8503543E-06 1 57 4 2 0.3274393E-04 1 62 4 3 0.3282027E-03 1 67 4 4 0.8350062E-03 1 13 6 -6 0.7785449E-13 1 17 6 -5 0.3076683E-12 1 22 6 -4 0.4746169E-12 1 27 6 -3 0.2158244E-10 1 33 6 -2 0.5732500E-09 1 39 6 -1 0.1946958E-09 1 46 6 0 0.6322959E-08 1 52 6 1 0.1154574E-08 1 58 6 2 0.5382429E-08 1 63 6 3 0.1228005E-07 1 68 6 4 0.1324344E-06 1 72 6 5 0.2203998E-07 1 76 6 6 0.2185718E-08 1 7 8 -8 0.0000000E+00 1 10 8 -7 0.0000000E+00 1 14 8 -6 0.0000000E+00 1 18 8 -5 0.0000000E+00 1 23 8 -4 0.0000000E+00 1 28 8 -3 0.0000000E+00 1 34 8 -2 0.0000000E+00 1 40 8 -1 0.0000000E+00 1 47 8 0 0.0000000E+00 1 53 8 1 0.0000000E+00 1 59 8 2 0.0000000E+00 1 64 8 3 0.0000000E+00 1 69 8 4 0.0000000E+00 1 73 8 5 0.0000000E+00 1 77 8 6 0.0000000E+00 1 80 8 7 0.0000000E+00 1 83 8 8 0.0000000E+00 1 3 10 -10 0.0000000E+00 1 5 10 -9 0.0000000E+00 1 8 10 -8 0.0000000E+00 1 11 10 -7 0.0000000E+00 1 15 10 -6 0.0000000E+00 1 19 10 -5 0.0000000E+00 1 24 10 -4 0.0000000E+00 1 29 10 -3 0.0000000E+00 1 35 10 -2 0.0000000E+00 1 41 10 -1 0.0000000E+00 1 48 10 0 0.0000000E+00 1 54 10 1 0.0000000E+00 1 60 10 2 0.0000000E+00 1 65 10 3 0.0000000E+00 1 70 10 4 0.0000000E+00 1 74 10 5 0.0000000E+00 1 78 10 6 0.0000000E+00 1 81 10 7 0.0000000E+00 1 84 10 8 0.0000000E+00 1 86 10 9 0.0000000E+00 1 88 10 10 0.0000000E+00 1 1 12 -12 0.0000000E+00 1 2 12 -11 0.0000000E+00 1 4 12 -10 0.0000000E+00 1 6 12 -9 0.0000000E+00 1 9 12 -8 0.0000000E+00 1 12 12 -7 0.0000000E+00 1 16 12 -6 0.0000000E+00 1 20 12 -5 0.0000000E+00 1 25 12 -4 0.0000000E+00 1 30 12 -3 0.0000000E+00 1 36 12 -2 0.0000000E+00 1 42 12 -1 0.0000000E+00 1 49 12 0 0.0000000E+00 1 55 12 1 0.0000000E+00 1 61 12 2 0.0000000E+00 1 66 12 3 0.0000000E+00 1 71 12 4 0.0000000E+00 1 75 12 5 0.0000000E+00 1 79 12 6 0.0000000E+00 1 82 12 7 0.0000000E+00 1 85 12 8 0.0000000E+00 1 87 12 9 0.0000000E+00 1 89 12 10 0.0000000E+00 1 90 12 11 0.0000000E+00 1 91 12 12 0.0000000E+00 2 43 0 0 0.0000000E+00 2 31 2 -2 0.0000000E+00 2 37 2 -1 0.0000000E+00 2 44 2 0 0.0000000E+00 2 50 2 1 0.0000000E+00 2 56 2 2 0.0000000E+00 2 21 4 -4 0.0000000E+00 2 26 4 -3 0.0000000E+00 2 32 4 -2 0.0000000E+00 2 38 4 -1 0.0000000E+00 2 45 4 0 0.0000000E+00 2 51 4 1 0.0000000E+00 2 57 4 2 0.0000000E+00 2 62 4 3 0.0000000E+00 2 67 4 4 0.0000000E+00 2 13 6 -6 0.0000000E+00 2 17 6 -5 0.0000000E+00 2 22 6 -4 0.0000000E+00 2 27 6 -3 0.0000000E+00 2 33 6 -2 0.0000000E+00 2 39 6 -1 0.0000000E+00 2 46 6 0 0.0000000E+00 2 52 6 1 0.0000000E+00 2 58 6 2 0.0000000E+00 2 63 6 3 0.0000000E+00 2 68 6 4 0.0000000E+00 2 72 6 5 0.0000000E+00 2 76 6 6 0.0000000E+00 2 7 8 -8 0.0000000E+00 2 10 8 -7 0.0000000E+00 2 14 8 -6 0.0000000E+00 2 18 8 -5 0.0000000E+00 2 23 8 -4 0.0000000E+00 2 28 8 -3 0.0000000E+00 2 34 8 -2 0.0000000E+00 2 40 8 -1 0.0000000E+00 2 47 8 0 0.0000000E+00 2 53 8 1 0.0000000E+00 2 59 8 2 0.0000000E+00 2 64 8 3 0.0000000E+00 2 69 8 4 0.0000000E+00 2 73 8 5 0.0000000E+00 2 77 8 6 0.0000000E+00 2 80 8 7 0.0000000E+00 2 83 8 8 0.0000000E+00 2 3 10 -10 0.0000000E+00 2 5 10 -9 0.0000000E+00 2 8 10 -8 0.0000000E+00 2 11 10 -7 0.0000000E+00 2 15 10 -6 0.0000000E+00 2 19 10 -5 0.0000000E+00 2 24 10 -4 0.0000000E+00 2 29 10 -3 0.0000000E+00 2 35 10 -2 0.0000000E+00 2 41 10 -1 0.0000000E+00 2 48 10 0 0.0000000E+00 2 54 10 1 0.0000000E+00 2 60 10 2 0.0000000E+00 2 65 10 3 0.0000000E+00 2 70 10 4 0.0000000E+00 2 74 10 5 0.0000000E+00 2 78 10 6 0.0000000E+00 2 81 10 7 0.0000000E+00 2 84 10 8 0.0000000E+00 2 86 10 9 0.0000000E+00 2 88 10 10 0.0000000E+00 2 1 12 -12 0.0000000E+00 2 2 12 -11 0.0000000E+00 2 4 12 -10 0.0000000E+00 2 6 12 -9 0.0000000E+00 2 9 12 -8 0.0000000E+00 2 12 12 -7 0.0000000E+00 2 16 12 -6 0.0000000E+00 2 20 12 -5 0.0000000E+00 2 25 12 -4 0.0000000E+00 2 30 12 -3 0.0000000E+00 2 36 12 -2 0.0000000E+00 2 42 12 -1 0.0000000E+00 2 49 12 0 0.0000000E+00 2 55 12 1 0.0000000E+00 2 61 12 2 0.0000000E+00 2 66 12 3 0.0000000E+00 2 71 12 4 0.0000000E+00 2 75 12 5 0.0000000E+00 2 79 12 6 0.0000000E+00 2 82 12 7 0.0000000E+00 2 85 12 8 0.0000000E+00 2 87 12 9 0.0000000E+00 2 89 12 10 0.0000000E+00 2 90 12 11 0.0000000E+00 2 91 12 12 0.0000000E+00 ************************************ probabilities as function of diffraction order ************************************ v, j, mj = 0 0 0 0 0.1654671E-14 1 0.7131023E-06 2 0.2657852E-04 3 0.4025243E-04 4 0.3357277E-05 5 0.4025904E-06 6 0.5378289E-07 7 0.2775111E-07 8 0.4325716E-08 9 0.2876548E-08 v, j, mj = 0 2 -2 0 0.2419331E-07 1 0.4364387E-08 2 0.2220478E-06 3 0.1689059E-05 4 0.6817254E-06 5 0.5977344E-07 6 0.5203852E-07 7 0.4729805E-08 8 0.2630883E-08 9 0.1077339E-08 v, j, mj = 0 2 -1 0 0.6564428E-15 1 0.6291459E-07 2 0.8939496E-05 3 0.2941615E-04 4 0.4715042E-05 5 0.1941640E-06 6 0.4416371E-07 7 0.9197977E-08 8 0.9516617E-08 9 0.4298092E-08 v, j, mj = 0 2 0 0 0.1112152E-14 1 0.5111038E-06 2 0.1847514E-04 3 0.3901050E-04 4 0.4362317E-05 5 0.1751690E-06 6 0.4234746E-07 7 0.2622392E-07 8 0.4099112E-08 9 0.1328073E-08 v, j, mj = 0 2 1 0 0.6175143E-07 1 0.1893438E-04 2 0.1942711E-03 3 0.4969338E-04 4 0.2300316E-05 5 0.6943560E-06 6 0.2755119E-06 7 0.5150788E-07 8 0.1794386E-07 9 0.3857294E-08 v, j, mj = 0 2 2 0 0.6713948E-14 1 0.2184159E-04 2 0.2161550E-04 3 0.5148737E-05 4 0.7344328E-06 5 0.5563233E-06 6 0.1796063E-06 7 0.1546351E-06 8 0.8334012E-08 9 0.1005788E-08 v, j, mj = 0 4 -4 0 0.1866268E-14 1 0.4027711E-08 2 0.1239984E-07 3 0.4926641E-07 4 0.1026704E-06 5 0.2797449E-07 6 0.3316400E-08 7 0.2183955E-08 8 0.1959251E-08 9 0.1574436E-08 v, j, mj = 0 4 -3 0 0.6639552E-14 1 0.7254328E-07 2 0.8588889E-07 3 0.1196095E-05 4 0.1168052E-05 5 0.1344506E-06 6 0.8853927E-08 7 0.5608991E-08 8 0.2595253E-08 9 0.2159091E-08 v, j, mj = 0 4 -2 0 0.2208907E-06 1 0.1466045E-07 2 0.2072344E-05 3 0.1493687E-04 4 0.6884891E-05 5 0.2438345E-06 6 0.2036450E-07 7 0.1238672E-07 8 0.3345298E-08 9 0.1157767E-08 v, j, mj = 0 4 -1 0 0.7038753E-16 1 0.3849992E-06 2 0.1164739E-04 3 0.4493200E-04 4 0.1334688E-04 5 0.2789532E-06 6 0.8442068E-07 7 0.1754399E-07 8 0.5738108E-08 9 0.1633661E-08 v, j, mj = 0 4 0 0 0.5035933E-14 1 0.1295653E-05 2 0.4956603E-04 3 0.5176930E-04 4 0.1161870E-04 5 0.4080945E-06 6 0.6656343E-07 7 0.1755938E-07 8 0.2444682E-08 9 0.7192960E-09 v, j, mj = 0 4 1 0 0.3142691E-07 1 0.2769064E-04 2 0.2869022E-03 3 0.1000415E-03 4 0.9437566E-05 5 0.4136760E-06 6 0.1791284E-06 7 0.3375299E-07 8 0.3420358E-08 9 0.2111319E-08 v, j, mj = 0 4 2 0 0.2287122E-13 1 0.3768782E-03 2 0.4127544E-03 3 0.2966914E-04 4 0.4503440E-05 5 0.8912546E-06 6 0.4575953E-06 7 0.2664684E-07 8 0.4121677E-08 9 0.1333460E-08 v, j, mj = 0 4 3 0 0.3479187E-14 1 0.3079877E-03 2 0.6511475E-04 3 0.2184166E-04 4 0.7571022E-05 5 0.4112256E-05 6 0.9830725E-06 7 0.8323720E-07 8 0.3531589E-08 9 0.1712218E-08 v, j, mj = 0 4 4 0 0.1985961E-04 1 0.3162739E-05 2 0.2605151E-04 3 0.1168250E-04 4 0.1358839E-05 5 0.1628321E-05 6 0.6060974E-06 7 0.7771492E-07 8 0.1809167E-08 9 0.4638459E-09 v, j, mj = 0 6 -6 0 0.8502702E-14 1 0.9552884E-10 2 0.3502860E-09 3 0.5427447E-09 4 0.5416976E-09 5 0.1787681E-09 6 0.7783060E-10 7 0.1220154E-09 8 0.5521847E-09 9 0.2538538E-10 v, j, mj = 0 6 -5 0 0.1596563E-10 1 0.1763902E-08 2 0.4957519E-08 3 0.5919370E-09 4 0.1135041E-08 5 0.5888881E-09 6 0.4488124E-09 7 0.6116661E-09 8 0.6303905E-09 9 0.1045570E-09 v, j, mj = 0 6 -4 0 0.1451790E-13 1 0.2775802E-07 2 0.1504695E-07 3 0.2386218E-07 4 0.1979989E-07 5 0.8537323E-08 6 0.2215498E-08 7 0.1022968E-08 8 0.2071382E-08 9 0.7999057E-10 v, j, mj = 0 6 -3 0 0.7059072E-14 1 0.1400409E-06 2 0.2236767E-07 3 0.3381817E-06 4 0.2381092E-06 5 0.1230883E-07 6 0.2575003E-08 7 0.4938879E-08 8 0.1709161E-08 9 0.9182927E-10 v, j, mj = 0 6 -2 0 0.1560231E-06 1 0.9302698E-07 2 0.1269539E-06 3 0.1833360E-05 4 0.8875836E-06 5 0.5283272E-07 6 0.1719206E-07 7 0.4241172E-08 8 0.1447738E-08 9 0.5633245E-10 v, j, mj = 0 6 -1 0 0.2127951E-14 1 0.9157404E-07 2 0.7748258E-05 3 0.1775190E-04 4 0.3479430E-05 5 0.1712191E-06 6 0.1352288E-07 7 0.7110382E-08 8 0.3646254E-08 9 0.1742582E-09 v, j, mj = 0 6 0 0 0.5628479E-12 1 0.1354875E-04 2 0.1431412E-03 3 0.1218398E-03 4 0.1091816E-04 5 0.2493868E-06 6 0.4708931E-07 7 0.9205239E-08 8 0.6160587E-08 9 0.7189011E-09 v, j, mj = 0 6 1 0 0.4233838E-07 1 0.6112992E-04 2 0.4351857E-03 3 0.3552224E-03 4 0.2578033E-04 5 0.5405127E-06 6 0.1853871E-07 7 0.5186192E-08 8 0.2048883E-08 9 0.7226000E-09 v, j, mj = 0 6 2 0 0.1914662E-11 1 0.1538804E-02 2 0.2640529E-02 3 0.5289819E-03 4 0.2472705E-04 5 0.1526535E-05 6 0.6880859E-07 7 0.1771665E-07 8 0.1097299E-07 9 0.2605397E-09 v, j, mj = 0 6 3 0 0.8495845E-14 1 0.4176223E-02 2 0.1839894E-02 3 0.3825695E-03 4 0.1032173E-03 5 0.5919206E-05 6 0.1542168E-06 7 0.2817995E-07 8 0.8462077E-08 9 0.5952764E-09 v, j, mj = 0 6 4 0 0.2160315E-02 1 0.6910791E-03 2 0.9873218E-03 3 0.1519189E-02 4 0.2586456E-03 5 0.6648682E-05 6 0.8212303E-07 7 0.1813398E-07 8 0.8143348E-08 9 0.1903735E-09 v, j, mj = 0 6 5 0 0.3602956E-14 1 0.6593996E-03 2 0.6115536E-04 3 0.1546869E-03 4 0.1479215E-03 5 0.3449970E-04 6 0.1846871E-05 7 0.1456932E-07 8 0.5922027E-08 9 0.4009220E-09 v, j, mj = 0 6 6 0 0.2443749E-12 1 0.5506988E-04 2 0.1256323E-03 3 0.4715248E-04 4 0.2801620E-04 5 0.3942586E-05 6 0.1397998E-06 7 0.6919661E-08 8 0.2847988E-08 9 0.2062010E-09 v, j, mj = 0 8 -8 0 0.1879667E-12 1 0.5255777E-13 2 0.3272343E-12 3 0.4462352E-12 4 0.1876891E-11 5 0.2664368E-11 6 0.8514835E-11 7 0.3647470E-11 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -7 0 0.3533322E-14 1 0.2481477E-12 2 0.1352472E-11 3 0.5723353E-12 4 0.1322293E-11 5 0.1091352E-10 6 0.1260666E-10 7 0.4688019E-11 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -6 0 0.4239933E-14 1 0.1950343E-11 