Starting date and time: Fri Sep 20 00:36:21 CEST 2019 Calculation run on nodes/processors: *** SPO-DVR program version 5.16 (Compiled using IFORT for X86 on Sep 16 2019 at 14:24:46) run on 20190920 at 003621.362 *** * 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: v1j0mj0-0.15eV-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.: 36 * Maximum Mj value in grid representation.: 28 * 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): 0.24000000E+05 * Time step used in the propagation (aut): 0.20000000E+01 * Number of time steps taken: 12000 * 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: 0 * Initial rotational quantum number Mj: 0 * Initial rotational quantum number V: 1 * 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: 0 * Mj in: 0 * Maximum J value in grid rep.: 36 * 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 = 37 ... * Setting up the angular grid module with JMax = 36 ... * The nearest size allowed by FFT routines ( 60 ) for phi grid will be used ... * Setting up the angular grid and basis functions... *** THE GRID PARAMETERS *** * Number of phi's : 60 * Delta value in phi coordinate : 0.104719755119660 * Number of theta's : 19 * JMax in basis set : 36 * JMin in basis set : 0 * Delta J in basis set : 2 * Grid has been set up for JIn = 0 , MjIn = 0 ... *** CONTINUING SETUP II *** * Setting up the angular DVR/FBR transform module and the transformation matric es ... *** SETUP DONE *** ******************************************************************************** INFO FROM MISCELLANEOUS SETUP ******************************************************************************** grid interval size in kz dir. (scat. grid) = 0.317333 grid interval size in kz dir. (spec. grid) = 0.249333 initial momentum in z direction = 9.275865 grid interval size in kr dir. = 0.747998 grid interval size in kx dir. = 1.491644 initial momentum in reciprocal x direction = 0.000000 grid interval size in ky dir. = 1.491644 initial momentum in reciprocal y direction = 0.000000 For backward compatibility: nmoder = 4 asymptotic analysis at z = 15.200000 No flux analysis performed. nzpot = 162 optical potential in z scat.grid: nzchsp = 163 z(nzchsp)= 15.200000 optical potential in z scat.grid: nzchmx = 198 z(nzchmx)= 18.700000 optical potential in z spec.grid: nschsp = 209 z(nschsp)= 19.800000 optical potential in z spec.grid: nschmx = 252 z(nschmx)= 24.100000 optical potential in r scat.grid: nrchsp = 26 r(nrchsp)= 4.550000 optical potential in r scat.grid: nrchmx = 56 r(nrchmx)= 9.050000 max kinetic energy in r (ev) = 6.497306 with current time interval in the analysis the max total energy for which results can be obtained (eV) = 1.709743 zero of etot is energy lowest h2 state the 95% confidence interval defined by alfwv and enrgy: ectmin (ev) = 0.150000 ectmax (ev) = 0.550000 Total time for potential initialisation = 0.16188622E-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 = 19 Number of points in phi for which the potential is calculated = 60 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 = 140 iz = 139 iz = 141 iz = 142 iz = 144 iz = 148 iz = 152 iz = 156 iz = 145 iz = 146 iz = 149 iz = 160 iz = 150 iz = 153 iz = 154 iz = 157 iz = 158 iz = 161 iz = 162 iz = 143 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_36_28. 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 = 0.27274691E+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 -0.509430 0.1108407D-01 0.6766701D-03 1.0000000 1.4592222 0 1 -4.872088 -0.494958 0.1074900D-01 0.6544072D-03 1.0000000 1.4614064 0 2 -4.843277 -0.466146 0.1010829D-01 0.6120063D-03 1.0000000 1.4657641 0 3 -4.800385 -0.423254 0.9216637D-02 0.5533927D-03 1.0000000 1.4722741 0 4 -4.743793 -0.366663 0.8146544D-02 0.4837088D-03 1.0000000 1.4809057 0 5 -4.673990 -0.296860 0.6978806D-02 0.4085885D-03 1.0000000 1.4916191 0 6 -4.591560 -0.214430 0.5792699D-02 0.3334277D-03 1.0000000 1.5043673 0 7 -4.497167 -0.120037 0.4657444D-02 0.2627771D-03 1.0000000 1.5190968 0 8 -4.391538 -0.014408 0.3626184D-02 0.1999469D-03 1.0000000 1.5357497 0 9 -4.275447 0.101684 0.2733089D-02 0.1468600D-03 1.0000000 1.5542650 0 10 -4.149699 0.227432 0.1993548D-02 0.1041307D-03 1.0000000 1.5745804 0 11 -4.015115 0.362015 0.1406814D-02 0.7131162D-04 1.0000000 1.5966338 0 12 -3.872520 0.504610 0.9601839D-03 0.4722808D-04 1.0000000 1.6203649 0 13 -3.722731 0.654400 0.6336524D-03 0.3032238D-04 1.0000000 1.6457168 0 14 -3.566546 0.810585 0.4042006D-03 0.1895074D-04 1.0000000 1.6726370 0 15 -3.404739 0.972391 0.2491495D-03 0.1159880D-04 1.0000000 1.7010784 0 16 -3.238056 1.139074 0.1483557D-03 0.7007247D-05 1.0000000 1.7310003 0 17 -3.067207 1.309923 0.8530722D-04 0.4216678D-05 1.0000000 1.7623681 0 18 -2.892866 1.484265 0.4735220D-04 0.2552000D-05 1.0000000 1.7951540 0 19 -2.715668 1.661462 0.2535977D-04 0.1570764D-05 1.0000000 1.8293366 0 20 -2.536212 1.840919 0.1309290D-04 0.9984743D-06 1.0000000 1.8649010 0 21 -2.355055 2.022075 0.6506324D-05 0.6687072D-06 1.0000000 1.9018391 0 22 -2.172720 2.204410 0.3103067D-05 0.4784094D-06 1.0000000 1.9401511 0 23 -1.989692 2.387438 0.1413474D-05 0.3609022D-06 1.0000000 1.9798469 0 24 -1.806422 2.570708 0.6108915D-06 0.2730916D-06 1.0000000 2.0209484 0 25 -1.623330 2.753800 0.2496658D-06 0.1905184D-06 1.0000000 2.0634922 0 26 -1.440808 2.936323 0.9869287D-07 0.1043847D-06 1.0000000 2.1075305 0 27 -1.259222 3.117908 0.4237105D-07 0.1735779D-07 1.0000000 2.1531306 0 28 -1.078916 3.298215 -0.2502810D-07 0.6205393D-07 1.0000000 2.2003723 0 29 -0.900213 3.476918 -0.2121238D-07 0.1249720D-06 1.0000000 2.2493422 0 30 -0.723415 3.653716 -0.2031340D-07 0.1657846D-06 1.0000000 2.3001271 0 31 -0.548804 3.828327 -0.1871562D-07 0.1833134D-06 1.0000000 2.3528071 0 32 -0.376639 4.000492 -0.1582985D-07 0.1800695D-06 1.0000000 2.4074525 0 33 -0.207155 4.169975 -0.1214360D-07 0.1607287D-06 1.0000000 2.4641264 0 34 -0.040566 4.336565 -0.8337099D-08 0.1307806D-06 1.0000000 2.5228961 0 35 0.122942 4.500072 -0.4940501D-08 0.9584392D-07 1.0000000 2.5838538 0 36 0.283195 4.660326 -0.2134724D-08 0.6532566D-07 1.0000000 2.6471457 1 0 -4.377131 0.000000 0.2956956D-01 0.2094185D-02 1.0000000 1.5567653 1 1 -4.363394 0.013737 0.2872491D-01 0.2028557D-02 1.0000000 1.5589873 1 2 -4.336044 0.041086 0.2710458D-01 0.1903183D-02 1.0000000 1.5634221 1 3 -4.295327 0.081804 0.2483768D-01 0.1728998D-02 1.0000000 1.5700508 1 4 -4.241599 0.135531 0.2209741D-01 0.1520482D-02 1.0000000 1.5788466 1 5 -4.175323 0.201807 0.1908004D-01 0.1293749D-02 1.0000000 1.5897747 1 6 -4.097050 0.280080 0.1598258D-01 0.1064561D-02 1.0000000 1.6027943 1 7 -4.007410 0.369721 0.1298220D-01 0.8466080D-03 1.0000000 1.6178591 1 8 -3.907091 0.470040 0.1022065D-01 0.6502907D-03 1.0000000 1.6349192 1 9 -3.796830 0.580301 0.7795213D-02 0.4821432D-03 1.0000000 1.6539220 1 10 -3.677394 0.699736 0.5756893D-02 0.3448852D-03 1.0000000 1.6748131 1 11 -3.549570 0.827561 0.4114855D-02 0.2379758D-03 1.0000000 1.6975372 1 12 -3.414146 0.962985 0.2845305D-02 0.1584757D-03 1.0000000 1.7220385 1 13 -3.271907 1.105224 0.1902477D-02 0.1020129D-03 1.0000000 1.7482614 1 14 -3.123619 1.253512 0.1229541D-02 0.6367986D-04 1.0000000 1.7761507 1 15 -2.970025 1.407105 0.7677620D-03 0.3874540D-04 1.0000000 1.8056544 1 16 -2.811840 1.565291 0.4630331D-03 0.2312868D-04 1.0000000 1.8367256 1 17 -2.649741 1.727389 0.2696261D-03 0.1363161D-04 1.0000000 1.8693275 1 18 -2.484372 1.892758 0.1515515D-03 0.7964809D-05 1.0000000 1.9034382 1 19 -2.316341 2.060790 0.8220347D-04 0.4625799D-05 1.0000000 1.9390543 1 20 -2.146220 2.230911 0.4300803D-04 0.2699686D-05 1.0000000 1.9761940 1 21 -1.974553 2.402578 0.2167862D-04 0.1649070D-05 1.0000000 2.0148935 1 22 -1.801852 2.575278 0.1049672D-04 0.1143608D-05 1.0000000 2.0552011 1 23 -1.628604 2.748527 0.4849161D-05 0.9535120D-06 1.0000000 2.0971646 1 24 -1.455263 2.921868 0.2106913D-05 0.9041519D-06 1.0000000 2.1408178 1 25 -1.282253 3.094878 0.8363547D-06 0.8699011D-06 1.0000000 2.1861690 1 26 -1.109959 3.267171 0.2853172D-06 0.7800547D-06 1.0000000 2.2331972 1 27 -0.938728 3.438403 0.7152578D-07 0.6172292D-06 1.0000000 2.2818597 1 28 -0.768863 3.608268 0.5955816D-08 0.4025537D-06 1.0000000 2.3321141 1 29 -0.600629 3.776501 -0.1855380D-08 0.1736366D-06 1.0000000 2.3839503 1 30 -0.434265 3.942866 -0.7203174D-08 0.3474696D-07 1.0000000 2.4374261 1 31 -0.269989 4.107141 -0.1667264D-07 0.2008302D-06 1.0000000 2.4926969 1 32 -0.108020 4.269110 -0.2151494D-07 0.3169960D-06 1.0000000 2.5500321 1 33 0.051415 4.428545 -0.2142833D-07 0.3870395D-06 1.0000000 2.6098152 1 34 0.208069 4.585200 -0.1732536D-07 0.4332916D-06 1.0000000 2.6725312 1 35 0.308320 4.685451 0.8223540D-02 0.2812950D+00 1.0000000 8.2643229 1 36 0.324037 4.701168 0.7980294D-02 0.2876719D+00 1.0000000 8.2789201 2 0 -3.893806 0.483324 0.5771819D-01 0.4751239D-02 1.0000000 1.6575165 2 1 -3.880782 0.496349 0.5615908D-01 0.4609568D-02 1.0000000 1.6597984 2 2 -3.854850 0.522281 0.5315887D-01 0.4338129D-02 1.0000000 1.6643531 2 3 -3.816243 0.560888 0.4894017D-01 0.3959188D-02 1.0000000 1.6711626 2 4 -3.765299 0.611832 0.4380517D-01 0.3502542D-02 1.0000000 1.6802002 2 5 -3.702455 0.674675 0.3810226D-01 0.3001846D-02 1.0000000 1.6914311 2 6 -3.628235 0.748896 0.3218887D-01 0.2490697D-02 1.0000000 1.7048133 2 7 -3.543232 0.833899 0.2639577D-01 0.1999073D-02 1.0000000 1.7202983 2 8 -3.448099 0.929031 0.2099758D-01 0.1550658D-02 1.0000000 1.7378329 2 9 -3.343534 1.033597 0.1619351D-01 0.1161345D-02 1.0000000 1.7573614 2 10 -3.230260 1.146871 0.1209991D-01 0.8389907D-03 1.0000000 1.7788292 2 11 -3.109020 1.268111 0.8754491D-02 0.5842474D-03 1.0000000 1.8021864 2 12 -2.980561 1.396570 0.6129547D-02 0.3921294D-03 1.0000000 1.8273924 2 13 -2.845627 1.531503 0.4150647D-02 0.2539269D-03 1.0000000 1.8544197 2 14 -2.704953 1.672178 0.2716632D-02 0.1591155D-03 1.0000000 1.8832547 2 15 -2.559257 1.817874 0.1717553D-02 0.9700017D-04 1.0000000 1.9138957 2 16 -2.409239 1.967892 0.1048338D-02 0.5794320D-04 1.0000000 1.9463452 2 17 -2.255573 2.121557 0.6174369D-03 0.3411118D-04 1.0000000 1.9806003 2 18 -2.098905 2.278226 0.3507947D-03 0.1975138D-04 1.0000000 2.0166416 2 19 -1.939841 2.437290 0.1922546D-03 0.1106586D-04 1.0000000 2.0544251 2 20 -1.778945 2.598185 0.1016680D-03 0.5806463D-05 1.0000000 2.0938824 2 21 -1.616734 2.760397 0.5189138D-04 0.2750023D-05 1.0000000 2.1349296 2 22 -1.453671 2.923459 0.2554657D-04 0.1212388D-05 1.0000000 2.1774871 2 23 -1.290177 3.086954 0.1208783D-04 0.7130541D-06 1.0000000 2.2215056 2 24 -1.126630 3.250501 0.5441000D-05 0.8240646D-06 1.0000000 2.2669927 2 25 -0.963384 3.413746 0.2274031D-05 0.1161683D-05 1.0000000 2.3140301 2 26 -0.800777 3.576353 0.8340432D-06 0.1439803D-05 1.0000000 2.3627752 2 27 -0.639142 3.737989 0.2271824D-06 0.1510905D-05 1.0000000 2.4134430 2 28 -0.478807 3.898323 0.6553576D-08 0.1358787D-05 1.0000000 2.4662759 2 29 -0.320101 4.057030 -0.4767921D-07 0.1049775D-05 1.0000000 2.5215137 2 30 -0.163340 4.213790 -0.4035016D-07 0.6729239D-06 1.0000000 2.5793812 2 31 -0.008828 4.368303 -0.1809269D-07 0.2977293D-06 1.0000000 2.6401056 2 32 0.143150 4.520281 -0.8700250D-09 0.4330716D-07 1.0000000 2.7039613 2 33 0.278015 4.655146 0.8755666D-02 0.2685474D+00 1.0000000 8.2332278 2 34 0.292979 4.670110 0.8481541D-02 0.2749197D+00 1.0000000 8.2491067 2 35 0.361675 4.738806 -0.1372185D-07 0.3697150D-06 1.0000000 2.7387486 2 36 0.407960 4.785091 0.8927331D-02 0.3168410D+00 1.0000000 7.7398765 energy initial v,j state = -4.377131 potential energy = -4.750720 rotational energy = 0.000000 vibrational energy = 0.373589 rovibrational energy = 0.373589 expectation value r = 1.556765 ******************************************************************************** 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 ******************************************************************************** 663 rotation channels in basis (nrotw) * number of rotational states analysed, nana = 91 * initial rotational state in basis, ichn = 323 ******************************************************************************** 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 = 11383 ******************************************************************************** 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 0.20018138E-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 1.55676526 0.10000000E+01 0.50000000E+02 0.99999910 17.27377086 1.55678533 0.99999910E+00 0.10000000E+03 0.99999818 17.14754172 1.55680406 0.99999816E+00 0.15000000E+03 0.99999726 17.02131258 1.55680802 0.99999709E+00 0.20000000E+03 0.99999635 16.89508344 1.55680788 0.99999493E+00 0.25000000E+03 0.99999543 16.76885430 1.55680441 0.99998532E+00 0.30000000E+03 0.99999451 16.64262516 1.55678929 0.99993388E+00 0.35000000E+03 0.99999360 16.51639602 1.55676786 0.99969090E+00 0.40000000E+03 0.99999268 16.39016687 1.55677644 0.99874066E+00 0.45000000E+03 0.99999177 16.26393773 1.55680335 0.99568863E+00 0.50000000E+03 0.99999085 16.13770858 1.55680846 0.98759828E+00 0.55000000E+03 0.99998993 16.01147941 1.55680886 0.96971293E+00 0.60000000E+03 0.99998902 15.88525016 1.55680594 0.93628601E+00 0.65000000E+03 0.99998810 15.75902072 1.55679247 0.88264956E+00 0.70000000E+03 0.99998718 15.63279086 1.55677086 0.80755248E+00 0.75000000E+03 0.99998627 15.50656013 1.55676940 0.71430891E+00 0.80000000E+03 0.99998535 15.38032789 1.55679923 0.61002122E+00 0.85000000E+03 0.99998444 15.25409318 1.55681141 0.50340213E+00 0.90000000E+03 0.99998352 15.12785481 1.55681012 0.40241281E+00 0.95000000E+03 0.99998260 15.00161134 1.55680725 0.31270392E+00 0.10000000E+04 0.99998169 14.87536121 1.55679445 0.23715748E+00 0.10500000E+04 0.99998077 14.74910281 1.55677302 0.17626798E+00 0.11000000E+04 0.99997985 14.62283452 1.55676570 0.12890747E+00 0.11500000E+04 0.99997894 14.49655480 1.55679185 0.93102831E-01 0.12000000E+04 0.99997802 14.37026218 1.55681623 0.66631932E-01 0.12500000E+04 0.99997711 14.24395523 1.55681178 0.47393644E-01 0.13000000E+04 0.99997619 14.11763258 1.55680946 0.33588358E-01 0.13500000E+04 0.99997527 13.99129279 1.55679610 0.23770550E-01 0.14000000E+04 0.99997436 13.86493438 1.55677650 0.16829582E-01 0.14500000E+04 0.99997344 13.73855569 1.55676775 0.11938759E-01 0.15000000E+04 0.99997252 13.61215484 1.55679202 0.84966327E-02 0.15500000E+04 0.99997161 13.48572972 1.55682838 0.60727203E-02 0.16000000E+04 0.99997070 13.35927785 1.55683457 0.43624105E-02 0.16500000E+04 0.99996978 13.23279640 1.55683201 0.31517987E-02 0.17000000E+04 0.99996886 13.10628214 1.55683198 0.22913749E-02 0.17500000E+04 0.99996794 12.97973144 1.55682235 0.16768799E-02 0.18000000E+04 0.99996703 12.85314024 1.55682790 0.12356410E-02 0.18500000E+04 0.99996611 12.72650409 1.55686515 0.91694972E-03 0.19000000E+04 0.99996520 12.59981821 1.55692367 0.68534342E-03 0.19500000E+04 0.99996428 12.47307748 1.55695919 0.51594206E-03 0.20000000E+04 0.99996336 12.34627653 1.55697126 0.39122084E-03 0.20500000E+04 0.99996245 12.21940975 1.55699332 0.29878069E-03 0.21000000E+04 0.99996153 12.09247140 1.55700955 0.22980441E-03 0.21500000E+04 0.99996062 11.96545558 1.55703757 0.17798936E-03 0.22000000E+04 0.99995970 11.83835629 1.55709601 0.13880513E-03 0.22500000E+04 0.99995878 11.71116746 1.55717835 0.10897624E-03 0.23000000E+04 0.99995787 11.58388294 1.55724275 0.86121215E-04 0.23500000E+04 0.99995695 11.45649652 1.55727351 0.68497115E-04 0.24000000E+04 0.99995604 11.32900195 1.55730704 0.54821159E-04 0.24500000E+04 0.99995512 11.20139292 1.55734780 0.44143391E-04 0.25000000E+04 0.99995421 11.07366310 1.55738973 0.35756120E-04 0.25500000E+04 0.99995329 10.94580612 1.55746429 0.29129049E-04 0.26000000E+04 0.99995237 10.81781565 1.55755840 0.23862525E-04 0.26500000E+04 0.99995146 10.68968539 1.55764353 0.19653406E-04 0.27000000E+04 0.99995054 10.56140915 1.55768873 0.16271383E-04 0.27500000E+04 0.99994962 10.43298094 1.55772712 0.13539309E-04 0.28000000E+04 0.99994870 10.30439505 1.55778428 0.11320925E-04 0.28500000E+04 0.99994779 10.17564617 1.55784400 0.95106793E-05 0.29000000E+04 0.99994687 10.04672953 1.55792849 0.80263778E-05 0.29500000E+04 0.99994595 9.91764107 1.55804037 0.68034586E-05 0.30000000E+04 0.99994503 9.78837764 1.55814394 0.57917497E-05 0.30500000E+04 0.99994411 9.65893725 1.55821591 0.49509724E-05 0.31000000E+04 0.99994318 9.52931926 1.55827146 0.42492821E-05 0.31500000E+04 0.99994226 9.39952476 1.55835461 0.36612426E-05 0.32000000E+04 0.99994133 9.26955681 1.55845718 0.31664653E-05 0.32500000E+04 0.99994040 9.13942081 1.55857759 0.27485451E-05 0.33000000E+04 0.99993947 9.00912490 1.55873859 0.23942126E-05 0.33500000E+04 0.99993853 8.87868034 1.55890518 0.20926723E-05 0.34000000E+04 0.99993759 8.74810196 1.55905682 0.18351053E-05 0.34500000E+04 0.99993665 8.61740858 1.55920339 0.16143042E-05 0.35000000E+04 0.99993570 8.48662357 1.55939444 0.14243841E-05 0.35500000E+04 0.99993474 8.35577522 1.55964199 0.12602902E-05 0.36000000E+04 0.99993378 8.22489734 1.55993383 0.11185135E-05 0.36500000E+04 0.99993281 8.09402967 1.56029211 0.99545670E-06 0.37000000E+04 0.99993183 7.96321841 1.56071232 0.88829798E-06 0.37500000E+04 0.99993084 7.83251665 1.56116555 0.79467787E-06 0.38000000E+04 0.99992983 7.70198487 1.56167522 0.71264631E-06 0.38500000E+04 0.99992880 7.57169128 1.56228639 0.64059437E-06 0.39000000E+04 0.99992773 7.44171216 1.56304393 0.57717693E-06 0.39500000E+04 0.99992661 7.31213213 1.56393833 0.52104356E-06 0.40000000E+04 0.99992539 7.18304429 1.56499080 0.47162309E-06 0.40500000E+04 0.99992401 7.05455030 1.56622766 0.42784504E-06 0.41000000E+04 0.99992238 6.92676038 1.56763788 0.38895527E-06 0.41500000E+04 0.99992035 6.79979317 1.56924509 0.35429021E-06 0.42000000E+04 0.99991769 6.67377548 1.57110988 0.32328377E-06 0.42500000E+04 0.99991407 6.54884189 1.57328834 0.29548379E-06 0.43000000E+04 0.99990900 6.42513427 1.57580285 0.27054880E-06 0.43500000E+04 0.99990183 6.30280106 1.57866079 0.24801454E-06 0.44000000E+04 0.99989162 6.18199664 1.58190477 0.22802026E-06 0.44500000E+04 0.99987716 6.06288045 1.58554510 0.21008385E-06 0.45000000E+04 0.99985685 5.94561617 1.58958912 0.19391556E-06 0.45500000E+04 0.99982864 5.83037071 1.59408697 0.17925520E-06 0.46000000E+04 0.99978994 5.71731317 1.59907994 0.16590351E-06 0.46500000E+04 0.99973759 5.60661373 1.60458348 0.15372110E-06 0.47000000E+04 0.99966776 5.49844245 1.61057973 0.14260416E-06 0.47500000E+04 0.99957591 5.39296810 1.61706345 0.13246225E-06 0.48000000E+04 0.99945679 5.29035705 1.62402301 0.12321298E-06 0.48500000E+04 0.99930438 5.19077224 1.63141532 0.11478586E-06 0.49000000E+04 0.99911194 5.09437212 1.63921561 0.10711847E-06 0.49500000E+04 0.99887210 5.00130962 1.64740557 0.99937630E-07 0.50000000E+04 0.99857690 4.91173122 1.65593606 0.93581793E-07 0.50500000E+04 0.99821793 4.82577597 1.66473681 0.87758968E-07 0.51000000E+04 0.99778654 4.74357473 1.67372870 0.82387414E-07 0.51500000E+04 0.99727398 4.66524956 1.68284478 0.77403182E-07 0.52000000E+04 0.99667165 4.59091321 1.69199926 0.72765728E-07 0.52500000E+04 0.99597137 4.52066881 1.70111127 0.68449994E-07 0.53000000E+04 0.99516555 4.45460952 1.71012094 0.64437560E-07 0.53500000E+04 0.99424747 4.39281827 1.71896090 0.60711868E-07 0.54000000E+04 0.99321145 4.33536760 1.72754887 0.57253438E-07 0.54500000E+04 0.99205304 4.28231984 1.73579740 0.54048554E-07 0.55000000E+04 0.99076911 4.23372769 1.74362191 0.51081118E-07 0.55500000E+04 0.98935794 4.18963531 1.75093727 0.48144887E-07 0.56000000E+04 0.98781918 4.15007980 1.75765439 0.45608951E-07 0.56500000E+04 0.98615387 4.11509273 1.76370389 0.43253157E-07 0.57000000E+04 0.98436432 4.08470183 1.76902061 0.41060242E-07 0.57500000E+04 0.98245405 4.05893257 1.77352638 0.39018794E-07 0.58000000E+04 0.98042776 4.03780977 1.77713371 0.37101393E-07 0.58500000E+04 0.97829118 4.02135894 1.77975351 0.35310244E-07 0.59000000E+04 0.97605111 4.00960718 1.78130764 0.33640012E-07 0.59500000E+04 0.97371535 4.00258306 1.78174199 0.32086342E-07 0.60000000E+04 0.97129266 4.00031476 1.78105894 0.30664672E-07 0.60500000E+04 0.96879280 4.00282626 1.77933893 0.29258658E-07 0.61000000E+04 0.96622647 4.01013163 1.77672993 0.27892963E-07 0.61500000E+04 0.96360532 4.02222822 1.77342457 0.26832106E-07 0.62000000E+04 0.96094198 4.03909004 1.76961293 0.25875230E-07 0.62500000E+04 0.95825002 4.06066322 1.76541930 0.24758209E-07 0.63000000E+04 0.95554400 4.08686479 1.76085230 0.24099756E-07 0.63500000E+04 0.95283941 4.11758578 1.75579726 0.24152305E-07 0.64000000E+04 0.95015264 4.15269814 1.75006558 0.24107562E-07 0.64500000E+04 0.94750077 4.19206384 1.74347189 0.24467554E-07 ==> ZAnalysis on specular channel fixed at Z = 0.16900000E+02 0.65000000E+04 0.94490126 4.23554407 1.73592677 0.27271557E-07 0.65500000E+04 0.94237145 4.28300600 1.72750912 0.32038572E-07 0.66000000E+04 0.93992790 4.33432562 1.71847621 0.37591073E-07 0.66500000E+04 0.93758567 4.38938640 1.70920225 0.46557511E-07 0.67000000E+04 0.93535747 4.44807476 1.70006926 0.63434710E-07 0.67500000E+04 0.93325301 4.51027454 1.69135876 0.87890889E-07 0.68000000E+04 0.93127849 4.57586273 1.68318353 0.11874881E-06 0.68500000E+04 0.92943641 4.64470790 1.67548365 0.16326249E-06 0.69000000E+04 0.92772572 4.71667185 1.66809302 0.23276030E-06 0.69500000E+04 0.92614237 4.79161345 1.66083643 0.33277295E-06 0.70000000E+04 0.92468014 4.86939319 1.65361212 0.46950232E-06 0.70500000E+04 0.92333159 4.94987642 1.64642779 0.66392201E-06 0.71000000E+04 0.92208905 5.03293439 1.63938483 0.94941231E-06 0.71500000E+04 0.92094548 5.11844263 1.63262602 0.13578017E-05 0.72000000E+04 0.91989492 5.20627787 1.62627444 0.19188673E-05 0.72500000E+04 0.91893265 5.29631457 1.62039743 0.26761658E-05 0.73000000E+04 0.91805497 5.38842289 1.61500357 0.36940690E-05 0.73500000E+04 0.91725872 5.48246889 1.61005927 0.50406291E-05 0.74000000E+04 0.91654064 5.57831718 1.60550987 0.67706408E-05 0.74500000E+04 0.91589680 5.67583532 1.60129629 0.89404053E-05 0.75000000E+04 0.91532220 5.77489857 1.59736595 0.11640474E-04 0.75500000E+04 0.91481063 5.87539375 1.59367787 0.14999354E-04 0.76000000E+04 0.91435481 5.97722084 1.59020920 0.19151439E-04 0.76500000E+04 0.91394668 6.08029228 1.58696542 0.24232596E-04 0.77000000E+04 0.91357794 6.18453005 1.58398167 0.30437971E-04 0.77500000E+04 0.91324046 6.28986172 1.58130575 0.38080769E-04 0.78000000E+04 0.91292665 6.39621657 1.57896724 0.47566012E-04 0.78500000E+04 0.91262970 6.50352278 1.57695113 0.59304681E-04 0.79000000E+04 0.91234356 6.61170633 1.57519049 0.73684758E-04 0.79500000E+04 0.91206286 6.72069134 1.57358428 0.91149181E-04 0.80000000E+04 0.91178271 6.83040131 1.57203829 0.11228444E-03 0.80500000E+04 0.91149844 6.94076057 1.57050672 0.13776582E-03 0.81000000E+04 0.91120540 7.05169504 1.56900849 0.16818903E-03 0.81500000E+04 0.91089880 7.16313207 1.56760752 0.20397239E-03 0.82000000E+04 0.91057357 7.27499947 1.56637094 0.24546629E-03 0.82500000E+04 0.91022437 7.38722412 1.56532960 0.29316142E-03 0.83000000E+04 0.90984552 7.49973060 1.56445969 0.34775043E-03 0.83500000E+04 0.90943108 7.61244052 1.56369672 0.40994795E-03 0.84000000E+04 0.90897481 7.72527239 1.56297308 0.48029120E-03 0.84500000E+04 0.90847023 7.83814217 1.56225241 0.55919028E-03 0.85000000E+04 0.90791061 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0.00216993 18.94587392 1.55679594 0.15332268E-03 0.21050000E+05 0.00210379 18.94685604 1.55888812 0.14844446E-03 0.21100000E+05 0.00203974 18.94767728 1.55974835 0.14370525E-03 0.21150000E+05 0.00197772 18.94835306 1.55880122 0.13910863E-03 0.21200000E+05 0.00191768 18.94889823 1.55678572 0.13466279E-03 0.21250000E+05 0.00185955 18.94932661 1.55518656 0.13037603E-03 0.21300000E+05 0.00180328 18.94965058 1.55512106 0.12625303E-03 0.21350000E+05 0.00174881 18.94988081 1.55656074 0.12229243E-03 0.21400000E+05 0.00169609 18.95002602 1.55842877 0.11848622E-03 0.21450000E+05 0.00164506 18.95009294 1.55939613 0.11482090E-03 0.21500000E+05 0.00159567 18.95008632 1.55881302 0.11128061E-03 0.21550000E+05 0.00154785 18.95000908 1.55715755 0.10785082E-03 0.21600000E+05 0.00150156 18.94986249 1.55566134 0.10452150E-03 0.21650000E+05 0.00145674 18.94964644 1.55538421 0.10128818E-03 0.21700000E+05 0.00141335 18.94935964 1.55645782 0.98150921E-04 0.21750000E+05 0.00137133 18.94899989 1.55805509 0.95112032E-04 0.21800000E+05 0.00133064 18.94856430 1.55902749 0.92173693E-04 0.21850000E+05 0.00129122 18.94804958 1.55871639 0.89336636E-04 0.21900000E+05 0.00125305 18.94745221 1.55740522 0.86599520E-04 0.21950000E+05 0.00121607 18.94676866 1.55608483 0.83959169E-04 0.22000000E+05 0.00118025 18.94599552 1.55570502 0.81410918E-04 0.22050000E+05 0.00114554 18.94512966 1.55648739 0.78949176E-04 0.22100000E+05 0.00111192 18.94416826 1.55781024 0.76568287E-04 0.22150000E+05 0.00107934 18.94310894 1.55870265 0.74263271E-04 0.22200000E+05 0.00104778 18.94194983 1.55854817 0.72030454E-04 0.22250000E+05 0.00101719 18.94068962 1.55751410 0.69867184E-04 0.22300000E+05 0.00098755 18.93932765 1.55640251 0.67771205E-04 0.22350000E+05 0.00095883 18.93786386 1.55602984 0.65739896E-04 0.22400000E+05 0.00093100 18.93629882 1.55662984 0.63770272E-04 0.22450000E+05 0.00090403 18.93463356 1.55771578 0.61859770E-04 0.22500000E+05 0.00087790 18.93286947 1.55847205 0.60007195E-04 0.22550000E+05 0.00085257 18.93100816 1.55835853 0.58213106E-04 0.22600000E+05 0.00082803 18.92905124 1.55750215 0.56478894E-04 0.22650000E+05 0.00080424 18.92700024 1.55658662 0.54805366E-04 0.22700000E+05 0.00078119 18.92485642 1.55630750 0.53191403E-04 0.22750000E+05 0.00075885 18.92262073 1.55684559 0.51633944E-04 0.22800000E+05 0.00073720 18.92029374 1.55776477 0.50128894E-04 0.22850000E+05 0.00071621 18.91787569 1.55836296 0.48672410E-04 0.22900000E+05 0.00069587 18.91536652 1.55819695 0.47261585E-04 0.22950000E+05 0.00067615 18.91276594 1.55741432 0.45894179E-04 0.23000000E+05 0.00065703 18.91007354 1.55664749 0.44568021E-04 0.23050000E+05 0.00063850 18.90728875 1.55650512 0.43280667E-04 0.23100000E+05 0.00062054 18.90441087 1.55708303 0.42029894E-04 0.23150000E+05 0.00060312 18.90143907 1.55791895 0.40814463E-04 0.23200000E+05 0.00058623 18.89837233 1.55837111 0.39634626E-04 0.23250000E+05 0.00056985 18.89520949 1.55809745 0.38491740E-04 0.23300000E+05 0.00055397 18.89194929 1.55730930 0.37387239E-04 0.23350000E+05 0.00053857 18.88859042 1.55663275 0.36321552E-04 0.23400000E+05 0.00052363 18.88513162 1.55662299 0.35293613E-04 0.23450000E+05 0.00050914 18.88157172 1.55729431 0.34301174E-04 0.23500000E+05 0.00049509 18.87790971 1.55811668 0.33341617E-04 0.23550000E+05 0.00048146 18.87414473 1.55846044 0.32412719E-04 0.23600000E+05 0.00046824 18.87027605 1.55807054 0.31512960E-04 0.23650000E+05 0.00045541 18.86630310 1.55724093 0.30641261E-04 0.23700000E+05 0.00044297 18.86222529 1.55660957 0.29796468E-04 0.23750000E+05 0.00043090 18.85804205 1.55669291 0.28976950E-04 0.23800000E+05 0.00041919 18.85375268 1.55744978 0.28180594E-04 0.23850000E+05 0.00040782 18.84935635 1.55829118 0.27405308E-04 0.23900000E+05 0.00039680 18.84485205 1.55857484 0.26649607E-04 0.23950000E+05 0.00038610 18.84023866 1.55810521 0.25913042E-04 0.24000000E+05 0.00037571 18.83551500 1.55724645 0.25196087E-04 ************************************************************************ info from reading or writing asymptotic info ************************************************************************ # timesteps for which bk coefs available is: 480 # data used, ndused = 480 effective prop.time, spectral resolution (mev) = 24000.0000 0.3561964E+01 meaningful results in kin energy range (ev) 0.003562 1.709743 results will be obtained for nen95 energies,nen95 = 112 ************************************************************************ info from gtaife ************************************************************************ ************************************************************************ info from probaf ************************************************************************ # of data skipped in between data in next printout = 0 idat ekin(ev) preact phase 1 0.1531644 -0.002009 -1.70124 2 0.1567264 -0.002052 -2.12305 3 0.1602884 0.001636 -2.54493 4 0.1638503 0.004590 -2.96908 5 0.1674123 0.003425 2.89438 6 0.1709743 -0.000150 2.48486 7 0.1745362 -0.001546 2.08120 8 0.1780982 0.000773 1.67350 9 0.1816602 0.003339 1.25959 10 0.1852221 0.002528 0.84973 11 0.1887841 -0.000349 0.45383 12 0.1923461 -0.001039 0.07050 13 0.1959080 0.001287 -0.30473 14 0.1994700 0.002808 -0.66701 15 0.2030319 0.001045 -1.00617 16 0.2065939 -0.001153 -1.32013 17 0.2101559 -0.000163 -1.61599 18 0.2137178 0.002419 -1.89962 19 0.2172798 0.002291 -2.17007 20 0.2208418 -0.000377 -2.42516 21 0.2244037 -0.001105 -2.66857 22 0.2279657 0.001326 -2.90780 23 0.2315277 0.002732 3.13656 24 0.2350896 0.000725 2.90014 25 0.2386516 -0.001145 2.66709 26 0.2422135 0.000319 2.43197 27 0.2457755 0.002339 2.18821 28 0.2493375 0.001298 1.93614 29 0.2528994 -0.000717 1.68021 30 0.2564614 0.000078 1.41867 31 0.2600234 0.002143 1.14576 32 0.2635853 0.001710 0.86513 33 0.2671473 -0.000042 0.58900 34 0.2707093 0.000577 0.32151 35 0.2742712 0.002612 0.05884 36 0.2778332 0.002520 -0.19551 37 0.2813952 0.001198 -0.43333 38 0.2849571 0.002056 -0.65719 39 0.2885191 0.004206 -0.87682 40 0.2920810 0.004445 -1.09356 41 0.2956430 0.003776 -1.30242 42 0.2992050 0.005206 -1.50698 43 0.3027669 0.007598 -1.71667 44 0.3063289 0.008259 -1.93092 45 0.3098909 0.008562 -2.14194 46 0.3134528 0.010920 -2.35176 47 0.3170148 0.013778 -2.56696 48 0.3205768 0.015171 -2.78117 49 0.3241387 0.016947 -2.98396 50 0.3277007 0.020688 3.10465 51 0.3312626 0.024394 2.91324 52 0.3348246 0.027004 2.73224 53 0.3383866 0.030700 2.56639 54 0.3419485 0.036081 2.40724 55 0.3455105 0.040928 2.24949 56 0.3490725 0.045116 2.09910 57 0.3526344 0.050758 1.95602 58 0.3561964 0.057534 1.80970 59 0.3597584 0.063608 1.65801 60 0.3633203 0.069770 1.50872 61 0.3668823 0.077514 1.35823 62 0.3704442 0.085742 1.19555 63 0.3740062 0.093523 1.02630 64 0.3775682 0.102319 0.86147 65 0.3811301 0.112562 0.69341 66 0.3846921 0.122570 0.51689 67 0.3882541 0.132223 0.34696 68 0.3918160 0.142879 0.18749 69 0.3953780 0.153923 0.02520 70 0.3989400 0.164104 -0.13607 71 0.4025019 0.174363 -0.28421 72 0.4060639 0.185357 -0.42915 73 0.4096259 0.195634 -0.57924 74 0.4131878 0.204992 -0.72068 75 0.4167498 0.215022 -0.85097 76 0.4203117 0.225259 -0.98421 77 0.4238737 0.234111 -1.11520 78 0.4274357 0.242543 -1.23062 79 0.4309976 0.251650 -1.33979 80 0.4345596 0.259915 -1.44999 81 0.4381216 0.267002 -1.54814 82 0.4416835 0.274861 -1.63314 83 0.4452455 0.283002 -1.71932 84 0.4488075 0.289497 -1.80397 85 0.4523694 0.295789 -1.87673 86 0.4559314 0.303469 -1.94702 87 0.4594933 0.310498 -2.02313 88 0.4630553 0.316248 -2.09438 89 0.4666173 0.323088 -2.15965 90 0.4701792 0.330446 -2.23199 91 0.4737412 0.336149 -2.30706 92 0.4773032 0.341935 -2.37376 93 0.4808651 0.349209 -2.44260 94 0.4844271 0.355487 -2.52029 95 0.4879891 0.360631 -2.59278 96 0.4915510 0.367240 -2.66063 97 0.4951130 0.374010 -2.73752 98 0.4986750 0.378931 -2.81414 99 0.5022369 0.384343 -2.88055 100 0.5057989 0.390879 -2.95140 101 0.5093608 0.395701 -3.02769 102 0.5129228 0.399711 -3.09297 103 0.5164848 0.405174 3.12728 104 0.5200467 0.409662 3.05482 105 0.5236087 0.412112 2.98902 106 0.5271707 0.415579 2.93193 107 0.5307326 0.419266 2.86531 108 0.5342946 0.420372 2.79855 109 0.5378566 0.421262 2.74476 110 0.5414185 0.423223 2.68562 111 0.5449805 0.422867 2.61964 112 0.5485424 0.420935 2.56768 ******************************************************************************** PRINTING SCATTERING AND REACTION PROBABILITIES ******************************************************************************** etrans(icomin)= 0.153164 etrans(icomax)= 0.548542 etrans= 0.150000 $$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$ total energy = -0.41699877D+01 trans energy = 0.20714286D+00 trans energy in z = 0.20714286D+00 total momentum = 0.74792309D+01 $$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$ ************************************ rotation-diffraction summed probabilities ************************************ v probability av edif av erot 0 0.6077566E-02 0.1847980E-01 0.1398798E+00 1 0.9949227E+00 0.1323713E-01 0.1541295E-01 2 0.0000000E+00 0.0000000E+00 0.0000000E+00 ************************************ diffraction summed probabilities ************************************ v irot j m probability 0 43 0 0 0.6569944E-03 0 31 2 -2 0.1151971E-04 0 37 2 -1 0.1473430E-03 0 44 2 0 0.7069059E-03 0 50 2 1 0.1473430E-03 0 56 2 2 0.1151968E-04 0 21 4 -4 0.2734077E-06 0 26 4 -3 0.4621881E-06 0 32 4 -2 0.6864627E-05 0 38 4 -1 0.3143851E-03 0 45 4 0 0.2624539E-02 0 51 4 1 0.3143851E-03 0 57 4 2 0.6864625E-05 0 62 4 3 0.4621732E-06 0 67 4 4 0.2734245E-06 0 13 6 -6 0.1980119E-06 0 17 6 -5 0.1698059E-06 0 22 6 -4 0.1621075E-06 0 27 6 -3 0.5127027E-06 0 33 6 -2 0.7505576E-05 0 39 6 -1 0.1228121E-03 0 46 6 0 0.8319555E-03 0 52 6 1 0.1228121E-03 0 58 6 2 0.7505574E-05 0 63 6 3 0.5126837E-06 0 68 6 4 0.1621360E-06 0 72 6 5 0.1697700E-06 0 76 6 6 0.1980340E-06 0 7 8 -8 0.3478775E-08 0 10 8 -7 0.1360099E-07 0 14 8 -6 0.1745793E-07 0 18 8 -5 0.5768719E-07 0 23 8 -4 0.7125145E-06 0 28 8 -3 0.1163740E-04 0 34 8 -2 0.3128596E-06 0 40 8 -1 0.1707465E-05 0 47 8 0 0.3829583E-05 0 53 8 1 0.1707465E-05 0 59 8 2 0.3128591E-06 0 64 8 3 0.1163740E-04 0 69 8 4 0.7125145E-06 0 73 8 5 0.5768766E-07 0 77 8 6 0.1745774E-07 0 80 8 7 0.1360091E-07 0 83 8 8 0.3479022E-08 0 3 10 -10 0.0000000E+00 0 5 10 -9 0.0000000E+00 0 8 10 -8 0.0000000E+00 0 11 10 -7 0.0000000E+00 0 15 10 -6 0.0000000E+00 0 19 10 -5 0.0000000E+00 0 24 10 -4 0.0000000E+00 0 29 10 -3 0.0000000E+00 0 35 10 -2 0.0000000E+00 0 41 10 -1 0.0000000E+00 0 48 10 0 0.0000000E+00 0 54 10 1 0.0000000E+00 0 60 10 2 0.0000000E+00 0 65 10 3 0.0000000E+00 0 70 10 4 0.0000000E+00 0 74 10 5 0.0000000E+00 0 78 10 6 0.0000000E+00 0 81 10 7 0.0000000E+00 0 84 10 8 0.0000000E+00 0 86 10 9 0.0000000E+00 0 88 10 10 0.0000000E+00 0 1 12 -12 0.0000000E+00 0 2 12 -11 0.0000000E+00 0 4 12 -10 0.0000000E+00 0 6 12 -9 0.0000000E+00 0 9 12 -8 0.0000000E+00 0 12 12 -7 0.0000000E+00 0 16 12 -6 0.0000000E+00 0 20 12 -5 0.0000000E+00 0 25 12 -4 0.0000000E+00 0 30 12 -3 0.0000000E+00 0 36 12 -2 0.0000000E+00 0 42 12 -1 0.0000000E+00 0 49 12 0 0.0000000E+00 0 55 12 1 0.0000000E+00 0 61 12 2 0.0000000E+00 0 66 12 3 0.0000000E+00 0 71 12 4 0.0000000E+00 0 75 12 5 0.0000000E+00 0 79 12 6 0.0000000E+00 0 82 12 7 0.0000000E+00 0 85 12 8 0.0000000E+00 0 87 12 9 0.0000000E+00 0 89 12 10 0.0000000E+00 0 90 12 11 0.0000000E+00 0 91 12 12 0.0000000E+00 1 43 0 0 0.6470958E+00 1 31 2 -2 0.3138135E-02 1 37 2 -1 0.5491189E-01 1 44 2 0 0.2289174E+00 1 50 2 1 0.5491189E-01 1 56 2 2 0.3138135E-02 1 21 4 -4 0.3861630E-05 1 26 4 -3 0.1794551E-05 1 32 4 -2 0.9473582E-05 1 38 4 -1 0.2732560E-03 1 45 4 0 0.2232680E-02 1 51 4 1 0.2732560E-03 1 57 4 2 0.9473584E-05 1 62 4 3 0.1794552E-05 1 67 4 4 0.3861630E-05 1 13 6 -6 0.0000000E+00 1 17 6 -5 0.0000000E+00 1 22 6 -4 0.0000000E+00 1 27 6 -3 0.0000000E+00 1 33 6 -2 0.0000000E+00 1 39 6 -1 0.0000000E+00 1 46 6 0 0.0000000E+00 1 52 6 1 0.0000000E+00 1 58 6 2 0.0000000E+00 1 63 6 3 0.0000000E+00 1 68 6 4 0.0000000E+00 1 72 6 5 0.0000000E+00 1 76 6 6 0.0000000E+00 1 7 8 -8 0.0000000E+00 1 10 8 -7 0.0000000E+00 1 14 8 -6 0.0000000E+00 1 18 8 -5 0.0000000E+00 1 23 8 -4 0.0000000E+00 1 28 8 -3 0.0000000E+00 1 34 8 -2 0.0000000E+00 1 40 8 -1 0.0000000E+00 1 47 8 0 0.0000000E+00 1 53 8 1 0.0000000E+00 1 59 8 2 0.0000000E+00 1 64 8 3 0.0000000E+00 1 69 8 4 0.0000000E+00 1 73 8 5 0.0000000E+00 1 77 8 6 0.0000000E+00 1 80 8 7 0.0000000E+00 1 83 8 8 0.0000000E+00 1 3 10 -10 0.0000000E+00 1 5 10 -9 0.0000000E+00 1 8 10 -8 0.0000000E+00 1 11 10 -7 0.0000000E+00 1 15 10 -6 0.0000000E+00 1 19 10 -5 0.0000000E+00 1 24 10 -4 0.0000000E+00 1 29 10 -3 0.0000000E+00 1 35 10 -2 0.0000000E+00 1 41 10 -1 0.0000000E+00 1 48 10 0 0.0000000E+00 1 54 10 1 0.0000000E+00 1 60 10 2 0.0000000E+00 1 65 10 3 0.0000000E+00 1 70 10 4 0.0000000E+00 1 74 10 5 0.0000000E+00 1 78 10 6 0.0000000E+00 1 81 10 7 0.0000000E+00 1 84 10 8 0.0000000E+00 1 86 10 9 0.0000000E+00 1 88 10 10 0.0000000E+00 1 1 12 -12 0.0000000E+00 1 2 12 -11 0.0000000E+00 1 4 12 -10 0.0000000E+00 1 6 12 -9 0.0000000E+00 1 9 12 -8 0.0000000E+00 1 12 12 -7 0.0000000E+00 1 16 12 -6 0.0000000E+00 1 20 12 -5 0.0000000E+00 1 25 12 -4 0.0000000E+00 1 30 12 -3 0.0000000E+00 1 36 12 -2 0.0000000E+00 1 42 12 -1 0.0000000E+00 1 49 12 0 0.0000000E+00 1 55 12 1 0.0000000E+00 1 61 12 2 0.0000000E+00 1 66 12 3 0.0000000E+00 1 71 12 4 0.0000000E+00 1 75 12 5 0.0000000E+00 1 79 12 6 0.0000000E+00 1 82 12 7 0.0000000E+00 1 85 12 8 0.0000000E+00 1 87 12 9 0.0000000E+00 1 89 12 10 0.0000000E+00 1 90 12 11 0.0000000E+00 1 91 12 12 0.0000000E+00 2 43 0 0 0.0000000E+00 2 31 2 -2 0.0000000E+00 2 37 2 -1 0.0000000E+00 2 44 2 0 0.0000000E+00 2 50 2 1 0.0000000E+00 2 56 2 2 0.0000000E+00 2 21 4 -4 0.0000000E+00 2 26 4 -3 0.0000000E+00 2 32 4 -2 0.0000000E+00 2 38 4 -1 0.0000000E+00 2 45 4 0 0.0000000E+00 2 51 4 1 0.0000000E+00 2 57 4 2 0.0000000E+00 2 62 4 3 0.0000000E+00 2 67 4 4 0.0000000E+00 2 13 6 -6 0.0000000E+00 2 17 6 -5 0.0000000E+00 2 22 6 -4 0.0000000E+00 2 27 6 -3 0.0000000E+00 2 33 6 -2 0.0000000E+00 2 39 6 -1 0.0000000E+00 2 46 6 0 0.0000000E+00 2 52 6 1 0.0000000E+00 2 58 6 2 0.0000000E+00 2 63 6 3 0.0000000E+00 2 68 6 4 0.0000000E+00 2 72 6 5 0.0000000E+00 2 76 6 6 0.0000000E+00 2 7 8 -8 0.0000000E+00 2 10 8 -7 0.0000000E+00 2 14 8 -6 0.0000000E+00 2 18 8 -5 0.0000000E+00 2 23 8 -4 0.0000000E+00 2 28 8 -3 0.0000000E+00 2 34 8 -2 0.0000000E+00 2 40 8 -1 0.0000000E+00 2 47 8 0 0.0000000E+00 2 53 8 1 0.0000000E+00 2 59 8 2 0.0000000E+00 2 64 8 3 0.0000000E+00 2 69 8 4 0.0000000E+00 2 73 8 5 0.0000000E+00 2 77 8 6 0.0000000E+00 2 80 8 7 0.0000000E+00 2 83 8 8 0.0000000E+00 2 3 10 -10 0.0000000E+00 2 5 10 -9 0.0000000E+00 2 8 10 -8 0.0000000E+00 2 11 10 -7 0.0000000E+00 2 15 10 -6 0.0000000E+00 2 19 10 -5 0.0000000E+00 2 24 10 -4 0.0000000E+00 2 29 10 -3 0.0000000E+00 2 35 10 -2 0.0000000E+00 2 41 10 -1 0.0000000E+00 2 48 10 0 0.0000000E+00 2 54 10 1 0.0000000E+00 2 60 10 2 0.0000000E+00 2 65 10 3 0.0000000E+00 2 70 10 4 0.0000000E+00 2 74 10 5 0.0000000E+00 2 78 10 6 0.0000000E+00 2 81 10 7 0.0000000E+00 2 84 10 8 0.0000000E+00 2 86 10 9 0.0000000E+00 2 88 10 10 0.0000000E+00 2 1 12 -12 0.0000000E+00 2 2 12 -11 0.0000000E+00 2 4 12 -10 0.0000000E+00 2 6 12 -9 0.0000000E+00 2 9 12 -8 0.0000000E+00 2 12 12 -7 0.0000000E+00 2 16 12 -6 0.0000000E+00 2 20 12 -5 0.0000000E+00 2 25 12 -4 0.0000000E+00 2 30 12 -3 0.0000000E+00 2 36 12 -2 0.0000000E+00 2 42 12 -1 0.0000000E+00 2 49 12 0 0.0000000E+00 2 55 12 1 0.0000000E+00 2 61 12 2 0.0000000E+00 2 66 12 3 0.0000000E+00 2 71 12 4 0.0000000E+00 2 75 12 5 0.0000000E+00 2 79 12 6 0.0000000E+00 2 82 12 7 0.0000000E+00 2 85 12 8 0.0000000E+00 2 87 12 9 0.0000000E+00 2 89 12 10 0.0000000E+00 2 90 12 11 0.0000000E+00 2 91 12 12 0.0000000E+00 ************************************ probabilities as function of diffraction order ************************************ v, j, mj = 0 0 0 0 0.1130572E-03 1 0.3608990E-03 2 0.1602542E-03 3 0.2128963E-04 4 0.1308886E-05 5 0.1274627E-06 6 0.3620671E-07 7 0.1940320E-07 8 0.2118781E-08 9 0.2690065E-09 v, j, mj = 0 2 -2 0 0.1437708E-12 1 0.8689850E-06 2 0.5588339E-05 3 0.4170298E-05 4 0.7508857E-06 5 0.8233089E-07 6 0.4382279E-07 7 0.8405797E-08 8 0.5864463E-08 9 0.7758847E-09 v, j, mj = 0 2 -1 0 0.2581576E-15 1 0.4227386E-04 2 0.7794937E-04 3 0.2474010E-04 4 0.2071289E-05 5 0.2446997E-06 6 0.4584531E-07 7 0.1302558E-07 8 0.2753428E-08 9 0.2019799E-08 v, j, mj = 0 2 0 0 0.9657362E-04 1 0.3469314E-03 2 0.2170132E-03 3 0.4329178E-04 4 0.2948216E-05 5 0.9374584E-07 6 0.3321865E-07 7 0.1707487E-07 8 0.3169355E-08 9 0.3989629E-09 v, j, mj = 0 2 1 0 0.1496401E-15 1 0.4227386E-04 2 0.7794938E-04 3 0.2474010E-04 4 0.2071296E-05 5 0.2447031E-06 6 0.4584284E-07 7 0.1302589E-07 8 0.2753588E-08 9 0.2019794E-08 v, j, mj = 0 2 2 0 0.1493027E-12 1 0.8689751E-06 2 0.5588338E-05 3 0.4170288E-05 4 0.7508844E-06 5 0.8232591E-07 6 0.4382351E-07 7 0.8405955E-08 8 0.5864494E-08 9 0.7758838E-09 v, j, mj = 0 4 -4 0 0.8371822E-13 1 0.7533835E-08 2 0.3712452E-07 3 0.8960673E-07 4 0.7968189E-07 5 0.3737420E-07 6 0.1136344E-07 7 0.6248451E-08 8 0.3584520E-08 9 0.8900416E-09 v, j, mj = 0 4 -3 0 0.1390311E-08 1 0.8306374E-08 2 0.1220919E-06 3 0.1701704E-06 4 0.7120001E-07 5 0.3642345E-07 6 0.3429850E-07 7 0.1439657E-07 8 0.3398869E-08 9 0.5117919E-09 v, j, mj = 0 4 -2 0 0.6400693E-14 1 0.6117088E-06 2 0.3010308E-05 3 0.2866613E-05 4 0.3005584E-06 5 0.5880869E-07 6 0.9828979E-08 7 0.5284295E-08 8 0.1287505E-08 9 0.2296085E-09 v, j, mj = 0 4 -1 0 0.3948492E-15 1 0.8632596E-04 2 0.1652073E-03 3 0.5692490E-04 4 0.5714917E-05 5 0.1470292E-06 6 0.4613330E-07 7 0.1485419E-07 8 0.3550409E-08 9 0.4947817E-09 v, j, mj = 0 4 0 0 0.3499992E-03 1 0.1309411E-02 2 0.7977871E-03 3 0.1568146E-03 4 0.1022843E-04 5 0.2761108E-06 6 0.1652004E-07 7 0.4866000E-08 8 0.1618950E-08 9 0.2385854E-09 v, j, mj = 0 4 1 0 0.1148048E-15 1 0.8632596E-04 2 0.1652073E-03 3 0.5692489E-04 4 0.5714916E-05 5 0.1470398E-06 6 0.4613064E-07 7 0.1485423E-07 8 0.3550405E-08 9 0.4947814E-09 v, j, mj = 0 4 2 0 0.6033992E-14 1 0.6117059E-06 2 0.3010305E-05 3 0.2866612E-05 4 0.3005657E-06 5 0.5880619E-07 6 0.9828474E-08 7 0.5284341E-08 8 0.1287504E-08 9 0.2296081E-09 v, j, mj = 0 4 3 0 0.1389969E-08 1 0.8299497E-08 2 