2 0.3208975E-11 3 0.8256874E-11 4 0.1527669E-10 5 0.5182733E-10 6 0.5733208E-10 7 0.8809561E-11 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -5 0 0.4527515E-11 1 0.2094810E-10 2 0.1919756E-10 3 0.2823919E-10 4 0.2293361E-10 5 0.1777647E-09 6 0.9268263E-10 7 0.6120258E-11 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -4 0 0.5528675E-14 1 0.1596053E-08 2 0.1586983E-08 3 0.1586923E-08 4 0.1053560E-08 5 0.4007645E-09 6 0.5654454E-09 7 0.3076204E-11 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -3 0 0.6350882E-14 1 0.1353756E-08 2 0.7133106E-08 3 0.1225269E-07 4 0.2615625E-08 5 0.2351892E-08 6 0.5832543E-09 7 0.1992939E-10 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -2 0 0.1469065E-06 1 0.5904733E-07 2 0.2070777E-06 3 0.2101331E-06 4 0.4365493E-07 5 0.8023536E-08 6 0.3504061E-08 7 0.1226705E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -1 0 0.5789468E-15 1 0.4805470E-06 2 0.3285518E-05 3 0.1943397E-05 4 0.2241851E-06 5 0.4307159E-07 6 0.1411137E-07 7 0.6092351E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 0 0 0.4926265E-13 1 0.2261141E-04 2 0.9666652E-04 3 0.4343946E-04 4 0.3325005E-05 5 0.1088206E-06 6 0.1106649E-07 7 0.1251087E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 1 0 0.6827374E-06 1 0.4509652E-03 2 0.1645481E-02 3 0.3869407E-03 4 0.1556801E-04 5 0.5106849E-06 6 0.5156912E-07 7 0.2533035E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 2 0 0.5664442E-12 1 0.7210520E-02 2 0.1457962E-01 3 0.1993136E-02 4 0.8797679E-04 5 0.9575005E-06 6 0.3364053E-07 7 0.7821872E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 3 0 0.6732009E-15 1 0.1060099E+00 2 0.5763578E-01 3 0.4187075E-02 4 0.2420824E-03 5 0.3378749E-05 6 0.6470385E-07 7 0.1726345E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 4 0 0.1334433E+00 1 0.2864222E+00 2 0.5432040E-01 3 0.7500435E-02 4 0.7619561E-03 5 0.1257369E-04 6 0.2618408E-06 7 0.2059608E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 5 0 0.7194744E-14 1 0.7317625E-01 2 0.1219947E+00 3 0.1940498E-01 4 0.9408506E-03 5 0.1420779E-04 6 0.1129454E-06 7 0.6191459E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 6 0 0.4387028E-12 1 0.2612321E-02 2 0.3744592E-01 3 0.2457423E-01 4 0.2315370E-02 5 0.3393297E-04 6 0.1625818E-06 7 0.8348929E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 7 0 0.8636433E-07 1 0.1537046E-03 2 0.4436680E-02 3 0.7479425E-02 4 0.1354519E-02 5 0.3005691E-04 6 0.2753034E-06 7 0.5566383E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 8 0 0.7493074E-13 1 0.4879902E-05 2 0.2437389E-03 3 0.7016797E-03 4 0.1958862E-03 5 0.6200729E-05 6 0.6310044E-07 7 0.3741060E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 -10 0 0.2482863E-18 1 0.8365989E-14 2 0.5416851E-13 3 0.4054090E-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 0.6238516E-19 1 0.1396550E-13 2 0.5496189E-13 3 0.6698893E-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 0.2636669E-13 1 0.6452293E-13 2 0.3221962E-13 3 0.6864162E-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 0.4990903E-18 1 0.2255529E-12 2 0.2146138E-12 3 0.4109258E-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 0.1951759E-17 1 0.3607394E-13 2 0.1035254E-12 3 0.2069772E-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 -5 0 0.8278974E-13 1 0.8939909E-12 2 0.3973370E-11 3 0.1225567E-10 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 -4 0 0.6863635E-18 1 0.5665658E-11 2 0.8275924E-10 3 0.2155777E-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 0.2455810E-18 1 0.8323916E-11 2 0.6496728E-09 3 0.4817520E-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 0.1110604E-08 1 0.1079590E-08 2 0.2163326E-08 3 0.1533964E-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 0.6696344E-18 1 0.1673202E-09 2 0.1683244E-08 3 0.1737242E-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 0.1156725E-17 1 0.7914463E-08 2 0.9083936E-08 3 0.9574649E-08 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 1 0 0.5163396E-08 1 0.9843593E-08 2 0.2478672E-07 3 0.9270297E-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 0.7414542E-17 1 0.8903029E-07 2 0.7490140E-07 3 0.1803118E-06 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 3 0 0.2270791E-19 1 0.2868614E-06 2 0.4226804E-06 3 0.7924829E-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 0.8159453E-06 1 0.1039668E-05 2 0.8401048E-06 3 0.1033939E-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 0.7188025E-18 1 0.8520017E-06 2 0.1221574E-05 3 0.2302987E-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 6 0 0.1434896E-16 1 0.6002767E-06 2 0.5457939E-06 3 0.1947308E-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 0.1549564E-07 1 0.9056188E-07 2 0.1005210E-06 3 0.1427372E-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 8 0 0.8759298E-18 1 0.2832748E-06 2 0.9692375E-07 3 0.1166652E-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 9 0 0.7004128E-18 1 0.2261677E-08 2 0.1742546E-07 3 0.9621618E-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 0.2605852E-09 1 0.1003156E-08 2 0.6314894E-08 3 0.3224516E-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 0 0 0 0.2106908E-14 1 0.6550450E-06 2 0.1316486E-05 3 0.1195268E-05 4 0.2262939E-06 5 0.8882275E-08 6 0.3846883E-08 7 0.1882369E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 2 -2 0 0.1834305E-08 1 0.7151943E-08 2 0.2322190E-07 3 0.7827688E-08 4 0.1372371E-08 5 0.2321850E-08 6 0.2021114E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 2 -1 0 0.3283963E-15 1 0.2229424E-07 2 0.8946164E-07 3 0.3210105E-07 4 0.6137467E-08 5 0.8314724E-08 6 0.1213995E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 2 0 0 0.7743386E-14 1 0.4522790E-06 2 0.6232975E-06 3 0.6289130E-07 4 0.3677544E-07 5 0.1955348E-07 6 0.3296456E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 2 1 0 0.1920201E-07 1 0.1504538E-04 2 0.8007804E-05 3 0.3810396E-05 4 0.3740170E-06 5 0.3686391E-07 6 0.1883722E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 2 2 0 0.9547601E-14 1 0.1052239E-04 2 0.1409463E-04 3 0.4811716E-05 4 0.6339169E-06 5 0.4989658E-07 6 0.8519287E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 -4 0 0.1727108E-15 1 0.1209035E-10 2 0.7290980E-11 3 0.4043917E-10 4 0.1405598E-09 5 0.6836643E-10 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 -3 0 0.2504156E-15 1 0.3563667E-09 2 0.2168520E-09 3 0.1927276E-09 4 0.4371772E-09 5 0.1090423E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 -2 0 0.7163764E-10 1 0.1996825E-08 2 0.3545927E-09 3 0.6972351E-09 4 0.1472384E-08 5 0.3301109E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 -1 0 0.2550519E-15 1 0.9824202E-08 2 0.3439663E-08 3 0.4837057E-08 4 0.2765139E-08 5 0.1354313E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 0 0 0.1941503E-14 1 0.7015200E-08 2 0.6310410E-07 3 0.4365242E-08 4 0.7339214E-08 5 0.2596453E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 1 0 0.1372178E-07 1 0.3484099E-06 2 0.2912726E-06 3 0.1833210E-06 4 0.1262917E-07 5 0.9998166E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 2 0 0.1105212E-13 1 0.2487783E-04 2 0.6801123E-05 3 0.9942961E-06 4 0.6891300E-07 5 0.1767994E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 3 0 0.1747564E-15 1 0.1866460E-03 2 0.1345342E-03 3 0.6972718E-05 4 0.4873458E-07 5 0.1073799E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 4 0 0.1678893E-03 1 0.4848868E-03 2 0.1709617E-03 3 0.1112598E-04 4 0.1418620E-06 5 0.5683025E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 6 -6 0 0.3104324E-18 1 0.7296855E-13 2 0.4885634E-14 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 6 -5 0 0.4280763E-13 1 0.2155283E-12 2 0.4933243E-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 -4 0 0.2834181E-18 1 0.4610264E-12 2 0.1359024E-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 -3 0 0.4580278E-19 1 0.1948533E-10 2 0.2097105E-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 -2 0 0.4466309E-09 1 0.1031573E-09 2 0.2346184E-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 0.8525951E-19 1 0.1674925E-09 2 0.2720336E-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 0 0 0.1564559E-18 1 0.6059649E-08 2 0.2633102E-09 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 6 1 0 0.4125101E-09 1 0.7205891E-09 2 0.2147445E-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 0.1263471E-18 1 0.5265340E-08 2 0.1170895E-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 3 0 0.3583793E-19 1 0.1033926E-07 2 0.1940789E-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 0.6803837E-07 1 0.6243918E-07 2 0.1956812E-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 0.2495825E-18 1 0.2074733E-07 2 0.1292648E-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 6 0 0.3906060E-18 1 0.1722926E-08 2 0.4627924E-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 = 0.9972908 average vibrational energy (ev) = 0.000643 average rotational energy (ev) = 0.489773 average diffraction energy (ev) = 0.017192 the reaction probability = 0.2709188D-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 0.9958418E+00 0.2289909E-01 0.4851352E+00 1 0.1992030E-02 0.2001620E-01 0.1353499E+00 2 0.0000000E+00 0.0000000E+00 0.0000000E+00 ************************************ diffraction summed probabilities ************************************ v irot j m probability 0 43 0 0 0.2512946E-03 0 31 2 -2 0.1429159E-04 0 37 2 -1 0.1719024E-03 0 44 2 0 0.2276454E-03 0 50 2 1 0.8014878E-03 0 56 2 2 0.1555107E-03 0 21 4 -4 0.1458343E-05 0 26 4 -3 0.1760078E-04 0 32 4 -2 0.1254231E-03 0 38 4 -1 0.2938380E-03 0 45 4 0 0.3178268E-03 0 51 4 1 0.1020442E-02 0 57 4 2 0.2419731E-02 0 62 4 3 0.7507886E-03 0 67 