0.1220914E-06 3 0.1701704E-06 4 0.7119085E-07 5 0.3642500E-07 6 0.3429888E-07 7 0.1439650E-07 8 0.3398866E-08 9 0.5117919E-09 v, j, mj = 0 4 4 0 0.6107126E-13 1 0.7536502E-08 2 0.3712374E-07 3 0.8961728E-07 4 0.7968168E-07 5 0.3737917E-07 6 0.1136307E-07 7 0.6248491E-08 8 0.3584517E-08 9 0.8900415E-09 v, j, mj = 0 6 -6 0 0.3627007E-07 1 0.2353274E-07 2 0.3114190E-07 3 0.5774272E-07 4 0.2413000E-07 5 0.1484287E-07 6 0.8096895E-08 7 0.1819024E-08 8 0.4356465E-09 9 0.0000000E+00 v, j, mj = 0 6 -5 0 0.2165961E-14 1 0.1917902E-08 2 0.2362730E-07 3 0.7359774E-07 4 0.2599715E-07 5 0.2012818E-07 6 0.1737815E-07 7 0.4796949E-08 8 0.2362540E-08 9 0.0000000E+00 v, j, mj = 0 6 -4 0 0.6936223E-14 1 0.1299493E-07 2 0.6419586E-07 3 0.3264870E-07 4 0.2027118E-07 5 0.2113143E-07 6 0.4864912E-08 7 0.4149171E-08 8 0.1851325E-08 9 0.0000000E+00 v, j, mj = 0 6 -3 0 0.6257948E-08 1 0.4069679E-07 2 0.2987393E-06 3 0.6843457E-07 4 0.6424350E-07 5 0.2487331E-07 6 0.6804340E-08 7 0.2323672E-08 8 0.3293232E-09 9 0.0000000E+00 v, j, mj = 0 6 -2 0 0.2406643E-13 1 0.2136101E-05 2 0.3583561E-05 3 0.1524342E-05 4 0.2117962E-06 5 0.3476476E-07 6 0.7864550E-08 7 0.6625688E-08 8 0.5205376E-09 9 0.0000000E+00 v, j, mj = 0 6 -1 0 0.7322308E-15 1 0.5386402E-04 2 0.5077502E-04 3 0.1650800E-04 4 0.1572619E-05 5 0.8422626E-07 6 0.6415812E-08 7 0.1521122E-08 8 0.2702849E-09 9 0.0000000E+00 v, j, mj = 0 6 0 0 0.1411239E-03 1 0.4644369E-03 2 0.1879052E-03 3 0.3591088E-04 4 0.2458080E-05 5 0.1037515E-06 6 0.8327052E-08 7 0.7999402E-08 8 0.4734053E-09 9 0.0000000E+00 v, j, mj = 0 6 1 0 0.1811274E-15 1 0.5386402E-04 2 0.5077502E-04 3 0.1650800E-04 4 0.1572616E-05 5 0.8422636E-07 6 0.6415928E-08 7 0.1521126E-08 8 0.2702847E-09 9 0.0000000E+00 v, j, mj = 0 6 2 0 0.1947370E-13 1 0.2136094E-05 2 0.3583560E-05 3 0.1524344E-05 4 0.2118001E-06 5 0.3476470E-07 6 0.7864603E-08 7 0.6625691E-08 8 0.5205373E-09 9 0.0000000E+00 v, j, mj = 0 6 3 0 0.6251976E-08 1 0.4067325E-07 2 0.2987481E-06 3 0.6843619E-07 4 0.6424328E-07 5 0.2487354E-07 6 0.6804360E-08 7 0.2323677E-08 8 0.3293237E-09 9 0.0000000E+00 v, j, mj = 0 6 4 0 0.7873588E-14 1 0.1299372E-07 2 0.6421013E-07 3 0.3265637E-07 4 0.2027724E-07 5 0.2113314E-07 6 0.4864849E-08 7 0.4149172E-08 8 0.1851325E-08 9 0.0000000E+00 v, j, mj = 0 6 5 0 0.3384070E-14 1 0.1918690E-08 2 0.2361185E-07 3 0.7357814E-07 4 0.2599547E-07 5 0.2012807E-07 6 0.1737825E-07 7 0.4796948E-08 8 0.2362540E-08 9 0.0000000E+00 v, j, mj = 0 6 6 0 0.3627031E-07 1 0.2353542E-07 2 0.3114758E-07 3 0.5775612E-07 4 0.2412982E-07 5 0.1484318E-07 6 0.8096905E-08 7 0.1819022E-08 8 0.4356463E-09 9 0.0000000E+00 v, j, mj = 0 8 -8 0 0.9483720E-15 1 0.8333587E-10 2 0.3839947E-09 3 0.6400155E-09 4 0.6704344E-09 5 0.1695189E-08 6 0.5803909E-11 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -7 0 0.4700646E-15 1 0.3170786E-08 2 0.7575268E-09 3 0.4501147E-09 4 0.1831369E-08 5 0.7366173E-08 6 0.2501819E-10 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -6 0 0.1199628E-08 1 0.7892077E-09 2 0.2669028E-08 3 0.1613179E-08 4 0.3824272E-08 5 0.7204186E-08 6 0.1584322E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -5 0 0.4690932E-16 1 0.1926083E-08 2 0.1262153E-07 3 0.1507764E-07 4 0.7722794E-08 5 0.2031176E-07 6 0.2738989E-10 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -4 0 0.5030662E-16 1 0.4786426E-06 2 0.1759560E-06 3 0.3977262E-07 4 0.9205554E-08 5 0.8908146E-08 6 0.2961799E-10 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -3 0 0.5325050E-08 1 0.1006582E-04 2 0.1373343E-05 3 0.1722498E-06 4 0.1342519E-07 5 0.7212601E-08 6 0.2397281E-10 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -2 0 0.4437023E-15 1 0.1230179E-06 2 0.1092008E-06 3 0.6353425E-07 4 0.7516997E-08 5 0.9572863E-08 6 0.1683488E-10 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -1 0 0.7125343E-16 1 0.1079673E-05 2 0.5645627E-06 3 0.3468845E-07 4 0.2055720E-07 5 0.7901281E-08 6 0.8204172E-10 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 0 0 0.1598704E-05 1 0.1430307E-05 2 0.6581403E-06 3 0.1072691E-06 4 0.2626436E-07 5 0.8879574E-08 6 0.1839181E-10 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 1 0 0.4694932E-16 1 0.1079673E-05 2 0.5645628E-06 3 0.3468832E-07 4 0.2055719E-07 5 0.7901265E-08 6 0.8204171E-10 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 2 0 0.1784360E-15 1 0.1230177E-06 2 0.1092006E-06 3 0.6353416E-07 4 0.7517030E-08 5 0.9572861E-08 6 0.1683489E-10 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 3 0 0.5326449E-08 1 0.1006582E-04 2 0.1373343E-05 3 0.1722498E-06 4 0.1342514E-07 5 0.7212600E-08 6 0.2397281E-10 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 4 0 0.1659393E-15 1 0.4786427E-06 2 0.1759560E-06 3 0.3977242E-07 4 0.9205601E-08 5 0.8908143E-08 6 0.2961798E-10 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 5 0 0.5068099E-16 1 0.1926118E-08 2 0.1262164E-07 3 0.1507795E-07 4 0.7722799E-08 5 0.2031176E-07 6 0.2738989E-10 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 6 0 0.1199627E-08 1 0.7891886E-09 2 0.2668819E-08 3 0.1613189E-08 4 0.3824295E-08 5 0.7204190E-08 6 0.1584322E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 7 0 0.4722991E-15 1 0.3170774E-08 2 0.7573808E-09 3 0.4501749E-09 4 0.1831391E-08 5 0.7366173E-08 6 0.2501823E-10 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 8 0 0.7704779E-15 1 0.8340020E-10 2 0.3841313E-09 3 0.6400765E-09 4 0.6704217E-09 5 0.1695187E-08 6 0.5803897E-11 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 0 0 0 0.3033546E+00 1 0.6907764E-01 2 0.2425285E+00 3 0.3167397E-01 4 0.4607439E-03 5 0.3800973E-06 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 2 -2 0 0.1126545E-13 1 0.1864006E-02 2 0.1199439E-02 3 0.7383609E-04 4 0.8244263E-06 5 0.2916970E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 2 -1 0 0.8515756E-16 1 0.4033887E-01 2 0.1374133E-01 3 0.8252460E-03 4 0.6429656E-05 5 0.9651280E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 2 0 0 0.1372410E+00 1 0.3082419E-01 2 0.4969673E-01 3 0.1099740E-01 4 0.1579711E-03 5 0.6761754E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 2 1 0 0.1304141E-15 1 0.4033887E-01 2 0.1374133E-01 3 0.8252460E-03 4 0.6429656E-05 5 0.9651277E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 2 2 0 0.1208948E-13 1 0.1864006E-02 2 0.1199439E-02 3 0.7383610E-04 4 0.8244267E-06 5 0.2916971E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 -4 0 0.4169087E-18 1 0.1278119E-05 2 0.2523577E-05 3 0.5993342E-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 4 -3 0 0.4894030E-08 1 0.1475256E-05 2 0.1240815E-06 3 0.1903195E-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 = 1 4 -2 0 0.5888954E-16 1 0.4823158E-05 2 0.4450681E-05 3 0.1997436E-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 = 1 4 -1 0 0.2665319E-17 1 0.2355928E-03 2 0.3704010E-04 3 0.6230399E-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 = 1 4 0 0 0.1000565E-02 1 0.1098341E-02 2 0.1305990E-03 3 0.3174841E-05 4 0.0000000E+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 0.5431343E-17 1 0.2355928E-03 2 0.3704010E-04 3 0.6230398E-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 = 1 4 2 0 0.5421308E-16 1 0.4823159E-05 2 0.4450681E-05 3 0.1997436E-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 = 1 4 3 0 0.4894125E-08 1 0.1475256E-05 2 0.1240816E-06 3 0.1903195E-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 = 1 4 4 0 0.9089638E-18 1 0.1278119E-05 2 0.2523577E-05 3 0.5993342E-07 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 sum of the probabilities = 1.0010002 average vibrational energy (ev) = 0.506337 average rotational energy (ev) = 0.016169 average diffraction energy (ev) = 0.013269 the reaction probability = -0.1000229D-02 $$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$ total energy = -0.41128449D+01 trans energy = 0.26428571D+00 trans energy in z = 0.26428571D+00 total momentum = 0.84480953D+01 $$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$ ************************************ rotation-diffraction summed probabilities ************************************ v probability av edif av erot 0 0.4171642E-01 0.2360070E-01 0.9620657E-01 1 0.9569181E+00 0.2182891E-01 0.2097314E-01 2 0.0000000E+00 0.0000000E+00 0.0000000E+00 ************************************ diffraction summed probabilities ************************************ v irot j m probability 0 43 0 0 0.7701479E-02 0 31 2 -2 0.1774288E-03 0 37 2 -1 0.1604065E-02 0 44 2 0 0.9990885E-02 0 50 2 1 0.1604065E-02 0 56 2 2 0.1774281E-03 0 21 4 -4 0.4684668E-05 0 26 4 -3 0.1980434E-04 0 32 4 -2 0.5005083E-04 0 38 4 -1 0.1247145E-02 0 45 4 0 0.1462054E-01 0 51 4 1 0.1247145E-02 0 57 4 2 0.5005063E-04 0 62 4 3 0.1980426E-04 0 67 4 4 0.4684667E-05 0 13 6 -6 0.2740040E-06 0 17 6 -5 0.3965846E-06 0 22 6 -4 0.1804620E-05 0 27 6 -3 0.1352382E-04 0 33 6 -2 0.5056546E-04 0 39 6 -1 0.1956078E-03 0 46 6 0 0.2578613E-02 0 52 6 1 0.1956078E-03 0 58 6 2 0.5056538E-04 0 63 6 3 0.1352373E-04 0 68 6 4 0.1804645E-05 0 72 6 5 0.3965949E-06 0 76 6 6 0.2740639E-06 0 7 8 -8 0.2373047E-07 0 10 8 -7 0.4002051E-07 0 14 8 -6 0.5558352E-07 0 18 8 -5 0.1098568E-06 0 23 8 -4 0.1093123E-05 0 28 8 -3 0.1395469E-04 0 34 8 -2 0.4378582E-05 0 40 8 -1 0.1281089E-04 0 47 8 0 0.2923072E-04 0 53 8 1 0.1281088E-04 0 59 8 2 0.4378577E-05 0 64 8 3 0.1395469E-04 0 69 8 4 0.1093126E-05 0 73 8 5 0.1098496E-06 0 77 8 6 0.5558383E-07 0 80 8 7 0.4001816E-07 0 83 8 8 0.2371946E-07 0 3 10 -10 0.1715151E-11 0 5 10 -9 0.5038664E-11 0 8 10 -8 0.1423769E-10 0 11 10 -7 0.1960127E-09 0 15 10 -6 0.4001611E-09 0 19 10 -5 0.1213537E-09 0 24 10 -4 0.8777007E-09 0 29 10 -3 0.2304911E-08 0 35 10 -2 0.3841526E-08 0 41 10 -1 0.1118421E-07 0 48 10 0 0.4318033E-08 0 54 10 1 0.1118419E-07 0 60 10 2 0.3841520E-08 0 65 10 3 0.2304906E-08 0 70 10 4 0.8776963E-09 0 74 10 5 0.1213556E-09 0 78 10 6 0.4001553E-09 0 81 10 7 0.1960095E-09 0 84 10 8 0.1423814E-10 0 86 10 9 0.5038752E-11 0 88 10 10 0.1715154E-11 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 0.5272822E+00 1 31 2 -2 0.1921121E-01 1 37 2 -1 0.7736237E-01 1 44 2 0 0.2216784E+00 1 50 2 1 0.7736237E-01 1 56 2 2 0.1921121E-01 1 21 4 -4 0.3051693E-05 1 26 4 -3 0.1190922E-04 1 32 4 -2 0.3347219E-03 1 38 4 -1 0.3749463E-02 1 45 4 0 0.6612073E-02 1 51 4 1 0.3749463E-02 1 57 4 2 0.3347218E-03 1 62 4 3 0.1190923E-04 1 67 4 4 0.3051696E-05 1 13 6 -6 0.0000000E+00 1 17 6 -5 0.0000000E+00 1 22 6 -4 0.0000000E+00 1 27 6 -3 0.0000000E+00 1 33 6 -2 0.0000000E+00 1 39 6 -1 0.0000000E+00 1 46 6 0 0.0000000E+00 1 52 6 1 0.0000000E+00 1 58 6 2 0.0000000E+00 1 63 6 3 0.0000000E+00 1 68 6 4 0.0000000E+00 1 72 6 5 0.0000000E+00 1 76 6 6 0.0000000E+00 1 7 8 -8 0.0000000E+00 1 10 8 -7 0.0000000E+00 1 14 8 -6 0.0000000E+00 1 18 8 -5 0.0000000E+00 1 23 8 -4 0.0000000E+00 1 28 8 -3 0.0000000E+00 1 34 8 -2 0.0000000E+00 1 40 8 -1 0.0000000E+00 1 47 8 0 0.0000000E+00 1 53 8 1 0.0000000E+00 1 59 8 2 0.0000000E+00 1 64 8 3 0.0000000E+00 1 69 8 4 0.0000000E+00 1 73 8 5 0.0000000E+00 1 77 8 6 0.0000000E+00 1 80 8 7 0.0000000E+00 1 83 8 8 0.0000000E+00 1 3 10 -10 0.0000000E+00 1 5 10 -9 0.0000000E+00 1 8 10 -8 0.0000000E+00 1 11 10 -7 0.0000000E+00 1 15 10 -6 0.0000000E+00 1 19 10 -5 0.0000000E+00 1 24 10 -4 0.0000000E+00 1 29 10 -3 0.0000000E+00 1 35 10 -2 0.0000000E+00 1 41 10 -1 0.0000000E+00 1 48 10 0 0.0000000E+00 1 54 10 1 0.0000000E+00 1 60 10 2 0.0000000E+00 1 65 10 3 0.0000000E+00 1 70 10 4 0.0000000E+00 1 74 10 5 0.0000000E+00 1 78 10 6 0.0000000E+00 1 81 10 7 0.0000000E+00 1 84 10 8 0.0000000E+00 1 86 10 9 0.0000000E+00 1 88 10 10 0.0000000E+00 1 1 12 -12 0.0000000E+00 1 2 12 -11 0.0000000E+00 1 4 12 -10 0.0000000E+00 1 6 12 -9 0.0000000E+00 1 9 12 -8 0.0000000E+00 1 12 12 -7 0.0000000E+00 1 16 12 -6 0.0000000E+00 1 20 12 -5 0.0000000E+00 1 25 12 -4 0.0000000E+00 1 30 12 -3 0.0000000E+00 1 36 12 -2 0.0000000E+00 1 42 12 -1 0.0000000E+00 1 49 12 0 0.0000000E+00 1 55 12 1 0.0000000E+00 1 61 12 2 0.0000000E+00 1 66 12 3 0.0000000E+00 1 71 12 4 0.0000000E+00 1 75 12 5 0.0000000E+00 1 79 12 6 0.0000000E+00 1 82 12 7 0.0000000E+00 1 85 12 8 0.0000000E+00 1 87 12 9 0.0000000E+00 1 89 12 10 0.0000000E+00 1 90 12 11 0.0000000E+00 1 91 12 12 0.0000000E+00 2 43 0 0 0.0000000E+00 2 31 2 -2 0.0000000E+00 2 37 2 -1 0.0000000E+00 2 44 2 0 0.0000000E+00 2 50 2 1 0.0000000E+00 2 56 2 2 0.0000000E+00 2 21 4 -4 0.0000000E+00 2 26 4 -3 0.0000000E+00 2 32 4 -2 0.0000000E+00 2 38 4 -1 0.0000000E+00 2 45 4 0 0.0000000E+00 2 51 4 1 0.0000000E+00 2 57 4 2 0.0000000E+00 2 62 4 3 0.0000000E+00 2 67 4 4 0.0000000E+00 2 13 6 -6 0.0000000E+00 2 17 6 -5 0.0000000E+00 2 22 6 -4 0.0000000E+00 2 27 6 -3 0.0000000E+00 2 33 6 -2 0.0000000E+00 2 39 6 -1 0.0000000E+00 2 46 6 0 0.0000000E+00 2 52 6 1 0.0000000E+00 2 58 6 2 0.0000000E+00 2 63 6 3 0.0000000E+00 2 68 6 4 0.0000000E+00 2 72 6 5 0.0000000E+00 2 76 6 6 0.0000000E+00 2 7 8 -8 0.0000000E+00 2 10 8 -7 0.0000000E+00 2 14 8 -6 0.0000000E+00 2 18 8 -5 0.0000000E+00 2 23 8 -4 0.0000000E+00 2 28 8 -3 0.0000000E+00 2 34 8 -2 0.0000000E+00 2 40 8 -1 0.0000000E+00 2 47 8 0 0.0000000E+00 2 53 8 1 0.0000000E+00 2 59 8 2 0.0000000E+00 2 64 8 3 0.0000000E+00 2 69 8 4 0.0000000E+00 2 73 8 5 0.0000000E+00 2 77 8 6 0.0000000E+00 2 80 8 7 0.0000000E+00 2 83 8 8 0.0000000E+00 2 3 10 -10 0.0000000E+00 2 5 10 -9 0.0000000E+00 2 8 10 -8 0.0000000E+00 2 11 10 -7 0.0000000E+00 2 15 10 -6 0.0000000E+00 2 19 10 -5 0.0000000E+00 2 24 10 -4 0.0000000E+00 2 29 10 -3 0.0000000E+00 2 35 10 -2 0.0000000E+00 2 41 10 -1 0.0000000E+00 2 48 10 0 0.0000000E+00 2 54 10 1 0.0000000E+00 2 60 10 2 0.0000000E+00 2 65 10 3 0.0000000E+00 2 70 10 4 0.0000000E+00 2 74 10 5 0.0000000E+00 2 78 10 6 0.0000000E+00 2 81 10 7 0.0000000E+00 2 84 10 8 0.0000000E+00 2 86 10 9 0.0000000E+00 2 88 10 10 0.0000000E+00 2 1 12 -12 0.0000000E+00 2 2 12 -11 0.0000000E+00 2 4 12 -10 