4 4 0.1912454E-03 0 13 6 -6 0.3063725E-07 0 17 6 -5 0.8877130E-07 0 22 6 -4 0.1010579E-05 0 27 6 -3 0.8304953E-05 0 33 6 -2 0.3149162E-04 0 39 6 -1 0.1779189E-03 0 46 6 0 0.1279910E-02 0 52 6 1 0.2750132E-02 0 58 6 2 0.8843103E-02 0 63 6 3 0.1289071E-01 0 68 6 4 0.7521524E-02 0 72 6 5 0.2454569E-02 0 76 6 6 0.5922557E-03 0 7 8 -8 0.5785459E-10 0 10 8 -7 0.1108782E-09 0 14 8 -6 0.4056777E-09 0 18 8 -5 0.2441735E-08 0 23 8 -4 0.4255544E-07 0 28 8 -3 0.1156358E-06 0 34 8 -2 0.3019931E-05 0 40 8 -1 0.4491770E-04 0 47 8 0 0.6509699E-03 0 53 8 1 0.8093051E-02 0 59 8 2 0.4566710E-01 0 64 8 3 0.1994658E+00 0 69 8 4 0.3093986E+00 0 73 8 5 0.2068963E+00 0 77 8 6 0.1190108E+00 0 80 8 7 0.4939956E-01 0 83 8 8 0.1382207E-01 0 3 10 -10 0.2254684E-11 0 5 10 -9 0.1050378E-11 0 8 10 -8 0.1681800E-11 0 11 10 -7 0.3507216E-11 0 15 10 -6 0.8596909E-11 0 19 10 -5 0.1198570E-09 0 24 10 -4 0.1025266E-08 0 29 10 -3 0.2478157E-08 0 35 10 -2 0.8369719E-08 0 41 10 -1 0.1093351E-07 0 48 10 0 0.9422550E-07 0 54 10 1 0.1412470E-06 0 60 10 2 0.1610400E-05 0 65 10 3 0.4387584E-05 0 70 10 4 0.5417015E-04 0 74 10 5 0.1439739E-04 0 78 10 6 0.2054825E-05 0 81 10 7 0.6101175E-06 0 84 10 8 0.3319767E-06 0 86 10 9 0.1098965E-06 0 88 10 10 0.1207836E-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 0.1449315E-04 1 31 2 -2 0.2594641E-06 1 37 2 -1 0.2815147E-05 1 44 2 0 0.1311426E-04 1 50 2 1 0.7891024E-04 1 56 2 2 0.3807605E-04 1 21 4 -4 0.5549375E-08 1 26 4 -3 0.7905841E-08 1 32 4 -2 0.2189447E-07 1 38 4 -1 0.1660316E-06 1 45 4 0 0.2631459E-05 1 51 4 1 0.1463396E-04 1 57 4 2 0.2914440E-03 1 62 4 3 0.1082948E-02 1 67 4 4 0.4489385E-03 1 13 6 -6 0.3194888E-11 1 17 6 -5 0.1231595E-10 1 22 6 -4 0.2104798E-10 1 27 6 -3 0.2866698E-09 1 33 6 -2 0.1549489E-08 1 39 6 -1 0.3417421E-08 1 46 6 0 0.1021210E-07 1 52 6 1 0.1331551E-07 1 58 6 2 0.2592321E-06 1 63 6 3 0.1447029E-05 1 68 6 4 0.1490168E-05 1 72 6 5 0.2648024E-06 1 76 6 6 0.7438639E-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 0.1421027E-13 1 0.1676039E-05 2 0.7760592E-04 3 0.1360705E-03 4 0.3048483E-04 5 0.4435709E-05 6 0.8385640E-06 7 0.1612048E-06 8 0.1964125E-07 9 0.2154945E-08 v, j, mj = 0 2 -2 0 0.2636080E-06 1 0.6700522E-07 2 0.1480544E-05 3 0.7309606E-05 4 0.4060244E-05 5 0.9192491E-06 6 0.1495684E-06 7 0.3639116E-07 8 0.3933902E-08 9 0.1441924E-08 v, j, mj = 0 2 -1 0 0.7048576E-14 1 0.4168071E-06 2 0.3144090E-04 3 0.1095806E-03 4 0.2739700E-04 5 0.2817361E-05 6 0.1947046E-06 7 0.4228917E-07 8 0.1021468E-07 9 0.2461776E-08 v, j, mj = 0 2 0 0 0.9294085E-14 1 0.9348111E-06 2 0.5503437E-04 3 0.1395608E-03 4 0.3030689E-04 5 0.1482680E-05 6 0.2383805E-06 7 0.7603127E-07 8 0.8846053E-08 9 0.2609027E-08 v, j, mj = 0 2 1 0 0.1170768E-06 1 0.5437547E-04 2 0.5246758E-03 3 0.1851057E-03 4 0.2706279E-04 5 0.7523171E-05 6 0.2164188E-05 7 0.4103100E-06 8 0.5049289E-07 9 0.2825428E-08 v, j, mj = 0 2 2 0 0.1989018E-13 1 0.5311661E-04 2 0.5314689E-04 3 0.3554586E-04 4 0.5586383E-05 5 0.3968146E-05 6 0.2538971E-05 7 0.1405367E-05 8 0.1961548E-06 9 0.6343633E-08 v, j, mj = 0 4 -4 0 0.3187298E-13 1 0.9162135E-07 2 0.5199115E-07 3 0.2071822E-06 4 0.9056809E-06 5 0.1610227E-06 6 0.3093506E-07 7 0.7007436E-08 8 0.1376248E-08 9 0.1525651E-08 v, j, mj = 0 4 -3 0 0.2483653E-13 1 0.2951026E-06 2 0.3810722E-06 3 0.8176137E-05 4 0.8355289E-05 5 0.3557219E-06 6 0.2033280E-07 7 0.1277829E-07 8 0.2284375E-08 9 0.2063660E-08 v, j, mj = 0 4 -2 0 0.7095718E-06 1 0.1842070E-06 2 0.1085028E-04 3 0.8344330E-04 4 0.2983500E-04 5 0.3422108E-06 6 0.4699366E-07 7 0.6444877E-08 8 0.3795298E-08 9 0.1268059E-08 v, j, mj = 0 4 -1 0 0.9388486E-14 1 0.1166241E-05 2 0.5105447E-04 3 0.1967832E-03 4 0.4454278E-04 5 0.1417243E-06 6 0.1243129E-06 7 0.1793207E-07 8 0.5856523E-08 9 0.1487108E-08 v, j, mj = 0 4 0 0 0.1711741E-13 1 0.3389531E-05 2 0.1682845E-03 3 0.1251357E-03 4 0.2039918E-04 5 0.4502249E-06 6 0.1443200E-06 7 0.1997420E-07 8 0.1905810E-08 9 0.1515937E-08 v, j, mj = 0 4 1 0 0.1251762E-06 1 0.7443795E-04 2 0.6873729E-03 3 0.2353658E-03 4 0.2088185E-04 5 0.1890554E-05 6 0.3030650E-06 7 0.5826218E-07 8 0.4557862E-08 9 0.1443365E-08 v, j, mj = 0 4 2 0 0.3948076E-12 1 0.1000719E-02 2 0.1256246E-02 3 0.1265051E-03 4 0.2478942E-04 5 0.8584367E-05 6 0.2679459E-05 7 0.1993809E-06 8 0.6650361E-08 9 0.1609182E-08 v, j, mj = 0 4 3 0 0.1303452E-13 1 0.5069896E-03 2 0.1006902E-03 3 0.8401245E-04 4 0.2613766E-04 5 0.2437713E-04 6 0.7598627E-05 7 0.9592427E-06 8 0.2119258E-07 9 0.2407877E-08 v, j, mj = 0 4 4 0 0.8493944E-04 1 0.1536862E-04 2 0.3949103E-04 3 0.2736120E-04 4 0.2414846E-05 5 0.9955569E-05 6 0.9207184E-05 7 0.2403514E-05 8 0.1029405E-06 9 0.1050994E-08 v, j, mj = 0 6 -6 0 0.4017001E-13 1 0.4734729E-08 2 0.9147853E-08 3 0.7533400E-08 4 0.4740335E-08 5 0.2500193E-08 6 0.8939885E-09 7 0.1433003E-09 8 0.6072517E-09 9 0.3361586E-09 v, j, mj = 0 6 -5 0 0.1435230E-09 1 0.1526763E-07 2 0.4423128E-07 3 0.5202651E-08 4 0.1670698E-07 5 0.4013876E-08 6 0.1169480E-08 7 0.8456957E-09 8 0.5549270E-09 9 0.6352479E-09 v, j, mj = 0 6 -4 0 0.5626090E-13 1 0.1979755E-06 2 0.7505297E-07 3 0.3224047E-06 4 0.3488751E-06 5 0.5871557E-07 6 0.3677162E-08 7 0.1655312E-08 8 0.1889739E-08 9 0.3328001E-09 v, j, mj = 0 6 -3 0 0.1587967E-13 1 0.6063945E-06 2 0.3537693E-06 3 0.4391920E-05 4 0.2820015E-05 5 0.1193345E-06 6 0.6245274E-08 7 0.5160800E-08 8 0.1575908E-08 9 0.5382326E-09 v, j, mj = 0 6 -2 0 0.8243012E-06 1 0.7241859E-06 2 0.1682326E-05 3 0.1953368E-04 4 0.8507205E-05 5 0.1932552E-06 6 0.1820713E-07 7 0.5911526E-08 8 0.2416765E-08 9 0.1373212E-09 v, j, mj = 0 6 -1 0 0.2458133E-13 1 0.1060350E-05 2 0.4910408E-04 3 0.1096821E-03 4 0.1757060E-04 5 0.4626667E-06 6 0.2819999E-07 7 0.6825287E-08 8 0.3343185E-08 9 0.7194268E-09 v, j, mj = 0 6 0 0 0.2794297E-11 1 0.4059482E-04 2 0.6600829E-03 3 0.5501339E-03 4 0.2847706E-04 5 0.5676075E-06 6 0.4301671E-07 7 0.5287342E-08 8 0.4665257E-08 9 0.5489100E-09 v, j, mj = 0 6 1 0 0.5784468E-07 1 0.2282527E-03 2 0.1494803E-02 3 0.9938040E-03 4 0.3270037E-04 5 0.4392841E-06 6 0.6180905E-07 7 0.9269909E-08 8 0.2516548E-08 9 0.1291965E-08 v, j, mj = 0 6 2 0 0.5603944E-11 1 0.2887784E-02 2 0.5288023E-02 3 0.5925291E-03 4 0.6584272E-04 5 0.8586907E-05 6 0.3101762E-06 7 0.1529026E-07 8 0.1030673E-07 9 0.4868634E-09 v, j, mj = 0 6 3 0 0.4054745E-13 1 0.9499294E-02 2 0.1908355E-02 3 0.1051858E-02 4 0.4070179E-03 5 0.2293837E-04 6 0.1158634E-05 7 0.7721957E-07 8 0.5063474E-08 9 0.3424970E-08 v, j, mj = 0 6 4 0 0.2927327E-02 1 0.5592094E-03 2 0.1260188E-02 3 0.2529697E-02 4 0.2323487E-03 5 0.1041951E-04 6 0.2241820E-05 7 0.8032659E-07 8 0.1084982E-07 9 0.9109555E-09 v, j, mj = 0 6 5 0 0.7764955E-14 1 0.1349079E-02 2 0.7104278E-04 3 0.3176513E-03 4 0.5239963E-03 5 0.1770878E-03 6 0.1537852E-04 7 0.3191014E-06 8 0.1158237E-07 9 0.3014490E-08 v, j, mj = 0 6 6 0 0.1196389E-11 1 0.1417250E-03 2 0.3316221E-03 3 0.3412966E-04 4 0.3152185E-04 5 0.4095209E-04 6 0.1191723E-04 7 0.3815030E-06 8 0.3956560E-08 9 0.2314812E-08 v, j, mj = 0 8 -8 0 0.8775348E-11 1 0.2962601E-11 2 0.3337897E-11 3 0.1088341E-10 4 0.4165081E-11 5 0.8289413E-11 6 0.4788646E-11 7 0.1465219E-10 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -7 0 0.5993045E-14 1 0.6178496E-11 2 0.6951709E-11 3 0.7174263E-11 4 0.1513601E-10 5 0.9572648E-11 6 0.3435177E-10 7 0.3150735E-10 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -6 0 0.3018316E-13 1 0.1227086E-10 2 0.2803248E-10 3 0.5641208E-10 4 0.9862253E-10 5 0.6404220E-10 6 0.1007091E-09 7 0.4555821E-10 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -5 0 0.1806663E-10 1 0.1861322E-09 2 0.1096335E-08 3 0.1022413E-09 4 0.4395856E-09 5 0.2815401E-09 6 0.2546166E-09 7 0.6321813E-10 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -4 0 0.1384358E-13 1 0.1868985E-07 2 0.9182479E-08 3 0.7349844E-08 4 0.5540837E-08 5 0.8622441E-09 6 0.8099993E-09 7 0.1201820E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -3 0 0.1896135E-13 1 0.2918633E-07 2 0.1390336E-07 3 0.4510913E-07 4 0.1966891E-07 5 0.6571243E-08 6 0.1023101E-08 7 0.1737062E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -2 0 0.6019888E-06 1 0.1058542E-06 2 0.7591068E-06 3 0.1400534E-05 4 0.1324945E-06 5 0.1423510E-07 6 0.5134594E-08 7 0.5825696E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -1 0 0.5511396E-14 1 0.9624660E-06 2 0.2331706E-04 3 0.1922061E-04 4 0.1338124E-05 5 0.5963773E-07 6 0.1736475E-07 7 0.2440421E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 0 0 0.7485792E-12 1 0.5156705E-04 2 0.3985200E-03 3 0.1921386E-03 4 0.8460873E-05 5 0.2695380E-06 6 0.9947236E-08 7 0.3846225E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 1 0 0.1568847E-05 1 0.1574825E-02 2 0.5543631E-02 3 0.9434580E-03 4 0.2848198E-04 5 0.1037766E-05 6 0.4322522E-07 7 0.4626685E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 2 0 0.6379772E-11 1 0.1517424E-01 2 0.2804421E-01 3 0.2289917E-02 4 0.1538002E-03 5 0.4834236E-05 6 0.9226756E-07 7 0.5665941E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 3 0 0.3413881E-14 1 0.1414377E+00 2 0.5344525E-01 3 0.3839419E-02 4 0.7201097E-03 5 0.2312288E-04 6 0.1493218E-06 7 0.7841409E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 4 0 0.1128911E+00 1 0.1619210E+00 2 0.1747845E-01 3 0.1547880E-01 4 0.1579643E-02 5 0.4887572E-04 6 0.6913347E-06 7 0.1753876E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 5 0 0.4534550E-13 1 0.7014986E-01 2 0.1195353E+00 3 0.1484636E-01 4 0.2249495E-02 5 0.1139397E-03 6 0.1321727E-05 7 0.1000976E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 6 0 0.3231394E-11 1 0.7834941E-02 2 0.6001274E-01 3 0.4413240E-01 4 0.6787838E-02 5 0.2411530E-03 6 0.1667201E-05 