0.0000000E+00 2 6 12 -9 0.0000000E+00 2 9 12 -8 0.0000000E+00 2 12 12 -7 0.0000000E+00 2 16 12 -6 0.0000000E+00 2 20 12 -5 0.0000000E+00 2 25 12 -4 0.0000000E+00 2 30 12 -3 0.0000000E+00 2 36 12 -2 0.0000000E+00 2 42 12 -1 0.0000000E+00 2 49 12 0 0.0000000E+00 2 55 12 1 0.0000000E+00 2 61 12 2 0.0000000E+00 2 66 12 3 0.0000000E+00 2 71 12 4 0.0000000E+00 2 75 12 5 0.0000000E+00 2 79 12 6 0.0000000E+00 2 82 12 7 0.0000000E+00 2 85 12 8 0.0000000E+00 2 87 12 9 0.0000000E+00 2 89 12 10 0.0000000E+00 2 90 12 11 0.0000000E+00 2 91 12 12 0.0000000E+00 ************************************ probabilities as function of diffraction order ************************************ v, j, mj = 0 0 0 0 0.9482335E-03 1 0.3643298E-02 2 0.2430752E-02 3 0.6267773E-03 4 0.5084581E-04 5 0.1477594E-05 6 0.6253496E-07 7 0.2102512E-07 8 0.9155076E-08 9 0.2296019E-08 v, j, mj = 0 2 -2 0 0.4019149E-11 1 0.1158788E-04 2 0.6968958E-04 3 0.7133466E-04 4 0.2293525E-04 5 0.1742117E-05 6 0.1008653E-06 7 0.1983888E-07 8 0.1513650E-07 9 0.3492039E-08 v, j, mj = 0 2 -1 0 0.4877496E-14 1 0.3059501E-03 2 0.7188573E-03 3 0.4856858E-03 4 0.8842648E-04 5 0.4906369E-05 6 0.1964182E-06 7 0.3288304E-07 8 0.9085376E-08 9 0.1141319E-08 v, j, mj = 0 2 0 0 0.1394730E-02 1 0.4825767E-02 2 0.2884548E-02 3 0.7814940E-03 4 0.9881247E-04 5 0.5330999E-05 6 0.1759116E-06 7 0.1894401E-07 8 0.6247433E-08 9 0.1745698E-08 v, j, mj = 0 2 1 0 0.1609771E-13 1 0.3059501E-03 2 0.7188573E-03 3 0.4856857E-03 4 0.8842645E-04 5 0.4906397E-05 6 0.1964189E-06 7 0.3287553E-07 8 0.9084683E-08 9 0.1141393E-08 v, j, mj = 0 2 2 0 0.3881119E-11 1 0.1158764E-04 2 0.6968932E-04 3 0.7133451E-04 4 0.2293523E-04 5 0.1742108E-05 6 0.1008677E-06 7 0.1983847E-07 8 0.1513620E-07 9 0.3492056E-08 v, j, mj = 0 4 -4 0 0.8409249E-12 1 0.2699851E-07 2 0.4761745E-06 3 0.2132306E-05 4 0.1471864E-05 5 0.5008324E-06 6 0.6099661E-07 7 0.1172733E-07 8 0.2506962E-08 9 0.1260742E-08 v, j, mj = 0 4 -3 0 0.6928780E-08 1 0.2703961E-06 2 0.5493583E-05 3 0.9629195E-05 4 0.3920442E-05 5 0.4434264E-06 6 0.2592073E-07 7 0.8739076E-08 8 0.4113702E-08 9 0.1599957E-08 v, j, mj = 0 4 -2 0 0.4162315E-12 1 0.1765552E-06 2 0.7117535E-05 3 0.2599118E-04 4 0.1535552E-04 5 0.1369446E-05 6 0.3186360E-07 7 0.5093071E-08 8 0.3045939E-08 9 0.5909444E-09 v, j, mj = 0 4 -1 0 0.7948187E-14 1 0.1559820E-03 2 0.5117998E-03 3 0.4558542E-03 4 0.1157681E-03 5 0.7577746E-05 6 0.1354053E-06 7 0.2216091E-07 8 0.4353362E-08 9 0.1656392E-08 v, j, mj = 0 4 0 0 0.1464622E-02 1 0.6048461E-02 2 0.5134082E-02 3 0.1710175E-02 4 0.2509269E-03 5 0.1210600E-04 6 0.1496539E-06 7 0.1014401E-07 8 0.2078201E-08 9 0.6614972E-09 v, j, mj = 0 4 1 0 0.9493616E-14 1 0.1559821E-03 2 0.5117998E-03 3 0.4558541E-03 4 0.1157680E-03 5 0.7577755E-05 6 0.1353996E-06 7 0.2216017E-07 8 0.4353345E-08 9 0.1656397E-08 v, j, mj = 0 4 2 0 0.3852437E-12 1 0.1764772E-06 2 0.7117442E-05 3 0.2599117E-04 4 0.1535551E-04 5 0.1369443E-05 6 0.3185975E-07 7 0.5092460E-08 8 0.3046067E-08 9 0.5909421E-09 v, j, mj = 0 4 3 0 0.6925797E-08 1 0.2703573E-06 2 0.5493569E-05 3 0.9629173E-05 4 0.3920432E-05 5 0.4434239E-06 6 0.2592804E-07 7 0.8740244E-08 8 0.4113784E-08 9 0.1599957E-08 v, j, mj = 0 4 4 0 0.6366961E-12 1 0.2698164E-07 2 0.4761228E-06 3 0.2132341E-05 4 0.1471877E-05 5 0.5008437E-06 6 0.6100556E-07 7 0.1172742E-07 8 0.2507025E-08 9 0.1260740E-08 v, j, mj = 0 6 -6 0 0.1134062E-07 1 0.5850426E-07 2 0.3318391E-07 3 0.7873404E-07 4 0.4796106E-07 5 0.3832550E-07 6 0.3215242E-08 7 0.1596293E-08 8 0.1143075E-08 9 0.0000000E+00 v, j, mj = 0 6 -5 0 0.6085108E-14 1 0.3158419E-07 2 0.5857783E-07 3 0.1529910E-06 4 0.1000865E-06 5 0.2997408E-07 6 0.1353502E-07 7 0.6164359E-08 8 0.3671603E-08 9 0.0000000E+00 v, j, mj = 0 6 -4 0 0.3943616E-13 1 0.4931405E-07 2 0.6080499E-06 3 0.9496587E-06 4 0.1434113E-06 5 0.4100558E-07 6 0.7825400E-08 7 0.2460040E-08 8 0.2894516E-08 9 0.0000000E+00 v, j, mj = 0 6 -3 0 0.1473505E-07 1 0.5792194E-06 2 0.8131366E-05 3 0.3934942E-05 4 0.7914948E-06 5 0.5865681E-07 6 0.6654653E-08 7 0.5536683E-08 8 0.1217065E-08 9 0.0000000E+00 v, j, mj = 0 6 -2 0 0.2922505E-12 1 0.1605591E-04 2 0.3063462E-04 3 0.2312345E-05 4 0.1305378E-05 5 0.2439584E-06 6 0.7018442E-08 7 0.2599319E-08 8 0.3625199E-08 9 0.0000000E+00 v, j, mj = 0 6 -1 0 0.3317968E-14 1 0.1135701E-03 2 0.3233671E-04 3 0.3244447E-04 4 0.1622950E-04 5 0.1014758E-05 6 0.7058441E-08 7 0.3939403E-08 8 0.1261152E-08 9 0.0000000E+00 v, j, mj = 0 6 0 0 0.3898113E-03 1 0.1172786E-02 2 0.7363806E-03 3 0.2375552E-03 4 0.3998303E-04 5 0.2074996E-05 6 0.1472699E-07 7 0.3395194E-08 8 0.3586501E-08 9 0.0000000E+00 v, j, mj = 0 6 1 0 0.6933508E-15 1 0.1135701E-03 2 0.3233671E-04 3 0.3244447E-04 4 0.1622949E-04 5 0.1014759E-05 6 0.7058003E-08 7 0.3939391E-08 8 0.1261152E-08 9 0.0000000E+00 v, j, mj = 0 6 2 0 0.2695173E-12 1 0.1605585E-04 2 0.3063460E-04 3 0.2312362E-05 4 0.1305367E-05 5 0.2439552E-06 6 0.7017607E-08 7 0.2599342E-08 8 0.3625205E-08 9 0.0000000E+00 v, j, mj = 0 6 3 0 0.1471111E-07 1 0.5791303E-06 2 0.8131341E-05 3 0.3934958E-05 4 0.7915237E-06 5 0.5865692E-07 6 0.6654303E-08 7 0.5536727E-08 8 0.1217065E-08 9 0.0000000E+00 v, j, mj = 0 6 4 0 0.4235169E-13 1 0.4932192E-07 2 0.6080720E-06 3 0.9496672E-06 4 0.1434027E-06 5 0.4100176E-07 6 0.7824788E-08 7 0.2460003E-08 8 0.2894516E-08 9 0.0000000E+00 v, j, mj = 0 6 5 0 0.1261748E-13 1 0.3158157E-07 2 0.5856385E-07 3 0.1530218E-06 4 0.1000889E-06 5 0.2996926E-07 6 0.1353351E-07 7 0.6164330E-08 8 0.3671601E-08 9 0.0000000E+00 v, j, mj = 0 6 6 0 0.1134101E-07 1 0.5850691E-07 2 0.3318732E-07 3 0.7875888E-07 4 0.4798994E-07 5 0.3832524E-07 6 0.3215252E-08 7 0.1596295E-08 8 0.1143074E-08 9 0.0000000E+00 v, j, mj = 0 8 -8 0 0.2500446E-13 1 0.4948157E-08 2 0.9752903E-08 3 0.4122727E-08 4 0.1159142E-08 5 0.2702049E-08 6 0.1045470E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -7 0 0.5229918E-14 1 0.1243177E-07 2 0.7170931E-08 3 0.2611322E-08 4 0.3520941E-08 5 0.4136453E-08 6 0.1014909E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -6 0 0.2977308E-08 1 0.1385269E-07 2 0.4163168E-08 3 0.6087178E-08 4 0.1513373E-08 5 0.1386784E-07 6 0.1312196E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -5 0 0.1783728E-15 1 0.1808630E-07 2 0.3686619E-07 3 0.3412632E-07 4 0.7917293E-08 5 0.5558318E-08 6 0.7302399E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -4 0 0.3765580E-15 1 0.5530978E-06 2 0.4083621E-06 3 0.1111075E-06 4 0.1291194E-07 5 0.3143170E-08 6 0.4500300E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -3 0 0.7241465E-08 1 0.1062881E-04 2 0.2966119E-05 3 0.3272646E-06 4 0.8975262E-08 5 0.7494982E-08 6 0.8783861E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -2 0 0.1130390E-13 1 0.9594920E-06 2 0.3088275E-05 3 0.3016929E-06 4 0.1389421E-07 5 0.1226498E-07 6 0.2962786E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -1 0 0.1392746E-14 1 0.7872748E-05 2 0.4834315E-05 3 0.7370803E-07 4 0.1427220E-07 5 0.9692889E-08 6 0.6149244E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 0 0 0.1189630E-04 1 0.1626881E-04 2 0.9546993E-06 3 0.2400862E-07 4 0.6437543E-07 5 0.1900962E-07 6 0.3511106E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 1 0 0.8226243E-15 1 0.7872747E-05 2 0.4834315E-05 3 0.7370661E-07 4 0.1427214E-07 5 0.9692868E-08 6 0.6149243E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 2 0 0.4559402E-14 1 0.9594891E-06 2 0.3088275E-05 3 0.3016910E-06 4 0.1389482E-07 5 0.1226496E-07 6 0.2962786E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 3 0 0.7247731E-08 1 0.1062880E-04 2 0.2966122E-05 3 0.3272654E-06 4 0.8975270E-08 5 0.7494993E-08 6 0.8783858E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 4 0 0.1709292E-14 1 0.5530976E-06 2 0.4083650E-06 3 0.1111073E-06 4 0.1291318E-07 5 0.3143109E-08 6 0.4500319E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 5 0 0.3069780E-15 1 0.1808693E-07 2 0.3686113E-07 3 0.3412347E-07 4 0.7917402E-08 5 0.5558283E-08 6 0.7302403E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 6 0 0.2977229E-08 1 0.1385264E-07 2 0.4162552E-08 3 0.6087781E-08 4 0.1513779E-08 5 0.1386791E-07 6 0.1312194E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 7 0 0.4925940E-14 1 0.1243148E-07 2 0.7170132E-08 3 0.2610731E-08 4 0.3520300E-08 5 0.4136428E-08 6 0.1014908E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 8 0 0.1658009E-13 1 0.4941585E-08 2 0.9747210E-08 3 0.4123701E-08 4 0.1159398E-08 5 0.2702075E-08 6 0.1045472E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 -10 0 0.4219889E-18 1 0.4763314E-12 2 0.1238819E-11 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 -9 0 0.2144665E-13 1 0.2162337E-11 2 0.2854880E-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 -8 0 0.6932408E-18 1 0.1567373E-11 2 0.1267032E-10 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 -7 0 0.5635167E-18 1 0.1572502E-09 2 0.3876255E-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 -6 0 0.9373286E-10 1 0.2165645E-09 2 0.8986373E-10 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 -5 0 0.4124856E-18 1 0.3629979E-10 2 0.8505387E-10 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 -4 0 0.9112181E-19 1 0.7046711E-09 2 0.1730296E-09 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 -3 0 0.7206678E-10 1 0.1629881E-08 2 0.6029635E-09 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 -2 0 0.1332533E-17 1 0.4888485E-09 2 0.3352677E-08 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 -1 0 0.2049615E-18 1 0.7356487E-08 2 0.3827720E-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 0 0 0.1006328E-08 1 0.2860473E-08 2 0.4512316E-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 1 0 0.2401171E-18 1 0.7356477E-08 2 0.3827717E-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 2 0 0.1010085E-17 1 0.4888410E-09 2 0.3352679E-08 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 3 0 0.7206854E-10 1 0.1629878E-08 2 0.6029597E-09 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 4 0 0.1292241E-18 1 0.7046679E-09 2 0.1730284E-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 0.3546382E-18 1 0.3630056E-10 2 0.8505505E-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 6 0 0.9373052E-10 1 0.2165622E-09 2 0.8986258E-10 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 7 0 0.5202248E-18 1 0.1572470E-09 2 0.3876255E-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 0.6020357E-18 1 0.1567271E-11 2 0.1267086E-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 9 0 0.2141947E-13 1 0.2162331E-11 2 0.2855002E-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 0.4489814E-18 1 0.4763156E-12 2 0.1238838E-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 0.1528573E+00 1 0.1740002E+00 2 0.5540069E-01 3 0.1325404E+00 4 0.1238003E-01 5 0.1033314E-03 6 0.2829000E-06 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 2 -2 0 0.1164222E-11 1 0.5703916E-02 2 0.1021194E-01 3 0.3160193E-02 4 0.1344561E-03 5 0.7064020E-06 6 0.2400295E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 2 -1 0 0.5443220E-14 1 0.3371111E-01 2 0.3903179E-01 3 0.4588044E-02 4 0.3134355E-04 5 0.8855612E-07 6 0.1254750E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 2 0 0 0.1239418E+00 1 0.2835217E-01 2 0.2596395E-01 3 0.3962738E-01 4 0.3771161E-02 5 0.2194539E-04 6 0.6820335E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 2 1 0 0.4287621E-14 1 0.3371111E-01 2 0.3903179E-01 3 0.4588044E-02 4 0.3134355E-04 5 0.8855598E-07 6 0.1254751E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 2 2 0 0.1083010E-11 1 0.5703917E-02 2 0.1021193E-01 3 0.3160192E-02 4 0.1344561E-03 5 0.7064025E-06 6 0.2400302E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 -4 0 0.1584439E-14 1 0.1440016E-05 2 0.6479966E-06 3 0.7696370E-06 4 0.1940435E-06 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 0.6955719E-07 1 0.1751217E-05 2 0.7095561E-05 3 0.2363832E-05 4 0.6290571E-06 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 0.1386910E-13 1 0.1448885E-03 2 0.1793098E-03 3 0.9462385E-05 4 0.1061221E-05 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 0.1097431E-15 1 0.2722680E-02 2 0.9683336E-03 3 0.5777913E-04 4 0.6698042E-06 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 0.4258690E-02 1 0.2116821E-02 2 0.1601437E-03 3 0.7373111E-04 4 0.2687554E-05 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 0.8310056E-16 1 0.2722680E-02 2 0.9683336E-03 3 0.5777913E-04 4 0.6698045E-06 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 0.1434538E-13 1 0.1448884E-03 2 0.1793098E-03 3 0.9462381E-05 4 0.1061221E-05 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 0.6955478E-07 1 0.1751217E-05 2 0.7095569E-05 3 0.2363832E-05 4 0.6290571E-06 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 0.1667009E-14 1 0.1440018E-05 2 0.6479984E-06 3 0.7696366E-06 4 0.1940435E-06 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 sum of the probabilities = 0.9986346 average vibrational energy (ev) = 0.488149 average rotational energy (ev) = 0.024116 average diffraction energy (ev) = 0.021903 the reaction probability = 0.1365444D-02 $$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$ total energy = -0.40557020D+01 trans energy = 0.32142857D+00 trans energy in z = 0.32142857D+00 total momentum = 0.93167448D+01 $$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$ ************************************ rotation-diffraction summed probabilities ************************************ v probability av edif av erot 0 0.1212119E+00 0.2409385E-01 0.7754128E-01 1 0.8631920E+00 0.3286359E-01 0.3003374E-01 2 0.0000000E+00 0.0000000E+00 0.0000000E+00 ************************************ diffraction summed probabilities ************************************ v irot j m probability 0 43 0 0 0.2575514E-01 0 31 2 -2 0.9057672E-03 0 37 2 -1 0.4621638E-02 0 44 2 0 0.3977698E-01 0 50 2 1 0.4621637E-02 0 56 2 2 0.9057601E-03 0 21 4 -4 0.6199893E-04 0 26 4 -3 0.2609091E-03 0 32 4 -2 0.1917026E-03 0 38 4 -1 0.4973925E-02 0 45 4 0 0.2865992E-01 0 51 4 1 0.4973925E-02 0 57 4 2 0.1916995E-03 0 62 4 3 0.2609089E-03 0 67 4 4 0.6199814E-04 0 13 6 -6 0.5734730E-06 0 17 6 -5 0.1209082E-05 0 22 6 -4 0.1243029E-04 0 27 6 -3 0.1139262E-03 0 33 6 -2 0.1550598E-03 0 39 6 -1 0.4888982E-03 0 46 6 0 0.3101947E-02 0 52 6 1 0.4888984E-03 0 58 6 2 0.1550592E-03 0 63 6 3 0.1139258E-03 0 68 6 4 0.1243027E-04 0 72 6 5 0.1209114E-05 0 76 6 6 0.5736658E-06 0 7 8 -8 0.1870166E-07 0 10 8 -7 0.5485845E-07 0 14 8 -6 0.8173622E-07 0 18 8 -5 0.2954853E-06 0 23 8 -4 0.2147100E-05 0 28 8 -3 0.2381636E-04 0 34 8 -2 0.4049157E-04 0 40 8 -1 0.4603116E-04 0 47 8 0 0.1158134E-03 0 53 8 1 0.4603115E-04 0 59 8 2 0.4049153E-04 0 64 8 3 0.2381638E-04 0 69 8 4 0.2147118E-05 0 73 8 5 0.2954808E-06 0 77 8 6 0.8173156E-07 0 80 8 7 0.5485915E-07 0 83 8 8 0.1867229E-07 0 3 10 -10 0.4659233E-10 0 5 10 -9 0.2405287E-09 0 8 10 -8 0.3426362E-09 0 11 10 -7 0.3879031E-09 0 15 10 -6 0.1232328E-08 0 19 10 -5 0.1518557E-08 0 24 10 -4 0.2360567E-08 0 29 10 -3 0.6154855E-08 0 35 10 -2 0.1450874E-07 0 41 10 -1 0.3505049E-07 0 48 10 0 0.5871555E-07 0 54 10 1 0.3505054E-07 0 60 10 2 0.1450882E-07 0 65 10 3 0.6154849E-08 0 70 10 4 0.2360529E-08 0 74 10 5 0.1518524E-08 0 78 10 6 0.1232306E-08 0 81 10 7 0.3879043E-09 0 84 10 8 0.3426372E-09 0 86 10 9 0.2405264E-09 0 88 10 10 0.4659219E-10 0 1 12 -12 0.0000000E+00 0 2 12 -11 0.0000000E+00 0 4 12 -10 0.0000000E+00 0 6 12 -9 0.0000000E+00 0 9 12 -8 0.0000000E+00 0 12 12 -7 0.0000000E+00 0 16 12 -6 0.0000000E+00 0 20 12 -5 0.0000000E+00 0 25 12 -4 0.0000000E+00 0 30 12 -3 0.0000000E+00 0 36 12 -2 0.0000000E+00 0 42 12 -1 0.0000000E+00 0 49 12 0 0.0000000E+00 0 55 12 1 0.0000000E+00 0 61 12 2 0.0000000E+00 0 66 12 3 0.0000000E+00 0 71 12 4 0.0000000E+00 0 75 12 5 0.0000000E+00 0 79 12 6 0.0000000E+00 0 82 12 7 0.0000000E+00 0 85 12 8 0.0000000E+00 0 87 12 9 0.0000000E+00 0 89 12 10 0.0000000E+00 0 90 12 11 0.0000000E+00 0 91 12 12 0.0000000E+00 1 43 0 0 0.4071250E+00 1 31 2 -2 0.2490149E-01 1 37 2 -1 0.8481586E-01 1 44 2 0 0.1744804E+00 1 50 2 1 0.8481586E-01 1 56 2 2 0.2490147E-01 1 21 4 -4 0.4846601E-05 1 26 4 -3 0.1055357E-03 1 32 4 -2 0.2472072E-02 1 38 4 -1 0.1600703E-01 1 45 4 0 0.2496266E-01 1 51 4 1 0.1600703E-01 1 57 4 2 0.2472072E-02 1 62 4 3 0.1055358E-03 1 67 4 4 0.4846182E-05 1 13 6 -6 0.1199608E-06 1 17 6 -5 0.1060679E-07 1 22 6 -4 0.6070545E-07 1 27 6 -3 0.2446765E-06 1 33 6 -2 0.5407074E-06 1 39 6 -1 0.1279267E-05 1 46 6 0 0.5795342E-05 1 52 6 1 0.1279268E-05 1 58 6 2 0.5407079E-06 1 63 6 3 0.2446763E-06 1 68 6 4 0.6070564E-07 1 72 6 5 0.1060674E-07 1 76 6 6 0.1199606E-06 1 7 8 -8 0.0000000E+00 1 10 8 -7 0.0000000E+00 1 14 8 -6 0.0000000E+00 1 18 8 -5 0.0000000E+00 1 23 8 -4 0.0000000E+00 1 28 8 -3 0.0000000E+00 1 34 8 -2 0.0000000E+00 1 40 8 -1 0.0000000E+00 1 47 8 0 0.0000000E+00 1 53 8 1 0.0000000E+00 1 59 8 2 0.0000000E+00 1 64 8 3 0.0000000E+00 1 69 8 4 0.0000000E+00 1 73 8 5 0.0000000E+00 1 77 8 6 0.0000000E+00 1 80 8 7 0.0000000E+00 1 83 8 8 0.0000000E+00 1 3 10 -10 0.0000000E+00 1 5 10 -9 0.0000000E+00 1 8 10 -8 0.0000000E+00 1 11 10 -7 0.0000000E+00 1 15 10 -6 0.0000000E+00 1 19 10 -5 0.0000000E+00 1 24 10 -4 0.0000000E+00 1 29 10 -3 0.0000000E+00 1 35 10 -2 0.0000000E+00 1 41 10 -1 0.0000000E+00 1 48 10 0 0.0000000E+00 1 54 10 1 0.0000000E+00 1 60 10 2 0.0000000E+00 1 65 10 3 0.0000000E+00 1 70 10 4 0.0000000E+00 1 74 10 5 0.0000000E+00 1 78 10 6 0.0000000E+00 1 81 10 7 0.0000000E+00 1 84 10 8 0.0000000E+00 1 86 10 9 0.0000000E+00 1 88 10 10 0.0000000E+00 1 1 12 -12 0.0000000E+00 1 2 12 -11 0.0000000E+00 1 4 12 -10 0.0000000E+00 1 6 12 -9 0.0000000E+00 1 9 12 -8 0.0000000E+00 1 12 12 -7 0.0000000E+00 1 16 12 -6 0.0000000E+00 1 20 12 -5 0.0000000E+00 1 25 12 -4 0.0000000E+00 1 30 12 -3 0.0000000E+00 1 36 12 -2 0.0000000E+00 1 42 12 -1 0.0000000E+00 1 49 12 0 0.0000000E+00 1 55 12 1 0.0000000E+00 1 61 12 2 0.0000000E+00 1 66 12 3 0.0000000E+00 1 71 12 4 0.0000000E+00 1 75 12 5 0.0000000E+00 1 79 12 6 0.0000000E+00 1 82 12 7 0.0000000E+00 1 85 12 8 0.0000000E+00 1 87 12 9 0.0000000E+00 1 89 12 10 0.0000000E+00 1 90 12 11 0.0000000E+00 1 91 12 12 0.0000000E+00 2 43 0 0 0.0000000E+00 2 31 2 -2 0.0000000E+00 2 37 2 -1 0.0000000E+00 2 44 2 0 0.0000000E+00 2 50 2 1 0.0000000E+00 2 56 2 2 0.0000000E+00 2 21 4 -4 0.0000000E+00 2 26 4 -3 0.0000000E+00 2 32 4 -2 0.0000000E+00 2 38 4 -1 0.0000000E+00 2 45 4 0 0.0000000E+00 2 51 4 1 0.0000000E+00 2 57 4 2 0.0000000E+00 2 62 4 3 0.0000000E+00 2 67 4 4 0.0000000E+00 2 13 6 -6 0.0000000E+00 2 17 6 -5 0.0000000E+00 2 22 6 -4 0.0000000E+00 2 27 6 -3 0.0000000E+00 2 33 6 -2 0.0000000E+00 2 39 6 -1 0.0000000E+00 2 46 6 0 0.0000000E+00 2 52 6 1 0.0000000E+00 2 58 6 2 0.0000000E+00 2 63 6 3 0.0000000E+00 2 68 6 4 0.0000000E+00 2 72 6 5 0.0000000E+00 2 76 6 6 0.0000000E+00 2 7 8 -8 0.0000000E+00 2 10 8 -7 0.0000000E+00 2 14 8 -6 0.0000000E+00 2 18 8 -5 0.0000000E+00 2 23 8 -4 0.0000000E+00 2 28 8 -3 0.0000000E+00 2 34 8 -2 0.0000000E+00 2 40 8 -1 0.0000000E+00 2 47 8 0 0.0000000E+00 2 53 8 1 0.0000000E+00 2 59 8 2 0.0000000E+00 2 64 8 3 0.0000000E+00 2 69 8 4 0.0000000E+00 2 73 8 5 0.0000000E+00 2 77 8 6 0.0000000E+00 2 80 8 7 0.0000000E+00 2 83 8 8 0.0000000E+00 2 3 10 -10 0.0000000E+00 2 5 10 -9 0.0000000E+00 2 8 10 -8 0.0000000E+00 2 11 10 -7 0.0000000E+00 2 15 10 -6 0.0000000E+00 2 19 10 -5 0.0000000E+00 2 24 10 -4 0.0000000E+00 2 29 10 -3 0.0000000E+00 2 35 10 -2 0.0000000E+00 2 41 10 -1 0.0000000E+00 2 48 10 0 0.0000000E+00 2 54 10 1 0.0000000E+00 2 60 10 2 0.0000000E+00 2 65 10 3 0.0000000E+00 2 70 10 4 0.0000000E+00 2 74 10 5 0.0000000E+00 2 78 10 6 0.0000000E+00 2 81 10 7 0.0000000E+00 2 84 10 8 0.0000000E+00 2 86 10 9 0.0000000E+00 2 88 10 10 0.0000000E+00 2 1 12 -12 0.0000000E+00 2 2 12 -11 0.0000000E+00 2 4 12 -10 0.0000000E+00 2 6 12 -9 0.0000000E+00 2 9 12 -8 0.0000000E+00 2 12 12 -7 0.0000000E+00 2 16 12 -6 0.0000000E+00 2 20 12 -5 0.0000000E+00 2 25 12 -4 0.0000000E+00 2 30 12 -3 0.0000000E+00 2 36 12 -2 0.0000000E+00 2 42 12 -1 0.0000000E+00 2 49 12 0 0.0000000E+00 2 55 12 1 0.0000000E+00 2 61 12 2 0.0000000E+00 2 66 12 3 0.0000000E+00 2 71 12 4 0.0000000E+00 2 75 12 5 0.0000000E+00 2 79 12 6 0.0000000E+00 2 82 12 7 0.0000000E+00 2 85 12 8 0.0000000E+00 2 87 12 9 0.0000000E+00 2 89 12 10 0.0000000E+00 2 90 12 11 0.0000000E+00 2 91 12 12 0.0000000E+00 ************************************ probabilities as function of diffraction order ************************************ v, j, mj = 0 0 0 0 0.3762700E-02 1 0.1325976E-01 2 0.6671827E-02 3 0.1565807E-02 4 0.4648276E-03 5 0.2668461E-04 6 0.3350074E-05 7 0.1623467E-06 8 0.1852816E-07 9 0.5061927E-08 v, j, mj = 0 2 -2 0 0.9069025E-10 1 0.1700437E-04 2 0.2458723E-03 3 0.4336610E-03 4 0.1823188E-03 5 0.2606762E-04 6 0.6160536E-06 7 0.1793221E-06 8 0.4205461E-07 9 0.5612011E-08 v, j, mj = 0 2 -1 0 0.1064593E-11 1 0.1520638E-02 2 0.1442311E-02 3 0.9084738E-03 4 0.6618395E-03 5 0.8539047E-04 6 0.2913086E-05 7 0.6249745E-07 8 0.9026902E-08 9 0.4343124E-09 v, j, mj = 0 2 0 0 0.6865207E-02 1 0.2085522E-01 2 0.9021589E-02 3 0.2352128E-02 4 0.6182351E-03 5 0.6220031E-04 6 0.2146701E-05 7 0.2430706E-06 8 0.1408367E-07 9 0.3887437E-08 v, j, mj = 0 2 1 0 0.4098663E-12 1 0.1520639E-02 2 0.1442311E-02 3 0.9084725E-03 4 0.6618390E-03 5 0.8539046E-04 6 0.2913077E-05 7 0.6249830E-07 8 0.9024843E-08 9 0.4341746E-09 v, j, mj = 0 2 2 0 0.8575912E-10 1 0.1700241E-04 2 0.2458691E-03 3 0.4336595E-03 4 0.1823184E-03 5 0.2606745E-04 6 0.6160807E-06 7 0.1793279E-06 8 0.4205564E-07 9 0.5612060E-08 v, j, mj = 0 4 -4 0 0.1572025E-10 1 0.6574304E-06 2 0.8504099E-05 3 0.2333120E-04 4 0.2003118E-04 5 0.8163307E-05 6 0.1226209E-05 7 0.7802236E-07 8 0.5850914E-08 9 0.1615058E-08 v, j, mj = 0 4 -3 0 0.1453915E-07 1 0.4403156E-05 2 0.6272776E-04 3 0.1126953E-03 4 0.7210201E-04 5 0.8646117E-05 6 0.2896748E-06 7 0.2501267E-07 8 0.2612631E-08 9 0.2953517E-08 v, j, mj = 0 4 -2 0 0.9442344E-11 1 0.3691792E-05 2 0.1762140E-04 3 0.7068016E-04 4 0.7697941E-04 5 0.2188912E-04 6 0.8300777E-06 7 0.6561978E-08 8 0.2739535E-08 9 0.1336910E-08 v, j, mj = 0 4 -1 0 0.5817849E-13 1 0.1561641E-02 2 0.2316635E-02 3 0.6402584E-03 4 0.3711341E-03 5 0.8099754E-04 6 0.3214164E-05 7 0.3752642E-07 8 0.4250187E-08 9 0.1649214E-08 v, j, mj = 0 4 0 0 0.2929878E-02 1 0.1148353E-01 2 0.9138337E-02 3 0.3928872E-02 4 0.1044832E-02 5 0.1302066E-03 6 0.4216504E-05 7 0.3397318E-07 8 0.5258925E-08 9 0.8810599E-09 v, j, mj = 0 4 1 0 0.5503575E-13 1 0.1561642E-02 2 0.2316637E-02 3 0.6402581E-03 4 0.3711338E-03 5 0.8099746E-04 6 0.3214161E-05 7 0.3751842E-07 8 0.4250434E-08 9 0.1649245E-08 v, j, mj = 0 4 2 0 0.1054643E-10 1 0.3690867E-05 2 0.1761967E-04 3 0.7067982E-04 4 0.7697929E-04 5 0.2188910E-04 6 0.8300705E-06 7 0.6561223E-08 8 0.2739245E-08 9 0.1336931E-08 v, j, mj = 0 4 3 0 0.1441519E-07 1 0.4403164E-05 2 0.6272781E-04 3 0.1126952E-03 4 0.7210195E-04 5 0.8646128E-05 6 0.2896673E-06 7 0.2501663E-07 8 0.2613113E-08 9 0.2953500E-08 v, j, mj = 0 4 4 0 0.1198517E-10 1 0.6574367E-06 2 0.8503527E-05 3 0.2333099E-04 4 0.2003118E-04 5 0.8163258E-05 6 0.1226243E-05 7 0.7802299E-07 8 0.5851162E-08 9 0.1615058E-08 v, j, mj = 0 6 -6 0 0.3378295E-07 1 0.3236038E-07 2 0.5420231E-07 3 0.1400019E-06 4 0.1138841E-06 5 0.1696028E-06 6 0.2337021E-07 7 0.3061790E-08 8 0.2334529E-08 9 0.8720581E-09 v, j, mj = 0 6 -5 0 0.5134874E-13 1 0.5700134E-07 2 0.2272177E-06 3 0.3984268E-06 4 0.3516839E-06 5 0.1510658E-06 6 0.1442633E-07 7 0.4803204E-08 8 0.4053053E-08 9 0.4041404E-09 v, j, mj = 0 6 -4 0 0.2610534E-12 1 0.2799558E-06 2 0.5242293E-05 3 0.4324587E-05 4 0.2133345E-05 5 0.3768934E-06 6 0.6279125E-07 7 0.5137220E-08 8 0.2815562E-08 9 0.2466651E-08 v, j, mj = 0 6 -3 0 0.2274682E-07 1 0.6889237E-05 2 0.6562533E-04 3 0.2905261E-04 4 0.1118833E-04 5 0.1115478E-05 6 0.2571144E-07 7 0.4888805E-08 8 0.1411968E-08 9 0.4169663E-09 v, j, mj = 0 6 -2 0 0.1020671E-11 1 0.6281829E-04 2 0.7422449E-04 3 0.9860237E-05 4 0.5759377E-05 5 0.2245966E-05 6 0.1437742E-06 7 0.2127059E-08 8 0.3610089E-08 9 0.1909562E-08 v, j, mj = 0 6 -1 0 0.6507083E-14 1 0.1241239E-03 2 0.2149281E-03 3 0.1037164E-03 4 0.3647180E-04 5 0.9318680E-05 6 0.3333995E-06 7 0.3712380E-08 8 0.2042017E-08 9 0.1557860E-09 v, j, mj = 0 6 0 0 0.2296954E-03 1 0.6170328E-03 2 0.1406628E-02 3 0.6669118E-03 4 0.1622465E-03 5 0.1882164E-04 6 0.6015194E-06 7 0.3407565E-08 8 0.4221447E-08 9 0.1351852E-08 v, j, mj = 0 6 1 0 0.1990632E-13 1 0.1241239E-03 2 0.2149283E-03 3 0.1037164E-03 4 0.3647178E-04 5 0.9318676E-05 6 0.3333983E-06 7 0.3712727E-08 8 0.2042033E-08 9 0.1557843E-09 v, j, mj = 0 6 2 0 0.1238685E-11 1 0.6281822E-04 2 0.7422417E-04 3 0.9860135E-05 4 0.5759340E-05 5 0.2245962E-05 6 0.1437717E-06 7 0.2126962E-08 8 0.3610073E-08 9 0.1909552E-08 v, j, mj = 0 6 3 0 0.2264062E-07 1 0.6889182E-05 2 0.6562521E-04 3 0.2905253E-04 4 0.1118834E-04 5 0.1115489E-05 6 0.2571207E-07 7 0.4888916E-08 8 0.1411980E-08 9 0.4169671E-09 v, j, mj = 0 6 4 0 0.4264506E-12 1 0.2799599E-06 2 0.5242329E-05 3 0.4324582E-05 4 0.2133320E-05 5 0.3768719E-06 6 0.6279065E-07 7 0.5137450E-08 8 0.2815559E-08 9 0.2466644E-08 v, j, mj = 0 6 5 0 0.1912091E-13 1 0.5702040E-07 2 0.2272204E-06 3 0.3984845E-06 4 0.3516706E-06 5 0.1510345E-06 6 0.1442399E-07 7 0.4802628E-08 8 0.4053033E-08 9 0.4041417E-09 v, j, mj = 0 6 6 0 0.3378488E-07 1 0.3236212E-07 2 0.5421887E-07 3 0.1401092E-06 4 0.1139625E-06 5 0.1695936E-06 6 0.2336623E-07 7 0.3061817E-08 8 0.2334531E-08 9 0.8720580E-09 v, j, mj = 0 8 -8 0 0.1431077E-12 1 0.2602530E-08 2 0.5029905E-08 3 0.1964374E-08 4 0.4634661E-08 5 0.2086765E-08 6 0.2136502E-08 7 0.2467772E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -7 0 0.1127840E-13 1 0.1946703E-07 2 0.4956100E-08 3 0.1313423E-07 4 0.4516885E-08 5 0.2823200E-08 6 0.4018071E-08 7 0.5942922E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -6 0 0.1085113E-08 1 0.7634602E-08 2 0.2712988E-07 3 0.1643311E-07 4 0.6984371E-08 5 0.6901605E-08 6 0.1002340E-07 7 0.5544136E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -5 0 0.8611723E-15 1 0.5301321E-07 2 0.1078566E-06 3 0.8164926E-07 4 0.3096219E-07 5 0.8871553E-08 6 0.5293719E-08 7 0.7838829E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -4 0 0.3567804E-14 1 0.4241694E-06 2 0.9242039E-06 3 0.6933823E-06 4 0.8898264E-07 5 0.8626593E-08 6 0.4254744E-08 7 0.3480033E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -3 0 0.5352477E-08 1 0.6564194E-05 2 0.1485132E-04 3 0.2274800E-05 4 0.1006612E-06 5 0.7896984E-08 6 0.4703421E-08 7 0.7430035E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -2 0 0.5156591E-13 1 0.9326862E-05 2 0.2854272E-04 3 0.2517660E-05 4 0.9469356E-07 5 0.6697976E-08 6 0.2414465E-08 7 0.5261828E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -1 0 0.4821905E-14 1 0.2766434E-04 2 0.1726016E-04 3 0.9253331E-06 4 0.1688324E-06 5 0.5853865E-08 6 0.3814813E-08 7 0.2821088E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 0 0 0.3994864E-05 1 0.2217317E-04 2 0.7937644E-04 3 0.9810504E-05 4 0.4456429E-06 5 0.9478018E-08 6 0.2765889E-08 7 0.4967061E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 1 0 0.1836548E-14 1 0.2766433E-04 2 0.1726016E-04 3 0.9253330E-06 4 0.1688331E-06 5 0.5853751E-08 6 0.3814795E-08 7 0.2821087E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 2 0 0.1876724E-13 1 0.9326838E-05 2 0.2854270E-04 3 0.2517659E-05 4 0.9469323E-07 5 0.6698354E-08 6 0.2414469E-08 7 0.5261813E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 3 0 0.5364744E-08 1 0.6564178E-05 2 0.1485134E-04 3 0.2274797E-05 4 0.1006629E-06 5 0.7896921E-08 6 0.4703394E-08 7 0.7430049E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 4 0 0.3185262E-14 1 0.4241817E-06 2 0.9241983E-06 3 0.6933876E-06 4 0.8898901E-07 5 0.8626733E-08 