7 0.5939008E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 7 0 0.2528138E-07 1 0.4256957E-03 2 0.1206034E-01 3 0.2699453E-01 4 0.9394567E-02 5 0.5200253E-03 6 0.4368961E-05 7 0.1193607E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 8 0 0.7400509E-12 1 0.2691216E-04 2 0.1860538E-02 3 0.7671513E-02 4 0.3965373E-02 5 0.2949700E-03 6 0.2754608E-05 7 0.8677950E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 -10 0 0.9850486E-17 1 0.1290077E-13 2 0.5020590E-12 3 0.6883204E-12 4 0.1051394E-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 -9 0 0.6132390E-17 1 0.6048109E-13 2 0.1373285E-12 3 0.2139475E-12 4 0.6386152E-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 0.9479379E-13 1 0.4929362E-12 2 0.2673116E-12 3 0.2597786E-12 4 0.5669795E-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 -7 0 0.1738605E-16 1 0.7290434E-12 2 0.5584490E-12 3 0.5317754E-12 4 0.1687931E-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 0.2674341E-16 1 0.1216341E-11 2 0.3213479E-11 3 0.1783938E-11 4 0.2383124E-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 0.5074694E-12 1 0.6417877E-10 2 0.4744894E-11 3 0.2347393E-10 4 0.2695198E-10 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 -4 0 0.1940885E-16 1 0.2353926E-09 2 0.3789600E-09 3 0.2544639E-09 4 0.1564494E-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 0.9858244E-17 1 0.4564937E-09 2 0.1311199E-08 3 0.4550401E-09 4 0.2554239E-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 0.8394561E-09 1 0.3872519E-08 2 0.1622081E-08 3 0.1103294E-08 4 0.9323697E-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 0.3480209E-17 1 0.9352919E-09 2 0.2538858E-08 3 0.6077787E-08 4 0.1381577E-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 0.3051064E-16 1 0.1101686E-07 2 0.1387854E-07 3 0.5074590E-07 4 0.1858420E-07 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 1 0 0.2918123E-08 1 0.1675813E-07 2 0.6295014E-07 3 0.4448810E-07 4 0.1413248E-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 0.6090706E-15 1 0.3905049E-06 2 0.7885577E-06 3 0.3507132E-06 4 0.8062372E-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 0.1621370E-17 1 0.2516437E-05 2 0.1593684E-05 3 0.2244330E-06 4 0.5302983E-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 0.2486351E-04 1 0.2358029E-04 2 0.4655986E-05 3 0.1023386E-05 4 0.4698090E-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 0.5601983E-16 1 0.1207176E-04 2 0.1983269E-05 3 0.2830648E-06 4 0.5930025E-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 0.9051809E-15 1 0.1069304E-05 2 0.4604971E-06 3 0.4408954E-06 4 0.8412860E-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 0.2707701E-07 1 0.9268249E-07 2 0.2045172E-06 3 0.2446649E-06 4 0.4117598E-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 0.2892472E-15 1 0.5465977E-08 2 0.2342197E-06 3 0.4615522E-07 4 0.4613576E-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 9 0 0.3582698E-16 1 0.2704356E-07 2 0.2826655E-07 3 0.4077650E-07 4 0.1380992E-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 10 0 0.6388824E-08 1 0.3208158E-08 2 0.5674959E-07 3 0.3524176E-07 4 0.1919523E-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 0 0 0 0.3412173E-14 1 0.4013478E-06 2 0.1002272E-04 3 0.2963619E-05 4 0.9858058E-06 5 0.1113139E-06 6 0.5699028E-08 7 0.2653270E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 2 -2 0 0.1259308E-07 1 0.7493397E-08 2 0.5126903E-07 3 0.1225396E-06 4 0.5626476E-07 5 0.5125196E-08 6 0.3766330E-08 7 0.4127370E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 2 -1 0 0.2324254E-14 1 0.1783231E-07 2 0.1202845E-05 3 0.1421939E-05 4 0.1534007E-06 5 0.1225144E-07 6 0.6600576E-08 7 0.2781305E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 2 0 0 0.4598824E-13 1 0.1968557E-05 2 0.4707504E-05 3 0.5523746E-05 4 0.8723332E-06 5 0.3905438E-07 6 0.2803700E-08 7 0.2619271E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 2 1 0 0.3394425E-07 1 0.1841638E-04 2 0.4823735E-04 3 0.1126211E-04 4 0.8865446E-06 5 0.6206813E-07 6 0.1151204E-07 7 0.3283003E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 2 2 0 0.3118866E-13 1 0.7309161E-05 2 0.1577916E-04 3 0.1013172E-04 4 0.4398484E-05 5 0.4412748E-06 6 0.1565368E-07 7 0.5912084E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 -4 0 0.2409958E-14 1 0.1387774E-08 2 0.2502534E-08 3 0.6369355E-09 4 0.2859676E-09 5 0.7254050E-09 6 0.1075710E-10 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 -3 0 0.1185868E-14 1 0.5258078E-09 2 0.2895658E-08 3 0.2260515E-08 4 0.6355007E-09 5 0.1578613E-08 6 0.9744476E-11 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 -2 0 0.1741462E-08 1 0.9202029E-08 2 0.2814526E-08 3 0.3673376E-08 4 0.1975866E-08 5 0.2483055E-08 6 0.4154491E-11 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 -1 0 0.1781978E-14 1 0.5845661E-07 2 0.3627716E-07 3 0.3982656E-07 4 0.2828928E-07 5 0.3096691E-08 6 0.8529656E-10 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 0 0 0.4898224E-13 1 0.1951518E-06 2 0.1627451E-05 3 0.7321741E-06 4 0.7124649E-07 5 0.5424555E-08 6 0.1052612E-10 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 1 0 0.2587067E-07 1 0.8187465E-06 2 0.8736586E-05 3 0.4802162E-05 4 0.2171311E-06 5 0.3340904E-07 6 0.5303620E-10 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 2 0 0.2014092E-12 1 0.1842619E-03 2 0.8854800E-04 3 0.1784966E-04 4 0.7525678E-06 5 0.3165707E-07 6 0.1364541E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 3 0 0.1970448E-14 1 0.4020131E-03 2 0.6107950E-03 3 0.6946879E-04 4 0.6537867E-06 5 0.1757226E-07 6 0.1987895E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 4 0 0.1994463E-03 1 0.2040347E-03 2 0.1179425E-04 3 0.3166297E-04 4 0.1968413E-05 5 0.3178483E-07 6 0.9539525E-10 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 6 -6 0 0.2130402E-17 1 0.2694063E-12 2 0.9065080E-12 3 0.2018971E-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 0.1436594E-13 1 0.2676662E-11 2 0.3961336E-11 3 0.5663589E-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 -4 0 0.8517919E-18 1 0.1861844E-11 2 0.1206060E-10 3 0.7125529E-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 -3 0 0.1446115E-17 1 0.6666981E-10 2 0.1497981E-09 3 0.7020190E-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 -2 0 0.4641715E-09 1 0.6052497E-09 2 0.4024088E-09 3 0.7765931E-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 -1 0 0.4409381E-17 1 0.6198681E-09 2 0.2067816E-08 3 0.7297371E-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 0 0 0.5783119E-16 1 0.1282975E-08 2 0.8177028E-08 3 0.7520974E-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 0.2933493E-08 1 0.1937766E-08 2 0.5322823E-08 3 0.3121430E-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 0.4379387E-15 1 0.1589931E-06 2 0.8723040E-07 3 0.1300869E-07 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 6 3 0 0.1071320E-17 1 0.1180947E-05 2 0.2592398E-06 3 0.6841957E-08 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 6 4 0 0.3266976E-06 1 0.9083075E-06 2 0.2444823E-06 3 0.1068047E-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 0.1581698E-18 1 0.1986493E-06 2 0.6065627E-07 3 0.5496784E-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 0.9734592E-17 1 0.3137055E-08 2 0.6537947E-07 3 0.5869862E-08 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 sum of the probabilities = 0.9978339 average vibrational energy (ev) = 0.001017 average rotational energy (ev) = 0.484437 average diffraction energy (ev) = 0.022893 the reaction probability = 0.2166143D-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 0.9943493E+00 0.3078536E-01 0.4774098E+00 1 0.5694149E-02 0.3007491E-01 0.1395152E+00 2 0.0000000E+00 0.0000000E+00 0.0000000E+00 ************************************ diffraction summed probabilities ************************************ v irot j m probability 0 43 0 0 0.6536176E-03 0 31 2 -2 0.5536463E-04 0 37 2 -1 0.5575253E-03 0 44 2 0 0.6764784E-03 0 50 2 1 0.1762395E-02 0 56 2 2 0.5021931E-03 0 21 4 -4 0.1089998E-04 0 26 4 -3 0.8071951E-04 0 32 4 -2 0.4720911E-03 0 38 4 -1 0.9002867E-03 0 45 4 0 0.6615022E-03 0 51 4 1 0.2109130E-02 0 57 4 2 0.4642416E-02 0 62 4 3 0.1726153E-02 0 67 4 4 0.3913677E-03 0 13 6 -6 0.7098831E-06 0 17 6 -5 0.1307506E-05 0 22 6 -4 0.9634176E-05 0 27 6 -3 0.6232084E-04 0 33 6 -2 0.1990019E-03 0 39 6 -1 0.7572904E-03 0 46 6 0 0.3934794E-02 0 52 6 1 0.5888007E-02 0 58 6 2 0.1242641E-01 0 63 6 3 0.2241105E-01 0 68 6 4 0.7725579E-02 0 72 6 5 0.4484356E-02 0 76 6 6 0.1404085E-02 0 7 8 -8 0.2718761E-08 0 10 8 -7 0.1303346E-08 0 14 8 -6 0.3102611E-08 0 18 8 -5 0.3343190E-07 0 23 8 -4 0.3042038E-06 0 28 8 -3 0.1046836E-05 0 34 8 -2 0.1856022E-04 0 40 8 -1 0.2570731E-03 0 47 8 0 0.2276933E-02 0 53 8 1 0.1979650E-01 0 59 8 2 0.6981112E-01 0 64 8 3 0.1753199E+00 0 69 8 4 0.2260613E+00 0 73 8 5 0.1395523E+00 0 77 8 6 0.1389875E+00 0 80 8 7 0.8692184E-01 0 83 8 8 0.6021241E-01 0 3 10 -10 0.9426342E-11 0 5 10 -9 0.3445972E-11 0 8 10 -8 0.9902350E-11 0 11 10 -7 0.1230840E-10 0 15 10 -6 0.6646044E-10 0 19 10 -5 0.6797673E-09 0 24 10 -4 0.4461274E-08 0 29 10 -3 0.1125899E-07 0 35 10 -2 0.2008338E-07 0 41 10 -1 0.5225851E-07 0 48 10 0 0.5041211E-06 0 54 10 1 0.2785391E-05 0 60 10 2 0.1522158E-04 0 65 10 3 0.5861929E-04 0 70 10 4 0.3943759E-03 0 74 10 5 0.1318451E-03 0 78 10 6 0.1805040E-04 0 81 10 7 0.2201769E-05 0 84 10 8 0.1173508E-05 0 86 10 9 0.3475048E-06 0 88 10 10 0.5888162E-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 0.4429992E-04 1 31 2 -2 0.7172897E-05 1 37 2 -1 0.1947879E-04 1 44 2 0 0.4280136E-04 1 50 2 1 0.2715710E-03 1 56 2 2 0.1618740E-03 1 21 4 -4 0.3376913E-07 1 26 