6 0.4254772E-08 7 0.3480026E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 5 0 0.7234274E-15 1 0.5301266E-07 2 0.1078588E-06 3 0.8165051E-07 4 0.3095484E-07 5 0.8871494E-08 6 0.5293681E-08 7 0.7838848E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 6 0 0.1085228E-08 1 0.7635548E-08 2 0.2712953E-07 3 0.1642945E-07 4 0.6982189E-08 5 0.6902017E-08 6 0.1002347E-07 7 0.5544125E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 7 0 0.5568941E-14 1 0.1946661E-07 2 0.4958169E-08 3 0.1313609E-07 4 0.4515379E-08 5 0.2821969E-08 6 0.4018016E-08 7 0.5942909E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 8 0 0.6969697E-13 1 0.2591592E-08 2 0.5006656E-08 3 0.1960743E-08 4 0.4643047E-08 5 0.2086889E-08 6 0.2136524E-08 7 0.2467739E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 -10 0 0.1417200E-17 1 0.4010597E-11 2 0.5590096E-11 3 0.3699164E-10 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 -9 0 0.9959889E-12 1 0.5403407E-11 2 0.4727207E-11 3 0.2294021E-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 -8 0 0.1173415E-17 1 0.3851448E-11 2 0.4074150E-10 3 0.2980433E-09 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 -7 0 0.2019498E-17 1 0.6621704E-10 2 0.1823731E-09 3 0.1393129E-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 -6 0 0.8679219E-10 1 0.4155330E-10 2 0.6578370E-09 3 0.4461452E-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 -5 0 0.2269102E-17 1 0.3030319E-10 2 0.5183942E-09 3 0.9698592E-09 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 -4 0 0.8676885E-18 1 0.3683179E-09 2 0.4510418E-09 3 0.1541207E-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 -3 0 0.9924464E-10 1 0.9536695E-09 2 0.7798238E-09 3 0.4322117E-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 -2 0 0.2431493E-16 1 0.6550449E-08 2 0.5927758E-08 3 0.2030530E-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 0.7722278E-18 1 0.2166323E-07 2 0.9824919E-08 3 0.3562338E-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 0.2723568E-07 1 0.2391404E-07 2 0.5475554E-08 3 0.2090280E-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 0.1781871E-17 1 0.2166326E-07 2 0.9824959E-08 3 0.3562320E-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 2 0 0.1104761E-16 1 0.6550504E-08 2 0.5927791E-08 3 0.2030527E-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 3 0 0.9928058E-10 1 0.9536597E-09 2 0.7798123E-09 3 0.4322097E-08 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 4 0 0.6449809E-17 1 0.3683194E-09 2 0.4510345E-09 3 0.1541175E-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 5 0 0.7852035E-18 1 0.3030167E-10 2 0.5183869E-09 3 0.9698359E-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 6 0 0.8678936E-10 1 0.4155495E-10 2 0.6578407E-09 3 0.4461212E-09 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 7 0 0.1832997E-17 1 0.6621654E-10 2 0.1823731E-09 3 0.1393146E-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 8 0 0.2113347E-17 1 0.3853018E-11 2 0.4074049E-10 3 0.2980437E-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 9 0 0.9953013E-12 1 0.5401112E-11 2 0.4725921E-11 3 0.2294040E-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 10 0 0.2618630E-17 1 0.4009733E-11 2 0.5589211E-11 3 0.3699324E-10 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 0 0 0 0.1016083E+00 1 0.9671468E-01 2 0.6250521E-01 3 0.7996147E-01 4 0.6360377E-01 5 0.2722508E-02 6 0.9020614E-05 7 0.7671438E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 2 -2 0 0.1841722E-11 1 0.6510977E-02 2 0.3194298E-02 3 0.1252177E-01 4 0.2623151E-02 5 0.5109039E-04 6 0.1993569E-06 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 2 -1 0 0.7672213E-13 1 0.5706663E-01 2 0.1760651E-01 3 0.9536510E-02 4 0.6043178E-03 5 0.1706650E-05 6 0.1755115E-06 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 2 0 0 0.5131822E-01 1 0.1287844E-01 2 0.3098305E-01 3 0.5196885E-01 4 0.2651945E-01 5 0.8108586E-03 6 0.1558810E-05 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 2 1 0 0.9406158E-13 1 0.5706663E-01 2 0.1760651E-01 3 0.9536510E-02 4 0.6043178E-03 5 0.1706647E-05 6 0.1755114E-06 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 2 2 0 0.1429695E-11 1 0.6510970E-02 2 0.3194298E-02 3 0.1252176E-01 4 0.2623148E-02 5 0.5109033E-04 6 0.1993571E-06 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 -4 0 0.1363366E-11 1 0.2769262E-05 2 0.9539755E-06 3 0.5198861E-06 4 0.5485663E-06 5 0.5490960E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 -3 0 0.3188012E-06 1 0.2688377E-04 2 0.7220033E-04 3 0.5735218E-05 4 0.3333396E-06 5 0.6420784E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 -2 0 0.2042033E-12 1 0.1026999E-02 2 0.1044047E-02 3 0.3867428E-03 4 0.1420682E-04 5 0.7662229E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 -1 0 0.6522836E-14 1 0.1380143E-01 2 0.2098613E-02 3 0.1016947E-03 4 0.5141407E-05 5 0.1453658E-06 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 0 0 0.1149301E-01 1 0.9056417E-02 2 0.2831708E-02 3 0.1462711E-02 4 0.1179515E-03 5 0.8551390E-06 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 1 0 0.9763995E-14 1 0.1380143E-01 2 0.2098614E-02 3 0.1016947E-03 4 0.5141413E-05 5 0.1453654E-06 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 2 0 0.1468711E-12 1 0.1026998E-02 2 0.1044047E-02 3 0.3867425E-03 4 0.1420681E-04 5 0.7662213E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 3 0 0.3188541E-06 1 0.2688385E-04 2 0.7220035E-04 3 0.5735234E-05 4 0.3333379E-06 5 0.6420774E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 4 0 0.1713697E-11 1 0.2768956E-05 2 0.9538477E-06 3 0.5199059E-06 4 0.5485611E-06 5 0.5490949E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 6 -6 0 0.3411487E-07 1 0.6564005E-07 2 0.2020584E-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 6 -5 0 0.9676418E-18 1 0.1947708E-08 2 0.8659085E-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 0.1004059E-15 1 0.3347910E-07 2 0.2722635E-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 6 -3 0 0.2995911E-08 1 0.7047541E-08 2 0.2346331E-06 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 6 -2 0 0.7213239E-17 1 0.2530282E-07 2 0.5154046E-06 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 6 -1 0 0.2823547E-17 1 0.8133911E-06 2 0.4658758E-06 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 6 0 0 0.1597889E-05 1 0.3638775E-05 2 0.5586777E-06 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 6 1 0 0.3128294E-17 1 0.8133925E-06 2 0.4658758E-06 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 6 2 0 0.6669073E-17 1 0.2530297E-07 2 0.5154049E-06 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 6 3 0 0.2995979E-08 1 0.7047620E-08 2 0.2346327E-06 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 6 4 0 0.1179982E-15 1 0.3347952E-07 2 0.2722612E-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 6 5 0 0.1354885E-17 1 0.1947720E-08 2 0.8659023E-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 0.3411482E-07 1 0.6564004E-07 2 0.2020577E-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 = 0.9844039 average vibrational energy (ev) = 0.446702 average rotational energy (ev) = 0.035883 average diffraction energy (ev) = 0.031784 the reaction probability = 0.1559607D-01 $$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$ total energy = -0.39985592D+01 trans energy = 0.37857143D+00 trans energy in z = 0.37857143D+00 total momentum = 0.10111041D+02 $$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$ ************************************ rotation-diffraction summed probabilities ************************************ v probability av edif av erot 0 0.1972606E+00 0.2396903E-01 0.7533402E-01 1 0.6975353E+00 0.4199996E-01 0.4338181E-01 2 0.0000000E+00 0.0000000E+00 0.0000000E+00 ************************************ diffraction summed probabilities ************************************ v irot j m probability 0 43 0 0 0.3851238E-01 0 31 2 -2 0.1903207E-02 0 37 2 -1 0.1099431E-01 0 44 2 0 0.6722643E-01 0 50 2 1 0.1099431E-01 0 56 2 2 0.1903166E-02 0 21 4 -4 0.1603285E-03 0 26 4 -3 0.3803475E-03 0 32 4 -2 0.7856035E-03 0 38 4 -1 0.1475802E-01 0 45 4 0 0.2573230E-01 0 51 4 1 0.1475802E-01 0 57 4 2 0.7855924E-03 0 62 4 3 0.3803441E-03 0 67 4 4 0.1603300E-03 0 13 6 -6 0.8363813E-05 0 17 6 -5 0.1040058E-04 0 22 6 -4 0.3616477E-04 0 27 6 -3 0.1250182E-03 0 33 6 -2 0.1265449E-03 0 39 6 -1 0.1978858E-02 0 46 6 0 0.1960474E-02 0 52 6 1 0.1978859E-02 0 58 6 2 0.1265439E-03 0 63 6 3 0.1250177E-03 0 68 6 4 0.3616496E-04 0 72 6 5 0.1040093E-04 0 76 6 6 0.8364301E-05 0 7 8 -8 0.4165087E-07 0 10 8 -7 0.4982768E-07 0 14 8 -6 0.3192092E-06 0 18 8 -5 0.9635814E-06 0 23 8 -4 0.8416195E-05 0 28 8 -3 0.6274157E-04 0 34 8 -2 0.1503814E-03 0 40 8 -1 0.3014375E-03 0 47 8 0 0.2453571E-03 0 53 8 1 0.3014375E-03 0 59 8 2 0.1503813E-03 0 64 8 3 0.6274162E-04 0 69 8 4 0.8416249E-05 0 73 8 5 0.9635655E-06 0 77 8 6 0.3191969E-06 0 80 8 7 0.4982113E-07 0 83 8 8 0.4161008E-07 0 3 10 -10 0.4216955E-10 0 5 10 -9 0.1642095E-09 0 8 10 -8 0.3732152E-09 0 11 10 -7 0.1843756E-08 0 15 10 -6 0.2889004E-08 0 19 10 -5 0.3536994E-08 0 24 10 -4 0.7430539E-08 0 29 10 -3 0.1216514E-07 0 35 10 -2 0.2786952E-07 0 41 10 -1 0.1474103E-06 0 48 10 0 0.2821636E-06 0 54 10 1 0.1474104E-06 0 60 10 2 0.2786951E-07 0 65 10 3 0.1216489E-07 0 70 10 4 0.7430476E-08 0 74 10 5 0.3537148E-08 0 78 10 6 0.2889042E-08 0 81 10 7 0.1843771E-08 0 84 10 8 0.3731730E-09 0 86 10 9 0.1641750E-09 0 88 10 10 0.4215103E-10 0 1 12 -12 0.0000000E+00 0 2 12 -11 0.0000000E+00 0 4 12 -10 0.0000000E+00 0 6 12 -9 0.0000000E+00 0 9 12 -8 0.0000000E+00 0 12 12 -7 0.0000000E+00 0 16 12 -6 0.0000000E+00 0 20 12 -5 0.0000000E+00 0 25 12 -4 0.0000000E+00 0 30 12 -3 0.0000000E+00 0 36 12 -2 0.0000000E+00 0 42 12 -1 0.0000000E+00 0 49 12 0 0.0000000E+00 0 55 12 1 0.0000000E+00 0 61 12 2 0.0000000E+00 0 66 12 3 0.0000000E+00 0 71 12 4 0.0000000E+00 0 75 12 5 0.0000000E+00 0 79 12 6 0.0000000E+00 0 82 12 7 0.0000000E+00 0 85 12 8 0.0000000E+00 0 87 12 9 0.0000000E+00 0 89 12 10 0.0000000E+00 0 90 12 11 0.0000000E+00 0 91 12 12 0.0000000E+00 1 43 0 0 0.2630827E+00 1 31 2 -2 0.1629720E-01 1 37 2 -1 0.7831518E-01 1 44 2 0 0.1308184E+00 1 50 2 1 0.7831518E-01 1 56 2 2 0.1629717E-01 1 21 4 -4 0.4308238E-04 1 26 4 -3 0.4503403E-03 1 32 4 -2 0.8222576E-02 1 38 4 -1 0.3184625E-01 1 45 4 0 0.3280003E-01 1 51 4 1 0.3184625E-01 1 57 4 2 0.8222575E-02 1 62 4 3 0.4503410E-03 1 67 4 4 0.4308367E-04 1 13 6 -6 0.9695409E-07 1 17 6 -5 0.3288356E-07 1 22 6 -4 0.8468919E-07 1 27 6 -3 0.8865660E-06 1 33 6 -2 0.1443563E-04 1 39 6 -1 0.1113278E-03 1 46 6 0 0.2311886E-03 1 52 6 1 0.1113278E-03 1 58 6 2 0.1443564E-04 1 63 6 3 0.8865758E-06 1 68 6 4 0.8468772E-07 1 72 6 5 0.3288327E-07 1 76 6 6 0.9695391E-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 0.8945518E-02 1 0.2197982E-01 2 0.5245714E-02 3 0.1347147E-02 4 0.7618578E-03 5 0.2206180E-03 6 0.7395048E-05 7 0.3938502E-05 8 0.3554729E-06 9 0.1177407E-07 v, j, mj = 0 2 -2 0 0.2640391E-10 1 0.8185744E-04 2 0.1827521E-03 3 0.8918048E-03 4 0.5316033E-03 5 0.1835940E-03 6 0.2733765E-04 7 0.3788606E-05 8 0.4475301E-06 9 0.2104248E-07 v, j, mj = 0 2 -1 0 0.3002908E-10 1 0.5106535E-02 2 0.3423309E-02 3 0.7605636E-03 4 0.1255662E-02 5 0.4056609E-03 6 0.4154586E-04 7 0.1015266E-05 8 0.1137389E-07 9 0.3541490E-08 v, j, mj = 0 2 0 0 0.1641209E-01 1 0.3484631E-01 2 0.1017039E-01 3 0.3936633E-02 4 0.1568464E-02 5 0.2712129E-03 6 0.2076412E-04 7 0.4447194E-06 8 0.1160818E-06 9 0.1379957E-07 v, j, mj = 0 2 1 0 0.3586885E-10 1 0.5106536E-02 2 0.3423313E-02 3 0.7605582E-03 4 0.1255662E-02 5 0.4056610E-03 6 0.4154578E-04 7 0.1015278E-05 8 0.1137195E-07 9 0.3540746E-08 v, j, mj = 0 2 2 0 0.4784208E-10 1 0.8184359E-04 2 0.1827366E-03 3 0.8917979E-03 4 0.5316003E-03 5 0.1835927E-03 6 0.2733786E-04 7 0.3788607E-05 8 0.4475280E-06 9 0.2104326E-07 v, j, mj = 0 4 -4 0 0.1594216E-09 1 0.1077218E-04 2 0.4726019E-04 3 0.2182044E-04 4 0.3005145E-04 5 0.3630860E-04 6 0.1280818E-04 7 0.1252000E-05 8 0.5433387E-07 9 0.9647792E-09 v, j, mj = 0 4 -3 0 0.9959596E-06 1 0.2131494E-04 2 0.1991340E-03 3 0.3646540E-04 4 0.8644567E-04 5 0.3356319E-04 6 0.2302423E-05 7 0.1205058E-06 8 0.3060253E-08 9 0.2354985E-08 v, j, mj = 0 4 -2 0 0.3136171E-10 1 0.3566123E-03 2 0.1430048E-03 3 0.1111737E-03 4 0.1152585E-03 5 0.5169089E-04 6 0.7761561E-05 7 0.8879894E-07 8 0.1189709E-07 9 0.1043120E-08 v, j, mj = 0 4 -1 0 0.6859982E-11 1 0.6009918E-02 2 0.6203829E-02 3 0.1871178E-02 4 0.4505461E-03 5 0.1921226E-03 6 0.2982569E-04 7 0.5955845E-06 8 0.2733220E-08 9 0.1374217E-08 v, j, mj = 0 4 0 0 0.3891547E-02 1 0.1003974E-01 2 0.5838913E-02 3 0.3788032E-02 4 0.1737352E-02 5 0.4042655E-03 6 0.3196430E-04 7 0.4717110E-06 8 0.9755377E-08 9 0.1423797E-08 v, j, mj = 0 4 1 0 0.7822439E-11 1 0.6009920E-02 2 0.6203833E-02 3 0.1871177E-02 4 0.4505463E-03 5 0.1921225E-03 6 0.2982565E-04 7 0.5955744E-06 8 0.2734682E-08 9 0.1374135E-08 v, j, mj = 0 4 2 0 0.2294935E-10 1 0.3566081E-03 2 0.1429997E-03 3 0.1111723E-03 4 0.1152582E-03 5 0.5169073E-04 6 0.7761589E-05 7 0.8879200E-07 8 0.1189884E-07 9 0.1043073E-08 v, j, mj = 0 4 3 0 0.9921263E-06 1 0.2131474E-04 2 0.1991350E-03 3 0.3646541E-04 4 0.8644548E-04 5 0.3356297E-04 6 0.2302422E-05 7 0.1205121E-06 8 0.3060463E-08 9 0.2355020E-08 v, j, mj = 0 4 4 0 0.1931714E-09 1 0.1077517E-04 2 0.4725868E-04 3 0.2182025E-04 4 0.3005157E-04 5 0.3630857E-04 6 0.1280819E-04 7 0.1252040E-05 8 0.5433158E-07 9 0.9648106E-09 v, j, mj = 0 6 -6 0 0.6011356E-06 1 0.5164665E-06 2 0.9241058E-06 3 0.1249250E-05 4 0.2273751E-05 5 0.1927043E-05 6 0.8251144E-06 7 0.4453948E-07 8 0.1524527E-08 9 0.8819965E-09 v, j, mj = 0 6 -5 0 0.5433747E-11 1 0.1209265E-05 2 0.2857221E-05 3 0.1651928E-05 4 0.2195286E-05 5 0.1970139E-05 6 0.5003268E-06 7 0.1288671E-07 8 0.2417910E-08 9 0.1100874E-08 v, j, mj = 0 6 -4 0 0.8113011E-11 1 