4 -3 0.7501800E-07 1 32 4 -2 0.2192842E-06 1 38 4 -1 0.2439366E-05 1 45 4 0 0.4319238E-04 1 51 4 1 0.1796992E-03 1 57 4 2 0.1251337E-02 1 62 4 3 0.1848889E-02 1 67 4 4 0.1572513E-02 1 13 6 -6 0.5174723E-10 1 17 6 -5 0.8338971E-10 1 22 6 -4 0.3246064E-09 1 27 6 -3 0.4917831E-09 1 33 6 -2 0.3597675E-08 1 39 6 -1 0.4539338E-08 1 46 6 0 0.1093274E-06 1 52 6 1 0.8552980E-06 1 58 6 2 0.8836835E-05 1 63 6 3 0.5461943E-04 1 68 6 4 0.9369027E-04 1 72 6 5 0.8287783E-04 1 76 6 6 0.7555908E-05 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 0.1785261E-12 1 0.8878460E-06 2 0.1282870E-03 3 0.3100247E-03 4 0.1514476E-03 5 0.4411834E-04 6 0.1426478E-04 7 0.4024157E-05 8 0.5459712E-06 9 0.1717069E-07 v, j, mj = 0 2 -2 0 0.3171475E-06 1 0.5198907E-06 2 0.2920216E-05 3 0.2632104E-04 4 0.1382946E-04 5 0.7867869E-05 6 0.2770025E-05 7 0.7493648E-06 8 0.6761109E-07 9 0.2014606E-08 v, j, mj = 0 2 -1 0 0.5114442E-12 1 0.9734709E-06 2 0.6964005E-04 3 0.3022829E-03 4 0.1533873E-03 5 0.2649482E-04 6 0.3911521E-05 7 0.7465110E-06 8 0.8391449E-07 9 0.4732774E-08 v, j, mj = 0 2 0 0 0.8252002E-12 1 0.2162959E-05 2 0.1000600E-03 3 0.3504165E-03 4 0.1986771E-03 5 0.1984769E-04 6 0.3932837E-05 7 0.1150154E-05 8 0.2215261E-06 9 0.9629902E-08 v, j, mj = 0 2 1 0 0.1344652E-06 1 0.8959836E-04 2 0.8560619E-03 3 0.5499295E-03 4 0.1808390E-03 5 0.5689228E-04 6 0.2247781E-04 7 0.5817895E-05 8 0.6323316E-06 9 0.1099705E-07 v, j, mj = 0 2 2 0 0.3930888E-12 1 0.8221827E-04 2 0.1805938E-03 3 0.1374644E-03 4 0.2930778E-04 5 0.2595166E-04 6 0.2643262E-04 7 0.1611768E-04 8 0.3928740E-05 9 0.1781808E-06 v, j, mj = 0 4 -4 0 0.1903198E-13 1 0.1109452E-05 2 0.4181070E-06 3 0.6490248E-06 4 0.4637520E-05 5 0.2754672E-05 6 0.1065292E-05 7 0.2472573E-06 8 0.1713865E-07 9 0.1512745E-08 v, j, mj = 0 4 -3 0 0.3516037E-13 1 0.1212791E-05 2 0.2190784E-05 3 0.3404542E-04 4 0.3977604E-04 5 0.3144688E-05 6 0.2949065E-06 7 0.4817270E-07 8 0.4926738E-08 9 0.1783471E-08 v, j, mj = 0 4 -2 0 0.2544499E-05 1 0.4509335E-06 2 0.3421420E-04 3 0.2930937E-03 4 0.1333353E-03 5 0.8068593E-05 6 0.3492237E-06 7 0.3048351E-07 8 0.2767661E-08 9 0.1430595E-08 v, j, mj = 0 4 -1 0 0.1582382E-12 1 0.4655923E-05 2 0.1230818E-03 3 0.6103082E-03 4 0.1546149E-03 5 0.7153215E-05 6 0.3344924E-06 7 0.1240348E-06 8 0.1219816E-07 9 0.2006882E-08 v, j, mj = 0 4 0 0 0.4017399E-12 1 0.1022833E-04 2 0.4026449E-03 3 0.2227291E-03 4 0.1919713E-04 5 0.5250150E-05 6 0.1267382E-05 7 0.1644438E-06 8 0.1889181E-07 9 0.1796714E-08 v, j, mj = 0 4 1 0 0.2245785E-06 1 0.1205488E-03 2 0.1167999E-02 3 0.6393140E-03 4 0.1453499E-03 5 0.2838659E-04 6 0.6253017E-05 7 0.9998515E-06 8 0.5249451E-07 9 0.2275590E-08 v, j, mj = 0 4 2 0 0.1881238E-11 1 0.1569232E-02 2 0.2156088E-02 3 0.5833469E-03 4 0.2120341E-03 5 0.8833640E-04 6 0.2829783E-04 7 0.4809148E-05 8 0.2709528E-06 9 0.1841529E-08 v, j, mj = 0 4 3 0 0.1268860E-12 1 0.9487495E-03 2 0.1678559E-03 3 0.3418451E-03 4 0.8688649E-04 5 0.1070703E-03 6 0.6050476E-04 7 0.1275272E-04 8 0.4864887E-06 9 0.1813034E-08 v, j, mj = 0 4 4 0 0.8378272E-04 1 0.1654174E-04 2 0.7891315E-04 3 0.5162855E-04 4 0.1590515E-04 5 0.4273224E-04 6 0.6817136E-04 7 0.3065740E-04 8 0.3004876E-05 9 0.3055433E-07 v, j, mj = 0 6 -6 0 0.6192651E-12 1 0.1645930E-06 2 0.1829392E-06 3 0.9910048E-07 4 0.1097880E-06 5 0.1109856E-06 6 0.3884678E-07 7 0.2939134E-08 8 0.2711755E-09 9 0.4191378E-09 v, j, mj = 0 6 -5 0 0.1767103E-08 1 0.1668079E-06 2 0.4541510E-06 3 0.1718466E-06 4 0.3617768E-06 5 0.1286782E-06 6 0.1984524E-07 7 0.1186374E-08 8 0.9805114E-09 9 0.4659410E-09 v, j, mj = 0 6 -4 0 0.9824258E-13 1 0.1075169E-05 2 0.5994023E-06 3 0.3342148E-05 4 0.4348151E-05 5 0.2566496E-06 6 0.8663833E-08 7 0.2438572E-08 8 0.9280137E-09 9 0.6252535E-09 v, j, mj = 0 6 -3 0 0.2349070E-13 1 0.2266090E-05 2 0.3436527E-05 3 0.3543758E-04 4 0.2049818E-04 5 0.6614999E-06 6 0.1258253E-07 7 0.6141188E-08 8 0.1821204E-08 9 0.4248356E-09 v, j, mj = 0 6 -2 0 0.4648255E-05 1 0.4858785E-05 2 0.1041203E-04 3 0.1285687E-03 4 0.4989320E-04 5 0.5785810E-06 6 0.3153134E-07 7 0.7631877E-08 8 0.2952201E-08 9 0.2047577E-09 v, j, mj = 0 6 -1 0 0.1151107E-12 1 0.7528441E-05 2 0.2073436E-03 3 0.4807481E-03 4 0.6123532E-04 5 0.3622568E-06 6 0.6313489E-07 7 0.7067170E-08 8 0.1914502E-08 9 0.5969328E-09 v, j, mj = 0 6 0 0 0.8231906E-11 1 0.8810946E-04 2 0.2017436E-02 3 0.1796763E-02 4 0.3182279E-04 5 0.5984571E-06 6 0.4977021E-07 7 0.9524745E-08 8 0.3024033E-08 9 0.2018282E-08 v, j, mj = 0 6 1 0 0.4741552E-06 1 0.5728835E-03 2 0.3422466E-02 3 0.1850239E-02 4 0.3731099E-04 5 0.3893330E-05 6 0.7162411E-06 7 0.2144858E-07 8 0.1505214E-08 9 0.1026489E-08 v, j, mj = 0 6 2 0 0.7328670E-11 1 0.3180904E-02 2 0.8286119E-02 3 0.4663441E-03 4 0.4369946E-03 5 0.5153737E-04 6 0.4178455E-05 7 0.3244950E-06 8 0.4663989E-08 9 0.1015705E-08 v, j, mj = 0 6 3 0 0.1475806E-12 1 0.1592165E-01 2 0.2167141E-02 3 0.3149525E-02 4 0.1030325E-02 5 0.1280396E-03 6 0.1361229E-04 7 0.7417940E-06 8 0.1249922E-07 9 0.2451695E-08 v, j, mj = 0 6 4 0 0.3122870E-02 1 0.2474803E-03 2 0.8604000E-03 3 0.2942352E-02 4 0.3494624E-03 5 0.1669350E-03 6 0.3381277E-04 7 0.2234333E-05 8 0.2977172E-07 9 0.2425805E-08 v, j, mj = 0 6 5 0 0.5556947E-13 1 0.2633304E-02 2 0.3734759E-04 3 0.4410231E-03 4 0.7808965E-03 5 0.4954767E-03 6 0.9198108E-04 7 0.4287167E-05 8 0.3609394E-07 9 0.3997604E-08 v, j, mj = 0 6 6 0 0.4209673E-12 1 0.7658511E-04 2 0.4172802E-03 3 0.8385853E-04 4 0.2993511E-03 5 0.3607157E-03 6 0.1530398E-03 7 0.1314108E-04 8 0.1106863E-06 9 0.2617532E-08 v, j, mj = 0 8 -8 0 0.2829347E-09 1 0.2201363E-09 2 0.4845788E-09 3 0.9358355E-09 4 0.6181617E-09 5 0.7633591E-10 6 0.3263478E-10 7 0.4635726E-10 8 0.2178551E-10 9 0.0000000E+00 v, j, mj = 0 8 -7 0 0.3804340E-13 1 0.3116245E-10 2 0.1455049E-09 3 0.3410925E-09 4 0.4552797E-09 5 0.1195430E-09 6 0.4565145E-10 7 0.1038613E-09 8 0.6121275E-10 9 0.0000000E+00 v, j, mj = 0 8 -6 0 0.1345375E-12 1 0.7610758E-09 2 0.8229609E-09 3 0.4499686E-09 4 0.5710523E-09 5 0.1764201E-09 6 0.1678135E-09 7 0.1244609E-09 8 0.2872418E-10 9 0.0000000E+00 v, j, mj = 0 8 -5 0 0.1196101E-09 1 0.6278029E-08 2 0.1760107E-07 3 0.2274595E-08 4 0.5882354E-08 5 0.5483885E-09 6 0.5637265E-09 7 0.1420490E-09 8 0.2207619E-10 9 0.0000000E+00 v, j, mj = 0 8 -4 0 0.7223620E-13 1 0.1149037E-06 2 0.4407379E-07 3 0.7306169E-07 4 0.6491686E-07 5 0.5792067E-08 6 0.1129366E-08 7 0.2950586E-09 8 0.3122029E-10 9 0.0000000E+00 v, j, mj = 0 8 -3 0 0.3473684E-13 1 0.1757063E-06 2 0.5170929E-07 3 0.5541658E-06 4 0.2348358E-06 5 0.2677930E-07 6 0.3130730E-08 7 0.3956714E-09 8 0.1132940E-09 9 0.0000000E+00 v, j, mj = 0 8 -2 0 0.1295803E-05 1 0.7819361E-07 2 0.5020444E-05 3 0.1106872E-04 4 0.1056380E-05 5 0.3174896E-07 6 0.6581159E-08 7 0.2241532E-08 8 0.1071910E-09 9 0.0000000E+00 v, j, mj = 0 8 -1 0 0.3822317E-13 1 0.1487750E-05 2 0.1343336E-03 3 0.1168062E-03 4 0.4326608E-05 5 0.9778657E-07 6 0.1679760E-07 7 0.3431596E-08 8 0.8921357E-09 9 0.0000000E+00 v, j, mj = 0 8 0 0 0.6221731E-11 1 0.1299901E-03 2 0.1565346E-02 3 0.5737646E-03 4 0.6978526E-05 5 0.8061776E-06 6 0.4145757E-07 7 0.5293924E-08 8 0.6995991E-09 9 0.0000000E+00 v, j, mj = 0 8 1 0 0.4062377E-05 1 0.4632600E-02 2 0.1405076E-01 3 0.1069585E-02 4 0.3562901E-04 5 0.3777282E-05 6 0.7731027E-07 7 0.6192113E-08 8 0.5017576E-08 9 0.0000000E+00 v, j, mj = 0 8 2 0 0.4067044E-10 1 0.3162451E-01 2 0.3681113E-01 3 0.9565077E-03 4 0.3979945E-03 5 0.2075933E-04 6 0.2180679E-06 7 0.7338025E-08 8 0.7191273E-09 9 0.0000000E+00 v, j, mj = 0 8 3 0 0.6683689E-13 1 0.1388451E+00 2 0.2550528E-01 3 0.9338036E-02 4 0.1551213E-02 5 0.7901912E-04 6 0.1300441E-05 7 0.1113095E-07 8 0.7213958E-09 9 0.0000000E+00 v, j, mj = 0 8 4 0 0.9383193E-01 1 0.7045724E-01 2 0.3637074E-01 3 0.2302144E-01 4 0.2175284E-02 5 0.2007210E-03 6 0.3874108E-05 7 0.3200684E-07 8 0.1560923E-08 9 0.0000000E+00 v, j, mj = 0 8 5 0 0.1932627E-12 1 0.4618359E-01 2 0.7767334E-01 3 0.8966685E-02 4 0.6202991E-02 5 0.5151306E-03 6 0.1054653E-04 7 0.2110299E-07 8 0.5806912E-08 9 0.0000000E+00 v, j, mj = 0 8 6 0 0.1674369E-10 1 0.1646683E-01 2 0.7642170E-01 3 0.3809679E-01 4 0.7180010E-02 5 0.8049311E-03 6 0.1716454E-04 7 0.3632951E-07 8 0.1618186E-08 9 0.0000000E+00 v, j, mj = 0 8 7 0 0.8138233E-06 1 0.1374157E-02 2 0.2501792E-01 3 0.3919224E-01 4 0.1877262E-01 5 0.2513925E-02 6 0.5001640E-04 7 0.1431961E-06 8 0.2949384E-08 9 0.0000000E+00 v, j, mj = 0 8 8 0 0.4899736E-11 1 0.1170784E-03 2 0.6435182E-02 3 0.2733474E-01 4 0.2262933E-01 5 0.3608381E-02 6 0.8745536E-04 7 0.2398730E-06 8 0.4204532E-08 9 0.0000000E+00 v, j, mj = 0 10 -10 0 0.8983752E-15 1 0.3541170E-12 2 0.1405289E-11 3 0.2194365E-11 4 0.3364178E-11 5 0.2107494E-11 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 -9 0 0.2556855E-15 1 0.1664243E-12 2 0.9681584E-13 3 0.6192409E-12 4 0.1250533E-11 5 0.1312702E-11 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 -8 0 0.1776493E-12 1 0.1370052E-11 2 0.2018308E-11 3 0.1801768E-11 4 0.1479713E-11 5 0.3054861E-11 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 -7 0 0.2907810E-15 1 0.8161943E-12 2 0.1555390E-11 3 0.2267895E-11 4 0.6105510E-11 5 0.1563120E-11 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 -6 0 0.3900247E-15 1 0.7006049E-11 2 0.2469806E-10 3 0.1970920E-10 4 0.1177770E-10 5 0.3269039E-11 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 -5 0 0.6828453E-11 1 0.3974530E-09 2 0.9266571E-10 3 0.8347174E-10 4 0.7869415E-10 5 0.2065429E-10 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 -4 0 0.2931077E-15 1 0.2057507E-08 2 0.9812903E-09 3 0.9943973E-09 4 0.3297478E-09 5 0.9833148E-10 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 -3 0 0.1480534E-15 1 0.3251230E-08 2 0.4748361E-08 3 0.2161491E-08 4 0.9014255E-09 5 0.1964784E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 -2 0 0.4978845E-09 1 0.7972931E-08 2 0.3077764E-08 3 0.5393676E-08 4 0.2548812E-08 5 0.5923135E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 -1 0 0.6839995E-16 1 0.2350167E-08 2 0.1643377E-07 3 0.1466986E-07 4 0.1731812E-07 5 0.1486593E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 0 0 0.7595719E-15 1 0.1055020E-06 2 0.2330341E-06 3 0.1405871E-06 4 0.1976871E-07 5 0.5229123E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 1 0 0.4873994E-08 1 0.4960454E-06 2 0.1958076E-05 3 0.2244251E-06 4 0.9684832E-07 5 0.5122329E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 2 0 0.1304550E-13 1 0.7074188E-05 2 0.7409366E-05 3 0.6513591E-06 4 0.7506971E-07 5 0.1160087E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 3 0 0.1459933E-16 1 0.3820562E-04 2 0.1917406E-04 3 0.1142651E-05 4 0.8087276E-07 5 0.1607937E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 4 0 0.1770006E-03 1 0.1696882E-03 2 0.4541417E-04 3 0.2211261E-05 4 0.4633714E-07 5 0.1535934E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 5 0 0.4059114E-15 1 0.9686400E-04 2 0.3344985E-04 3 0.1423791E-05 4 0.7794016E-07 5 0.2953448E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 6 0 0.2226868E-13 1 0.1210736E-04 2 0.5329696E-05 3 0.5229961E-06 4 0.6521844E-07 5 0.2513787E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 7 0 0.5940044E-07 1 0.3470687E-06 2 0.1372805E-05 3 0.2353038E-06 4 0.1524447E-06 5 0.3474684E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 8 0 0.2271068E-13 1 0.5316864E-06 2 0.4449306E-06 3 0.1196886E-06 4 0.6376256E-07 5 0.1343961E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 9 0 0.2012916E-14 1 0.7927312E-07 2 0.4550020E-07 3 0.1512896E-06 4 0.5810725E-07 5 0.1333456E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 10 0 0.1329147E-07 1 0.6739580E-07 2 0.3003980E-06 3 0.1098072E-06 4 0.5797281E-07 5 0.3995096E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 0 0 0 0.6851503E-13 1 0.9589548E-06 2 0.2843876E-04 3 0.1360731E-04 4 0.8167684E-06 5 0.4340091E-06 6 0.4087650E-07 7 0.2749405E-08 8 0.4915421E-09 9 0.0000000E+00 v, j, mj = 1 2 -2 0 0.3758328E-06 1 0.1384395E-06 2 0.7570393E-06 3 0.4703989E-05 4 0.1103719E-05 5 0.8432994E-07 6 0.5694468E-08 7 0.3852941E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 2 -1 0 0.8335477E-14 1 0.2848942E-06 2 0.9706967E-05 3 0.9272644E-05 4 0.1490987E-06 5 0.5767410E-07 6 0.6914772E-08 7 0.6017664E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 2 0 0 0.1141528E-12 1 0.4086133E-05 2 0.1966369E-04 3 0.1695561E-04 4 0.1812028E-05 5 0.2630450E-06 6 0.1771190E-07 7 0.3137955E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 2 1 0 0.7434773E-07 1 0.2984269E-04 2 0.1963456E-03 3 0.3889418E-04 4 0.6082131E-05 5 0.3172533E-06 6 0.1321252E-07 7 0.1618829E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 2 2 0 0.4733452E-12 1 0.9897911E-04 2 0.3076633E-04 3 0.1561411E-04 4 0.1071635E-04 5 0.5677671E-05 6 0.1126669E-06 7 0.7737260E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 -4 0 0.8167025E-14 1 0.2131558E-07 2 0.6610251E-08 3 0.3977803E-08 4 0.4918431E-09 5 0.5854990E-09 6 0.7881418E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 -3 0 0.3145981E-14 1 0.4387269E-07 2 0.2635791E-08 3 0.2101592E-07 4 0.4178185E-08 5 0.2625534E-08 6 0.6898744E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 -2 0 0.4646587E-07 1 0.4457054E-07 2 0.3333657E-07 3 0.6184797E-07 4 0.2854577E-07 5 0.3932496E-08 6 0.5849349E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 -1 0 0.9153238E-14 1 0.2268756E-06 2 0.9342845E-06 3 0.1097593E-05 4 0.1711631E-06 5 0.8954725E-08 6 0.4948134E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 0 0 0.4155731E-12 1 0.3136187E-05 2 0.2739618E-04 3 0.1182791E-04 4 0.8211007E-06 5 0.9751282E-08 6 0.1254263E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 1 0 0.2169372E-07 1 0.6938322E-05 2 0.1223647E-03 3 0.4765487E-04 4 0.2660735E-05 5 0.4895393E-07 6 0.1000440E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 2 0 0.1560160E-11 1 0.7429095E-03 2 0.4165559E-03 3 0.8783547E-04 4 0.3899798E-05 5 0.1231384E-06 6 0.1326486E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 3 0 0.1103306E-13 1 0.5355081E-03 2 0.1144674E-02 3 0.1633028E-03 4 0.5264987E-05 5 0.1321518E-06 6 0.6973672E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 4 0 0.1989360E-03 1 0.2626744E-03 2 0.2112113E-03 3 0.7467783E-03 4 0.1500329E-03 5 0.2868353E-05 6 0.1129553E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 6 -6 0 0.6136122E-15 1 0.4717545E-11 2 0.5460209E-11 3 0.9377450E-11 4 0.3219141E-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 0.2340244E-11 1 0.4266579E-11 2 0.1759857E-10 3 0.1844567E-10 4 0.4073865E-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 0.2651123E-16 1 0.3932279E-10 2 0.1799489E-09 3 0.8058238E-10 4 0.2475229E-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 0.3985992E-16 1 0.6381716E-10 2 0.8516735E-10 3 0.2325349E-09 4 0.1102637E-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 0.1027212E-08 1 0.7047579E-09 2 0.6159220E-09 3 0.7083557E-09 4 0.5414270E-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 0.6751969E-16 1 0.1056236E-08 2 0.7286390E-09 3 0.2257154E-08 4 0.4973091E-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 0 0 0.2658322E-14 1 0.3889247E-07 2 0.3989524E-07 3 0.2960737E-07 4 0.9322895E-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 0.3489937E-08 1 0.8996364E-07 2 0.6457984E-06 3 0.1081497E-06 4 0.7896322E-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 0.1828890E-13 1 0.4169973E-05 2 0.4448450E-05 3 0.2070795E-06 4 0.1133258E-07 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 6 3 0 0.2760942E-16 1 0.3617906E-04 2 0.1790099E-04 3 0.5313595E-06 4 0.8023980E-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 0.2048651E-04 1 0.6221339E-04 2 0.1059726E-04 3 0.3798392E-06 4 0.1327593E-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 5 0 0.1447686E-15 1 0.4925130E-04 2 0.3184339E-04 3 0.1767133E-05 4 0.1601076E-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 0.7892587E-13 1 0.2107233E-05 2 0.4708132E-05 3 0.7176564E-06 4 0.2288659E-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 = 1.0000434 average vibrational energy (ev) = 0.002901 average rotational energy (ev) = 0.475486 average diffraction energy (ev) = 0.030781 the reaction probability = -0.4343072D-04 $$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$ total energy = -0.38986810D+01 trans energy = 0.49285714D+00 trans energy in z = 0.49285714D+00 total momentum = 0.11536724D+02 $$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$ ************************************ rotation-diffraction summed probabilities ************************************ v probability av edif av erot 0 0.9686968E+00 0.4096829E-01 0.4653576E+00 1 0.2618285E-01 0.2783241E-01 0.2324701E+00 2 0.0000000E+00 0.0000000E+00 0.0000000E+00 ************************************ diffraction summed probabilities ************************************ v irot j m probability 0 43 0 0 0.1472485E-02 0 31 2 -2 0.1947569E-03 0 37 2 -1 0.1385455E-02 0 44 2 0 0.1634786E-02 0 50 2 1 0.3582300E-02 0 56 2 2 0.1117892E-02 0 21 4 -4 0.4120687E-04 0 26 4 -3 0.2357919E-03 0 32 4 -2 0.1223232E-02 0 38 4 -1 0.1929608E-02 0 45 4 0 0.1021759E-02 0 51 4 1 0.3595029E-02 0 57 4 2 0.7858553E-02 0 62 4 3 0.3435180E-02 0 67 4 4 0.1106686E-02 0 13 6 -6 0.7481803E-05 0 17 6 -5 0.1444441E-04 0 22 6 -4 0.6540139E-04 0 27 6 -3 0.3229337E-03 0 33 6 -2 0.8777633E-03 0 39 6 -1 0.2312090E-02 0 46 6 0 0.8823809E-02 0 52 6 1 0.9078665E-02 0 58 6 2 0.1416940E-01 0 63 6 3 0.2863961E-01 0 68 6 4 0.1266435E-01 0 72 6 5 0.5934387E-02 0 76 6 6 0.6598495E-02 0 7 8 -8 0.2039923E-06 0 10 8 -7 0.1421024E-06 0 14 8 -6 0.1654693E-06 0 18 8 -5 0.4615244E-06 0 23 8 -4 0.2353255E-05 0 28 8 -3 0.1053327E-04 0 34 8 -2 0.1034318E-03 0 40 8 -1 0.1071863E-02 0 47 8 0 0.6311527E-02 0 53 8 1 0.3641730E-01 0 59 8 2 0.8150422E-01 0 64 8 3 0.1193637E+00 0 69 8 4 0.1914620E+00 0 73 8 5 0.7972248E-01 0 77 8 6 0.1092475E+00 0 80 8 7 0.1017337E+00 0 83 8 8 0.1196110E+00 0 3 10 -10 0.2562881E-10 0 5 10 -9 0.2838406E-10 0 8 10 -8 0.4049090E-10 0 11 10 -7 0.7122910E-10 0 15 10 -6 0.3112814E-09 0 19 10 -5 0.2641520E-08 0 24 10 -4 0.1273383E-07 0 29 10 -3 0.2535258E-07 0 35 10 -2 0.8524012E-07 0 41 10 -1 0.5115521E-06 0 48 10 0 0.4631297E-05 0 54 10 1 0.2564974E-04 0 60 10 2 0.9520831E-04 0 65 10 3 0.4322975E-03 0 70 10 4 0.1349461E-02 0 74 10 5 0.7501767E-03 0 78 10 6 0.1036996E-03 0 81 10 7 0.1686755E-04 0 84 10 8 0.1759376E-05 0 86 10 9 0.2058080E-05 0 88 10 10 0.8144551E-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 0.1649139E-03 1 31 2 -2 0.7441643E-04 1 37 2 -1 0.1671647E-03 1 44 2 0 0.1090186E-03 1 50 2 1 0.5247383E-03 1 56 2 2 0.5977989E-03 1 21 4 -4 0.7486595E-05 1 26 4 -3 0.2993370E-05 1 32 4 -2 0.9106500E-05 1 38 4 -1 0.4185572E-04 1 45 4 0 0.2912753E-03 1 51 4 1 0.8587081E-03 1 57 4 2 0.3037562E-02 1 62 4 3 0.2465542E-02 1 67 4 4 0.1284701E-02 1 13 6 -6 0.1148317E-07 1 17 6 -5 0.5528015E-08 1 22 6 -4 0.6861288E-08 1 27 6 -3 0.8555364E-08 1 33 6 -2 0.3258789E-07 1 39 6 -1 0.2355654E-06 1 46 6 0 0.3481627E-05 1 52 6 1 0.2342188E-04 1 58 6 2 0.1456852E-03 1 63 6 3 0.2572916E-03 1 68 6 4 0.3076384E-03 1 72 6 5 0.5221002E-02 1 76 6 6 0.1058674E-01 1 7 8 -8 0.2733819E-12 1 10 8 -7 0.4437564E-13 1 14 8 -6 0.4504922E-13 1 18 8 -5 0.6211128E-12 1 23 8 -4 0.1385345E-12 1 28 8 -3 0.1006733E-12 1 34 8 -2 0.3067558E-11 1 40 8 -1 0.8881977E-12 1 47 8 0 0.3345976E-11 1 53 8 1 0.3791843E-10 1 59 8 2 0.2919754E-10 1 64 8 3 0.3070139E-10 1 69 8 4 0.1100210E-08 1 73 8 5 0.2276989E-09 1 77 8 6 0.6102012E-10 1 80 8 7 0.1353205E-09 1 83 8 8 0.5645808E-10 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 0.1695743E-11 1 0.6966755E-05 2 0.1497523E-03 3 0.4914461E-03 4 0.5230178E-03 5 0.1551788E-03 6 0.9146974E-04 7 0.4361841E-04 8 0.1027487E-04 9 0.7606457E-06 v, j, mj = 0 2 -2 0 0.1879741E-06 1 0.1455146E-05 2 0.3871642E-05 3 0.7107822E-04 4 0.5786123E-04 5 0.1405275E-04 6 0.2928263E-04 7 0.1414883E-04 8 0.2695988E-05 9 0.1224670E-06 v, j, mj = 0 2 -1 0 0.6027104E-12 1 0.1593338E-05 2 0.1163859E-03 3 0.5522411E-03 4 0.5151106E-03 5 0.1547768E-03 6 0.3569359E-04 7 0.8350780E-05 8 0.1240540E-05 9 0.6274793E-07 v, j, mj = 0 2 0 0 0.1870871E-10 1 0.2033046E-05 2 0.1092157E-03 3 0.5463578E-03 4 0.6690551E-03 5 0.2272170E-03 6 0.5764361E-04 7 0.1870517E-04 8 0.4258946E-05 9 0.2999691E-06 v, j, mj = 0 2 1 0 0.2284417E-06 1 0.1165627E-03 2 0.1165068E-02 3 0.1039738E-02 4 0.7146067E-03 5 0.3359701E-03 6 0.1488646E-03 7 0.5164716E-04 8 0.9203711E-05 9 0.4104152E-06 v, j, mj = 0 2 2 0 0.4580875E-11 1 0.1815523E-03 2 0.2347740E-03 3 0.2646911E-03 4 0.1256483E-03 5 0.3612928E-04 6 0.1148189E-03 7 0.1141753E-03 8 0.4219102E-04 9 0.3912154E-05 v, j, mj = 0 4 -4 0 0.5572469E-11 1 0.2181474E-05 2 0.2673311E-05 3 0.1950166E-05 4 0.9310940E-05 5 0.1187247E-04 6 0.9899914E-05 7 0.3010976E-05 8 0.3022034E-06 9 0.5408260E-08 v, j, mj = 0 4 -3 0 0.2391883E-11 1 0.1143383E-05 2 0.6306579E-05 3 0.6073767E-04 4 0.1167348E-03 5 0.4298722E-04 6 0.6906364E-05 7 0.8841120E-06 8 0.8645239E-07 9 0.5301530E-08 v, j, mj = 0 4 -2 0 0.7854244E-05 1 0.1325019E-05 2 0.7712582E-04 3 0.5332141E-03 4 0.4866366E-03 5 0.1060808E-03 6 0.9941821E-05 7 0.9875260E-06 8 0.6497186E-07 9 0.1295206E-08 v, j, mj = 0 4 -1 0 0.3051524E-12 1 0.9393958E-05 2 0.9214152E-04 3 0.1134559E-02 4 0.6056886E-03 5 0.8180555E-04 6 0.4609374E-05 7 0.1236234E-05 8 0.1648395E-06 9 0.8694971E-08 v, j, mj = 0 4 0 0 0.3942857E-11 1 0.4120073E-04 2 0.6410041E-03 3 0.2505280E-03 4 0.3815740E-04 5 0.3217789E-04 6 0.1470468E-04 7 0.3481657E-05 8 0.4932455E-06 9 0.1175509E-07 v, j, mj = 0 4 1 0 0.3615053E-06 1 0.1372935E-03 2 0.1210924E-02 3 0.1328870E-02 4 0.6364231E-03 5 0.2094600E-03 6 0.5774191E-04 7 0.1257062E-04 8 0.1359431E-05 9 0.2505976E-07 v, j, mj = 0 4 2 0 0.1011545E-10 1 0.1677229E-02 2 0.3184962E-02 3 0.1349689E-02 4 0.8570647E-03 5 0.4994291E-03 6 0.2271693E-03 7 0.5736377E-04 8 0.5552302E-05 9 0.9467197E-07 v, j, mj = 0 4 3 0 0.1130267E-10 1 0.1472829E-02 2 0.2568999E-03 3 0.6851535E-03 4 0.3467514E-03 5 0.2958844E-03 6 0.2650048E-03 7 0.1024439E-03 8 0.1010217E-04 9 0.1104677E-06 v, j, mj = 0 4 4 0 0.9615880E-04 1 0.5945433E-06 2 0.9143005E-04 3 0.1209115E-03 4 0.1369528E-03 5 0.1266794E-03 6 0.2853197E-03 7 0.2078946E-03 8 0.3969351E-04 9 0.1051220E-05 v, j, mj = 0 6 -6 0 0.2613184E-11 1 0.5221094E-06 2 0.4181747E-06 3 0.2461544E-06 4 0.1689269E-05 5 0.2747471E-05 6 0.1569639E-05 7 0.2805802E-06 8 0.7619452E-08 9 0.7833800E-09 v, j, mj = 0 6 -5 0 0.5805854E-09 1 0.7233772E-07 2 0.2578102E-05 3 0.2482519E-05 4 0.5867463E-05 5 0.2600723E-05 6 0.7781758E-06 7 0.6236664E-07 8 0.1125602E-08 9 0.1014808E-08 v, j, mj = 0 6 -4 0 0.2840466E-12 1 0.5070377E-05 2 0.2563692E-05 3 0.2192723E-04 4 0.3238860E-04 5 0.3211090E-05 6 0.2229429E-06 7 0.1553030E-07 8 0.1000141E-08 9 0.9276041E-09 v, j, mj = 0 6 -3 0 0.1723217E-12 1 0.3404485E-05 2 0.1576369E-04 3 0.1658447E-03 4 0.1306019E-03 5 0.7074863E-05 6 0.2242686E-06 7 0.1686735E-07 8 0.1962427E-08 9 0.9928291E-09 v, j, mj = 0 6 -2 0 0.1986348E-04 1 0.1975547E-04 2 0.3243194E-04 3 0.5413337E-03 4 0.2564330E-03 5 0.7765993E-05 6 0.1430849E-06 7 0.3333392E-07 8 0.2835514E-08 9 0.4322632E-09 v, j, mj = 0 6 -1 0 0.2089751E-12 1 0.2643751E-04 2 0.4818914E-03 3 0.1577338E-02 4 0.2236584E-03 5 0.2393924E-05 6 0.3273574E-06 7 0.4069296E-07 8 0.2310771E-08 9 0.5389052E-09 v, j, mj = 0 6 0 0 0.1797865E-10 1 0.1612722E-03 2 0.3992687E-02 3 0.4573881E-02 4 0.8924118E-04 5 0.5927575E-05 6 0.6888444E-06 7 0.1011290E-06 8 0.6114543E-08 9 0.2872581E-08 v, j, mj = 0 6 1 0 0.1155359E-05 1 0.7184680E-03 2 0.5491592E-02 3 0.2562958E-02 4 0.2721161E-03 5 0.2629703E-04 6 0.5628401E-05 7 0.4341540E-06 8 0.1444821E-07 9 0.1388973E-08 v, j, mj = 0 6 2 0 0.5752718E-11 1 0.2076857E-02 2 0.9487699E-02 3 0.6874702E-03 4 0.1573798E-02 5 0.2974873E-03 6 0.4227533E-04 7 0.3696613E-05 8 0.1088378E-06 9 0.5083292E-08 v, j, mj = 0 6 3 0 0.1243187E-11 1 0.1666155E-01 2 0.2723747E-02 3 0.6161119E-02 4 0.2183204E-02 5 0.7679334E-03 6 0.1314223E-03 7 0.1031101E-04 8 0.3135969E-06 9 0.9326949E-08 v, j, mj = 0 6 4 0 0.4800886E-02 1 0.7609382E-03 2 0.1734192E-02 3 0.2699608E-02 4 0.1404229E-02 5 0.9836178E-03 6 0.2558135E-03 7 0.2432905E-04 8 0.7280615E-06 9 0.8630295E-08 v, j, mj = 0 6 5 0 0.6772746E-13 1 0.2313766E-02 2 0.2930764E-03 3 0.1204962E-02 4 0.9043715E-03 5 0.8149152E-03 6 0.3601464E-03 7 0.4221432E-04 8 0.9224079E-06 9 0.1253647E-07 v, j, mj = 0 6 6 0 0.7704977E-11 1 0.9218821E-03 2 0.1389600E-02 3 0.1185105E-02 4 0.1077550E-02 5 0.1185981E-02 6 0.7094912E-03 7 0.1255466E-03 8 0.3322133E-05 9 0.1653055E-07 v, j, mj = 0 8 -8 0 0.2860748E-08 1 0.4499028E-08 2 0.1094322E-07 3 0.3298316E-07 4 0.8323505E-07 5 0.6315358E-07 6 0.6178092E-08 7 0.8637477E-10 8 0.5304906E-10 9 0.0000000E+00 v, j, mj = 0 8 -7 0 0.3775568E-13 1 0.2248278E-08 2 0.3000017E-08 3 0.3718550E-07 4 0.6629465E-07 5 0.3113207E-07 6 0.2047806E-08 7 0.1208772E-09 8 0.7320107E-10 9 0.0000000E+00 v, j, mj = 0 8 -6 0 0.2986086E-12 1 0.1012481E-07 2 0.7421442E-07 3 0.3121741E-07 4 0.3815536E-07 5 0.1022037E-07 6 0.1155494E-08 7 0.3062028E-09 8 0.7495573E-10 9 0.0000000E+00 v, j, mj = 0 8 -5 0 0.1327575E-08 1 0.9927204E-07 2 0.1905238E-06 3 0.8265745E-07 4 0.7910431E-07 5 0.6593380E-08 6 0.1733521E-08 7 0.2405962E-09 8 0.7167360E-10 9 0.0000000E+00 v, j, mj = 0 8 -4 0 0.8384320E-13 1 0.3021723E-06 2 0.3871419E-06 3 0.9935510E-06 4 0.6425023E-06 5 0.2522077E-07 6 0.2065012E-08 7 0.4703837E-09 8 0.1311013E-09 9 0.0000000E+00 v, j, mj = 0 8 -3 0 0.3648486E-13 1 0.6507734E-06 2 0.7969938E-06 3 0.6720922E-05 4 0.2276854E-05 5 0.8111085E-07 6 0.5633785E-08 7 0.8179631E-09 8 0.1671032E-09 9 0.0000000E+00 v, j, mj = 0 8 -2 0 0.1118343E-05 1 0.4408541E-07 2 0.2766981E-04 3 0.6926163E-04 4 0.5271427E-05 5 0.4916158E-07 6 0.1518395E-07 7 0.1721785E-08 8 0.4018320E-09 9 0.0000000E+00 v, j, mj = 0 8 -1 0 0.2948137E-12 1 0.4598043E-05 2 0.5808384E-03 3 0.4804166E-03 4 0.5799539E-05 5 0.1857649E-06 6 0.1794227E-07 7 0.6307727E-08 8 0.7079555E-09 9 0.0000000E+00 v, j, mj = 0 8 0 0 0.3169086E-10 1 0.3280718E-03 2 0.4894725E-02 3 0.1078290E-02 4 0.7713863E-05 5 0.2642777E-05 6 0.7575196E-07 7 0.4828688E-08 8 0.1732339E-08 9 0.0000000E+00 v, j, mj = 0 8 1 0 0.1058953E-04 1 0.1059934E-01 2 0.2539418E-01 3 0.1877384E-03 4 0.2141467E-03 5 0.1104582E-04 6 0.2440715E-06 7 0.1559142E-07 8 0.3243455E-08 9 0.0000000E+00 v, j, mj = 0 8 2 0 0.1430178E-09 1 0.4955867E-01 2 0.2747068E-01 3 0.3465061E-02 4 0.9413093E-03 5 0.6614727E-04 6 0.2333446E-05 7 0.2861250E-07 8 0.3579017E-08 9 0.0000000E+00 v, j, mj = 0 8 3 0 0.3271600E-12 1 0.8631494E-01 2 0.7541977E-02 3 0.2318395E-01 4 0.2053685E-02 5 0.2589737E-03 6 0.1004062E-04 7 0.1707305E-06 8 0.4998877E-08 9 0.0000000E+00 v, j, mj = 0 8 4 0 0.6605745E-01 1 0.2518668E-01 2 0.7865153E-01 3 0.1533194E-01 4 0.5383845E-02 5 0.8177472E-03 6 0.3239262E-04 7 0.3654984E-06 8 0.4096380E-08 9 0.0000000E+00 v, j, mj = 0 8 5 0 0.3034630E-12 1 0.1713591E-01 2 0.2581739E-01 3 0.2376824E-01 4 0.1139787E-01 5 0.1534441E-02 6 0.6781154E-04 7 0.8122232E-06 8 0.6506471E-08 9 0.0000000E+00 v, j, mj = 0 8 6 0 0.5176824E-10 1 0.2200527E-01 2 0.6134159E-01 3 0.1778828E-01 4 0.5716574E-02 5 0.2273768E-02 6 0.1206969E-03 7 0.1361635E-05 8 0.6557099E-08 9 0.0000000E+00 v, j, mj = 0 8 7 0 0.7359727E-05 1 0.4224885E-02 2 0.4009074E-01 3 0.4082258E-01 4 0.1261930E-01 5 0.3723671E-02 6 0.2429195E-03 7 0.2217003E-05 8 0.9601998E-08 9 0.0000000E+00 v, j, mj = 0 8 8 0 0.4783654E-10 1 0.4661152E-03 2 0.1704851E-01 3 0.4760368E-01 4 0.4127621E-01 5 0.1248598E-01 6 0.7245609E-03 7 0.5942664E-05 8 0.1961014E-07 9 0.0000000E+00 v, j, mj = 0 10 -10 0 0.3411283E-14 1 0.1076579E-11 2 0.7587467E-11 3 0.3775472E-11 4 0.5843633E-11 5 0.4146675E-11 6 0.3195572E-11 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 -9 0 0.3477687E-14 1 0.7093275E-12 2 0.5575279E-11 3 0.7305662E-11 4 0.4317311E-11 5 0.5995350E-11 6 0.4477657E-11 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 -8 0 0.1779140E-11 1 0.4879760E-11 2 0.6740112E-11 3 0.1626093E-10 4 0.3712932E-11 5 0.4633148E-11 6 0.2484876E-11 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 -7 0 0.4324197E-14 1 0.6310517E-11 2 0.1579513E-10 3 0.1834627E-10 4 0.1595264E-10 5 0.1125406E-10 6 0.3566160E-11 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 -6 0 0.2955960E-14 1 0.1329370E-10 2 0.8903489E-10 3 0.1175173E-09 4 0.6646898E-10 5 0.1321986E-10 6 0.1174365E-10 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 -5 0 0.2989226E-10 1 0.1093331E-08 2 0.8166640E-09 3 0.4127710E-09 4 0.2305934E-09 5 0.5142475E-10 6 0.6843930E-11 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 -4 0 0.1175491E-14 1 0.7672124E-08 2 0.2867238E-08 3 0.1375132E-08 4 0.5697061E-09 5 0.2148340E-09 6 0.3479295E-10 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 -3 0 0.5528997E-15 1 0.8976300E-08 2 0.9316479E-08 3 0.5532597E-08 4 0.5790540E-09 5 0.7550697E-09 6 0.1930747E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 -2 0 0.1468355E-07 1 0.7422613E-08 2 0.3497843E-07 3 0.2519176E-07 4 0.1676934E-08 5 0.1034829E-08 6 0.2520058E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 -1 0 0.5576375E-15 1 0.1276090E-07 2 0.3159230E-06 3 0.1623591E-06 4 0.1340466E-07 5 0.6669967E-08 6 0.4344982E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 0 0 0.1007009E-13 1 0.2088750E-06 2 0.3347349E-05 3 0.9692489E-06 4 0.9127973E-07 5 0.1258636E-07 6 0.1958359E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 1 0 0.5817951E-10 1 0.5373640E-05 2 0.1840425E-04 3 0.1738232E-05 4 0.1086064E-06 5 0.2400232E-07 6 0.9447202E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 2 0 0.8522140E-13 1 0.4456823E-04 2 0.4601958E-04 3 0.4377556E-05 4 0.2309461E-06 5 0.1078760E-07 6 0.1208613E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 3 0 0.1176661E-14 1 0.2875934E-03 2 0.1335174E-03 3 0.1101117E-04 4 0.1454010E-06 5 0.2635524E-07 6 0.3742795E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 4 0 0.6999705E-03 1 0.4666575E-03 2 0.1768520E-03 3 0.5861101E-05 4 0.7120139E-07 5 0.4512310E-07 6 0.3195295E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 5 0 0.2569912E-14 1 0.5976374E-03 2 0.1446787E-03 3 0.7694687E-05 4 0.1168403E-06 5 0.4197748E-07 6 0.7110065E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 6 0 0.1805326E-12 1 0.7778891E-04 2 0.2152877E-04 3 0.3916861E-05 4 0.4063929E-06 5 0.5488777E-07 6 0.3784378E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 7 0 0.1654284E-06 1 0.4043681E-05 2 0.1092279E-04 3 0.1585534E-05 4 0.7029351E-07 5 0.6626643E-07 6 0.1355819E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 8 0 0.1159256E-12 1 0.2613938E-06 2 0.1057525E-05 3 0.3301340E-06 4 0.7407593E-07 5 0.2822356E-07 6 0.8023419E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 9 0 0.2391013E-14 1 0.5403859E-06 2 0.6355780E-06 3 0.6458243E-06 4 0.1868710E-06 5 0.3883962E-07 6 0.1058088E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 10 0 0.4354559E-06 1 0.4592416E-06 2 0.4354494E-05 3 0.2662996E-05 4 0.1577902E-06 5 0.6774294E-07 6 0.6830044E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 0 0 0 0.3492028E-11 1 0.1750455E-05 2 0.8225039E-04 3 0.4692669E-04 4 0.2220914E-04 5 0.1085961E-04 6 0.9045086E-06 7 0.1233754E-07 8 0.7476322E-09 9 0.0000000E+00 v, j, mj = 1 2 -2 0 0.7870523E-06 1 0.1607299E-05 2 0.6619638E-05 3 0.3478241E-04 4 0.1602644E-04 5 0.1373725E-04 6 0.8526369E-06 7 0.3354915E-08 8 0.3544905E-09 9 0.0000000E+00 v, j, mj = 1 2 -1 0 0.1447495E-12 1 0.4477191E-05 2 0.9678970E-04 3 0.6161761E-04 4 0.3316084E-05 5 0.9052258E-06 6 0.5662478E-07 7 0.1920447E-08 8 0.3334939E-09 9 0.0000000E+00 v, j, mj = 1 2 0 0 0.8694396E-11 1 0.2836839E-05 2 0.7236791E-04 3 0.2440405E-04 4 0.3971545E-05 5 0.4949286E-05 6 0.4818175E-06 7 0.5592024E-08 8 0.1503671E-08 9 0.0000000E+00 v, j, mj = 1 2 1 0 0.5239047E-06 1 0.1338940E-03 2 0.2939171E-03 3 0.7105668E-04 4 0.1903794E-04 5 0.6214920E-05 6 0.9205337E-07 7 0.1477094E-08 8 0.2643380E-09 9 0.0000000E+00 v, j, mj = 1 2 2 0 0.3566406E-11 1 0.3739199E-03 2 0.1116393E-03 3 0.3353768E-04 4 0.3021139E-04 5 0.4424119E-04 6 0.4218335E-05 7 0.3055263E-07 8 0.5579159E-09 9 0.0000000E+00 v, j, mj = 1 4 -4 0 0.1927744E-12 1 0.1266495E-06 2 0.2378873E-06 3 0.1701579E-05 4 0.4867991E-05 5 0.5470671E-06 6 0.4984420E-08 7 0.4373023E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 -3 0 0.6737233E-13 1 0.5884520E-06 2 0.1992354E-06 3 0.1140199E-05 4 0.1028337E-05 5 0.3545134E-07 6 0.1351941E-08 7 0.3432686E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 -2 0 0.8174932E-06 1 0.3859947E-06 2 0.2165284E-05 3 0.4769565E-05 4 0.6625820E-06 5 0.2971247E-06 6 0.8217124E-08 7 0.2398962E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 -1 0 0.1980479E-12 1 0.1171134E-05 2 0.2058505E-04 3 0.1929930E-04 4 0.7428709E-06 5 0.5369375E-07 6 0.3095080E-08 7 0.5818151E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 0 0 0.3437759E-11 1 0.2169183E-04 2 0.2171594E-03 3 0.5010912E-04 4 0.2124985E-05 5 0.1848095E-06 6 0.4432727E-08 7 0.7056798E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 1 0 0.1554772E-06 1 0.7511638E-04 2 0.6540297E-03 3 0.1196580E-03 4 0.9132782E-05 5 0.5905631E-06 6 0.2091494E-07 7 0.4203033E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 2 0 0.3293523E-11 1 0.1599195E-02 2 0.1028460E-02 3 0.3796085E-03 4 0.2770268E-04 5 0.2552671E-05 6 0.4164562E-07 7 0.1301629E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 3 0 0.1221912E-12 1 0.2579935E-03 2 0.1833155E-02 3 0.3538928E-03 4 0.1968846E-04 5 0.7944812E-06 6 0.1497803E-07 7 0.3177716E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 4 0 0.2693507E-03 1 0.1854145E-03 2 0.2115865E-03 3 0.3013382E-03 4 0.2894299E-03 5 0.2727204E-04 6 0.3072314E-06 7 0.1768658E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 6 -6 0 0.3337616E-13 1 0.1968279E-08 2 0.7528898E-08 3 0.1767219E-08 4 0.1580017E-09 5 0.6074175E-10 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 6 -5 0 0.2743576E-10 1 0.1041190E-09 2 0.1494476E-08 3 0.3447396E-08 4 0.3714375E-09 5 0.8315152E-10 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 6 -4 0 0.1395427E-14 1 0.2578502E-08 2 0.3450260E-09 3 0.2793614E-08 4 0.1046028E-08 5 0.9811765E-10 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 6 -3 0 0.2982802E-14 1 0.3093540E-08 2 0.2067544E-08 3 0.2514946E-08 4 0.7257180E-09 5 0.1536131E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 6 -2 0 0.9321248E-08 1 0.2832861E-08 2 0.6500555E-08 3 0.1148017E-07 4 0.1700348E-08 5 0.7527142E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 6 -1 0 0.2021711E-14 1 0.6228125E-08 2 0.1235500E-06 3 0.9693181E-07 4 0.7878446E-08 5 0.9770720E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 6 0 0 0.3989555E-13 1 0.3288222E-06 2 0.2332800E-05 3 0.7973344E-06 4 0.2133426E-07 5 0.1336179E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 6 1 0 0.1107669E-07 1 0.3083675E-05 2 0.1707810E-04 3 0.3191098E-05 4 0.5059299E-07 5 0.7341030E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 6 2 0 0.2934045E-12 1 0.6578050E-04 2 0.7308555E-04 3 0.6738452E-05 4 0.6249830E-07 5 0.1818971E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 6 3 0 0.1090566E-15 1 0.1683396E-03 2 0.8722683E-04 3 0.1685551E-05 4 0.2932759E-07 5 0.1022726E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 6 4 0 0.3254305E-04 1 0.7272537E-04 2 0.1677863E-03 3 0.3420119E-04 4 0.3595267E-06 5 0.2294419E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 6 5 0 0.3886090E-14 1 0.2938959E-02 2 0.2140543E-02 3 0.1403488E-03 4 0.1137611E-05 5 0.1338993E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 6 6 0 0.9562262E-12 1 0.2096565E-02 2 0.6827509E-02 3 0.1623810E-02 4 0.3873579E-04 5 0.1239850E-06 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 8 -8 0 0.2356490E-12 1 0.3773291E-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 0.1098950E-16 1 0.4436465E-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 0.1382951E-15 1 0.4491092E-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 0.4032555E-12 1 0.2178573E-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 0.4316176E-17 1 0.1385302E-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 0.3366443E-18 1 0.1006730E-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 0.2134989E-11 1 0.9325688E-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 -1 0 0.8113800E-19 1 0.8881976E-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 0 0 0.1132473E-17 1 0.3345975E-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 0.8953846E-11 1 0.2896459E-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 0.7252029E-19 1 0.2919754E-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 0.9126224E-18 1 0.3070139E-10 2 0.0000000E+00 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 8 4 0 0.9003410E-09 1 0.1998695E-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 5 0 0.3025419E-17 1 0.2276989E-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 6 0 0.1716944E-16 1 0.6102011E-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 0.9850288E-10 1 0.3681763E-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 0.2374523E-16 1 0.5645805E-10 2 0.0000000E+00 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 sum of the probabilities = 0.9948796 average vibrational energy (ev) = 0.013407 average rotational energy (ev) = 0.459229 average diffraction energy (ev) = 0.040623 the reaction probability = 0.5120366D-02 etrans(icomin)= 0.151114 etrans(icomax)= 0.548327 etrans= 0.550000 CPU TIMES Total computation 203482.3696 (a) ... Propagating the wavefunction 200169.9011 (b) Setup time 2807.0809 Saving the wave function for rerun 153.4046 Calculating averages 8.8526 Calculating and saving BK-coeffs 40.5078 Asymptotic analysis 20.2511 Saving the flux coefficients 0.0000 Flux analysis 0.0000 ----------------------------------------------------- Sum 203199.9981 (a) ... FFTs along X and Y 8841.5639 Kinetic energy operation along Z 40781.8793 Kinetic energy operation along r 31939.6029 Potential energy multiplication 26547.2080 Legengre transforms 75913.5476 Shifting the wavefunction 6866.7033 Kinetic energy multiplications (xy) 1113.3197 Absorbing the wavefunction 1467.1277 Projection formalism 45.0873 Operations on specular grid 0.1776 ----------------------------------------------------- Sum 193516.2174 (b) ... Potential initialisation time 0.0001 Potential setup time 2702.8552 FFTs along X 5071.8395 FFTs along Y 3769.7244 Time spent on FGH for asympwf 0.9072 Ending date and time: Wed Aug 14 05:34:15 CEST 2019