0.8881997E-05 2 0.1284372E-04 3 0.8486382E-05 4 0.4491522E-05 5 0.1253181E-05 6 0.1892207E-06 7 0.1553659E-07 8 0.2022155E-08 9 0.1173636E-08 v, j, mj = 0 6 -3 0 0.1186951E-06 1 0.1378375E-04 2 0.9109358E-04 3 0.7209997E-05 4 0.8412788E-05 5 0.4175617E-05 6 0.2120047E-06 7 0.9178735E-08 8 0.2144865E-08 9 0.4535165E-09 v, j, mj = 0 6 -2 0 0.3056532E-11 1 0.3188445E-04 2 0.6609973E-04 3 0.1080456E-04 4 0.1236875E-04 5 0.4749743E-05 6 0.6152756E-06 7 0.1822973E-07 8 0.2409055E-08 9 0.1740565E-08 v, j, mj = 0 6 -1 0 0.3746474E-12 1 0.1954164E-03 2 0.1131121E-02 3 0.5426984E-03 4 0.8753571E-04 5 0.1926828E-04 6 0.2775573E-05 7 0.3977247E-07 8 0.1889354E-08 9 0.8755153E-09 v, j, mj = 0 6 0 0 0.1551976E-03 1 0.2580974E-03 2 0.8453145E-03 3 0.4033846E-03 4 0.2361373E-03 5 0.5837095E-04 6 0.3924885E-05 7 0.4206535E-07 8 0.3525993E-08 9 0.1427627E-08 v, j, mj = 0 6 1 0 0.2202573E-12 1 0.1954166E-03 2 0.1131122E-02 3 0.5426986E-03 4 0.8753579E-04 5 0.1926831E-04 6 0.2775572E-05 7 0.3977227E-07 8 0.1889358E-08 9 0.8755121E-09 v, j, mj = 0 6 2 0 0.3280025E-11 1 0.3188463E-04 2 0.6609901E-04 3 0.1080415E-04 4 0.1236871E-04 5 0.4749724E-05 6 0.6152703E-06 7 0.1822920E-07 8 0.2409103E-08 9 0.1740563E-08 v, j, mj = 0 6 3 0 0.1183913E-06 1 0.1378376E-04 2 0.9109364E-04 3 0.7209844E-05 4 0.8412717E-05 5 0.4175610E-05 6 0.2120106E-06 7 0.9179526E-08 8 0.2144824E-08 9 0.4535152E-09 v, j, mj = 0 6 4 0 0.7497770E-11 1 0.8881960E-05 2 0.1284401E-04 3 0.8486371E-05 4 0.4491483E-05 5 0.1253185E-05 6 0.1892154E-06 7 0.1553380E-07 8 0.2022330E-08 9 0.1173630E-08 v, j, mj = 0 6 5 0 0.7273209E-11 1 0.1209538E-05 2 0.2857363E-05 3 0.1652128E-05 4 0.2195120E-05 5 0.1970052E-05 6 0.5003125E-06 7 0.1288726E-07 8 0.2417884E-08 9 0.1100869E-08 v, j, mj = 0 6 6 0 0.6011405E-06 1 0.5164751E-06 2 0.9240042E-06 3 0.1249423E-05 4 0.2274160E-05 5 0.1927066E-05 6 0.8250899E-06 7 0.4453646E-07 8 0.1524516E-08 9 0.8819957E-09 v, j, mj = 0 8 -8 0 0.6033112E-12 1 0.4896449E-08 2 0.7585330E-08 3 0.1553737E-07 4 0.9594344E-08 5 0.1228702E-08 6 0.1981559E-08 7 0.8262804E-09 8 0.2334428E-12 9 0.0000000E+00 v, j, mj = 0 8 -7 0 0.8316050E-15 1 0.9500589E-08 2 0.3549990E-08 3 0.1508564E-07 4 0.1110163E-07 5 0.3108042E-08 6 0.4125617E-08 7 0.3356087E-08 8 0.8491146E-13 9 0.0000000E+00 v, j, mj = 0 8 -6 0 0.8055942E-07 1 0.3310095E-07 2 0.8083972E-07 3 0.7361500E-07 4 0.3075685E-07 5 0.9720726E-08 6 0.3845790E-08 7 0.6770068E-08 8 0.6882144E-12 9 0.0000000E+00 v, j, mj = 0 8 -5 0 0.6046907E-14 1 0.2816041E-06 2 0.3026655E-06 3 0.3003940E-06 4 0.6361581E-07 5 0.9083211E-08 6 0.4001184E-08 7 0.2217353E-08 8 0.2393533E-12 9 0.0000000E+00 v, j, mj = 0 8 -4 0 0.6202505E-14 1 0.1816734E-06 2 0.4272384E-05 3 0.3760044E-05 4 0.1803104E-06 5 0.1368147E-07 6 0.5668172E-08 7 0.2432189E-08 8 0.1843589E-11 9 0.0000000E+00 v, j, mj = 0 8 -3 0 0.1011619E-07 1 0.9591284E-06 2 0.5683108E-04 3 0.4536170E-05 4 0.3322862E-06 5 0.6543813E-07 6 0.3097555E-08 7 0.4256616E-08 8 0.3964954E-12 9 0.0000000E+00 v, j, mj = 0 8 -2 0 0.1058690E-12 1 0.3692214E-04 2 0.1063636E-03 3 0.6685100E-05 4 0.3867755E-06 5 0.1808693E-07 6 0.3510140E-08 7 0.2183579E-08 8 0.1668038E-11 9 0.0000000E+00 v, j, mj = 0 8 -1 0 0.1378758E-13 1 0.8612466E-04 2 0.1874252E-03 3 0.2506247E-04 4 0.2700504E-05 5 0.1152009E-06 6 0.5483304E-08 7 0.4008068E-08 8 0.4710934E-12 9 0.0000000E+00 v, j, mj = 0 8 0 0 0.9882986E-05 1 0.3616253E-04 2 0.1815958E-03 3 0.1406079E-04 4 0.3461212E-05 5 0.1873714E-06 6 0.4719327E-08 7 0.1746940E-08 8 0.2260392E-11 9 0.0000000E+00 v, j, mj = 0 8 1 0 0.1300714E-13 1 0.8612462E-04 2 0.1874252E-03 3 0.2506247E-04 4 0.2700508E-05 5 0.1152010E-06 6 0.5483293E-08 7 0.4008047E-08 8 0.4710815E-12 9 0.0000000E+00 v, j, mj = 0 8 2 0 0.2990916E-13 1 0.3692212E-04 2 0.1063636E-03 3 0.6685088E-05 4 0.3867748E-06 5 0.1808842E-07 6 0.3510304E-08 7 0.2183607E-08 8 0.1668047E-11 9 0.0000000E+00 v, j, mj = 0 8 3 0 0.1015570E-07 1 0.9591166E-06 2 0.5683111E-04 3 0.4536163E-05 4 0.3322795E-06 5 0.6543693E-07 6 0.3097716E-08 7 0.4256635E-08 8 0.3964690E-12 9 0.0000000E+00 v, j, mj = 0 8 4 0 0.9087341E-15 1 0.1816979E-06 2 0.4272409E-05 3 0.3760043E-05 4 0.1803115E-06 5 0.1368449E-07 6 0.5668141E-08 7 0.2432197E-08 8 0.1843584E-11 9 0.0000000E+00 v, j, mj = 0 8 5 0 0.3511834E-14 1 0.2815866E-06 2 0.3026689E-06 3 0.3004017E-06 4 0.6360808E-07 5 0.9081729E-08 6 0.4000959E-08 7 0.2217308E-08 8 0.2393526E-12 9 0.0000000E+00 v, j, mj = 0 8 6 0 0.8055822E-07 1 0.3310272E-07 2 0.8083580E-07 3 0.7359811E-07 4 0.3076578E-07 5 0.9719187E-08 6 0.3846294E-08 7 0.6770076E-08 8 0.6882174E-12 9 0.0000000E+00 v, j, mj = 0 8 7 0 0.5738188E-14 1 0.9503211E-08 2 0.3540450E-08 3 0.1507766E-07 4 0.1110698E-07 5 0.3110952E-08 6 0.4125678E-08 7 0.3356110E-08 8 0.8491046E-13 9 0.0000000E+00 v, j, mj = 0 8 8 0 0.5284257E-12 1 0.4888020E-08 2 0.7583108E-08 3 0.1551415E-07 4 0.9589649E-08 5 0.1226479E-08 6 0.1981637E-08 7 0.8262695E-09 8 0.2334420E-12 9 0.0000000E+00 v, j, mj = 0 10 -10 0 0.1051382E-15 1 0.1095277E-11 2 0.8456908E-11 3 0.2214001E-10 4 0.1047726E-10 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 -9 0 0.3424623E-12 1 0.6735595E-11 2 0.2759958E-10 3 0.4950531E-10 4 0.8002655E-10 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 -8 0 0.4073172E-16 1 0.3134127E-10 2 0.8011785E-10 3 0.6211853E-10 4 0.1996375E-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 -7 0 0.4863714E-17 1 0.2961331E-09 2 0.4282136E-09 3 0.1181867E-09 4 0.1001223E-08 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 -6 0 0.4043049E-09 1 0.1549349E-10 2 0.3089708E-09 3 0.3179869E-09 4 0.1842248E-08 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 -5 0 0.5428899E-16 1 0.2677945E-09 2 0.3918836E-09 3 0.1047264E-08 4 0.1830052E-08 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 -4 0 0.2723245E-16 1 0.1725747E-08 2 0.1299951E-08 3 0.2370921E-08 4 0.2033920E-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 -3 0 0.7294068E-10 1 0.1443336E-08 2 0.6093093E-08 3 0.2072061E-08 4 0.2483705E-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 -2 0 0.6804272E-16 1 0.1142203E-08 2 0.1287438E-07 3 0.9785922E-08 4 0.4067020E-08 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 -1 0 0.4036845E-16 1 0.5857286E-07 2 0.7551067E-07 3 0.1023015E-07 4 0.3096626E-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 0.7389914E-07 1 0.1357696E-06 2 0.4386935E-07 3 0.2524414E-07 4 0.3381391E-08 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 1 0 0.3494368E-16 1 0.5857278E-07 2 0.7551090E-07 3 0.1023014E-07 4 0.3096627E-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 2 0 0.6683686E-17 1 0.1142359E-08 2 0.1287432E-07 3 0.9785834E-08 4 0.4066993E-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 3 0 0.7293259E-10 1 0.1443202E-08 2 0.6093063E-08 3 0.2072005E-08 4 0.2483691E-08 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 4 0 0.4247857E-16 1 0.1725658E-08 2 0.1299955E-08 3 0.2370944E-08 4 0.2033919E-08 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 5 0 0.2718614E-16 1 0.2679296E-09 2 0.3919016E-09 3 0.1047239E-08 4 0.1830078E-08 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 6 0 0.4043041E-09 1 0.1549175E-10 2 0.3090150E-09 3 0.3179946E-09 4 0.1842236E-08 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 7 0 0.9505156E-17 1 0.2961231E-09 2 0.4282333E-09 3 0.1181885E-09 4 0.1001226E-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 8 0 0.5440801E-16 1 0.3131044E-10 2 0.8009783E-10 3 0.6211584E-10 4 0.1996489E-09 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 9 0 0.3493256E-12 1 0.6711065E-11 2 0.2759051E-10 3 0.4949879E-10 4 0.8002533E-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 10 0 0.1936316E-15 1 0.1094569E-11 2 0.8439526E-11 3 0.2213628E-10 4 0.1048046E-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 0 0 0 0.5730499E-01 1 0.2992369E-01 2 0.8035146E-01 3 0.6302133E-02 4 0.7032898E-01 5 0.1856620E-01 6 0.3050468E-03 7 0.1630661E-06 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 2 -2 0 0.4723232E-10 1 0.5869384E-02 2 0.2811086E-02 3 0.3217740E-02 4 0.4010575E-02 5 0.3857977E-03 6 0.2618123E-05 7 0.4151411E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 2 -1 0 0.1335291E-11 1 0.1500651E-01 2 0.5653260E-01 3 0.4289510E-02 4 0.2413310E-02 5 0.7258477E-04 6 0.6413539E-06 7 0.2111410E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 2 0 0 0.3321220E-01 1 0.2168563E-01 2 0.4433581E-02 3 0.1087833E-01 4 0.5232211E-01 5 0.8209906E-02 6 0.7662302E-04 7 0.3121638E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 2 1 0 0.9919767E-12 1 0.1500651E-01 2 0.5653260E-01 3 0.4289514E-02 4 0.2413309E-02 5 0.7258467E-04 6 0.6413523E-06 7 0.2111419E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 2 2 0 0.4496049E-10 1 0.5869386E-02 2 0.2811077E-02 3 0.3217729E-02 4 0.4010562E-02 5 0.3857964E-03 6 0.2618107E-05 7 0.4151399E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 -4 0 0.2433989E-11 1 0.9795381E-05 2 0.1661860E-04 3 0.1557547E-04 4 0.9761891E-06 5 0.1097509E-06 6 0.6990849E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 -3 0 0.7307480E-06 1 0.1341622E-03 2 0.2814545E-03 3 0.3112955E-04 4 0.2620860E-05 5 0.2181857E-06 6 0.2419415E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 -2 0 0.4599372E-12 1 0.6003132E-02 2 0.1849064E-02 3 0.2705907E-03 4 0.9817406E-04 5 0.1574067E-05 6 0.4150225E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 -1 0 0.1045097E-12 1 0.2373836E-01 2 0.7275234E-02 3 0.7915062E-03 4 0.4032610E-04 5 0.7506968E-06 6 0.7373400E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 0 0 0.1981501E-01 1 0.8799099E-02 2 0.1962103E-02 3 0.9435473E-03 4 0.1232368E-02 5 0.4778055E-04 6 0.1212546E-06 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 1 0 0.5107384E-13 1 0.2373836E-01 2 0.7275234E-02 3 0.7915062E-03 4 0.4032604E-04 5 0.7507021E-06 6 0.7373406E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 2 0 0.5683040E-12 1 0.6003133E-02 2 0.1849063E-02 3 0.2705902E-03 4 0.9817375E-04 5 0.1574060E-05 6 0.4150261E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 3 0 0.7302987E-06 1 0.1341630E-03 2 0.2814548E-03 3 0.3112955E-04 4 0.2620872E-05 5 0.2181848E-06 6 0.2419416E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 4 0 0.4114576E-11 1 0.9796554E-05 2 0.1661848E-04 3 0.1557564E-04 4 0.9762456E-06 5 0.1097496E-06 6 0.6990860E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 6 -6 0 0.8705981E-08 1 0.4863664E-07 2 0.1990497E-07 3 0.1967573E-07 4 0.3077060E-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 0.2680139E-15 1 0.1222195E-08 2 0.1295865E-07 3 0.1869716E-07 4 0.5553822E-11 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 0.5450693E-15 1 0.7442898E-08 2 0.2268040E-07 3 0.5451932E-07 4 0.4657091E-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 0.5045464E-07 1 0.8047417E-07 2 0.3861074E-06 3 0.3695107E-06 4 0.1909427E-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 -2 0 0.2536278E-15 1 0.9201480E-05 2 0.4985486E-05 3 0.2483428E-06 4 0.3204391E-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 0.2966779E-15 1 0.9090393E-04 2 0.1993883E-04 3 0.4846103E-06 4 0.4381911E-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 0.8151492E-04 1 0.1265648E-03 2 0.2289746E-04 3 0.2108913E-06 4 0.5414889E-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 0.1398200E-15 1 0.9090392E-04 2 0.1993883E-04 3 0.4846104E-06 4 0.4382004E-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 0.1636147E-15 1 0.9201484E-05 2 0.4985491E-05 3 0.2483428E-06 4 0.3204426E-09 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 6 3 0 0.5045906E-07 1 0.8047860E-07 2 0.3861084E-06 3 0.3695106E-06 4 0.1909507E-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 0.9295020E-15 1 0.7441957E-08 2 0.2267981E-07 3 0.5451937E-07 4 0.4657155E-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 0.2553934E-15 1 0.1221999E-08 2 0.1295862E-07 3 0.1869710E-07 4 0.5553694E-11 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 0.8705719E-08 1 0.4863701E-07 2 0.1990489E-07 3 0.1967552E-07 4 0.3077097E-10 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 sum of the probabilities = 0.8947959 average vibrational energy (ev) = 0.397124 average rotational energy (ev) = 0.050426 average diffraction energy (ev) = 0.038025 the reaction probability = 0.1052041D+00 $$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$ total energy = -0.39414163D+01 trans energy = 0.43571429D+00 trans energy in z = 0.43571429D+00 total momentum = 0.10847330D+02 $$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$ ************************************ rotation-diffraction summed probabilities ************************************ v probability av edif av erot 0 0.1789015E+00 0.2734546E-01 0.9191242E-01 1 0.5588861E+00 0.3950951E-01 0.5748931E-01 2 0.0000000E+00 0.0000000E+00 0.0000000E+00 ************************************ diffraction summed probabilities ************************************ v irot j m probability 0 43 0 0 0.2958328E-01 0 31 2 -2 0.2875882E-02 0 37 2 -1 0.1563184E-01 0 44 2 0 0.4052115E-01 0 50 2 1 0.1563185E-01 0 56 2 2 0.2875858E-02 0 21 4 -4 0.7155083E-03 0 26 4 -3 0.1853210E-02 0 32 4 -2 0.3518143E-02 0 38 4 -1 0.1832683E-01 0 45 4 0 0.8363443E-02 0 51 4 1 0.1832683E-01 0 57 4 2 0.3518137E-02 0 62 4 3 0.1853205E-02 0 67 4 4 0.7155094E-03 0 13 6 -6 0.1529492E-03 0 17 6 -5 0.9797574E-04 0 22 6 -4 0.1900302E-03 0 27 6 -3 0.4008738E-03 0 33 6 -2 0.9650597E-03 0 39 6 -1 0.2468383E-02 0 46 6 0 0.2980873E-02 0 52 6 1 0.2468383E-02 0 58 6 2 0.9650597E-03 0 63 6 3 0.4008739E-03 0 68 6 4 0.1900309E-03 0 72 6 5 0.9797556E-04 0 76 6 6 0.1529493E-03 0 7 8 -8 0.1486467E-05 0 10 8 -7 0.7781837E-06 0 14 8 -6 0.3300562E-05 0 18 8 -5 0.6205141E-05 0 23 8 -4 0.3873991E-04 0 28 8 -3 0.1945023E-03 0 34 8 -2 0.4202300E-03 0 40 8 -1 0.4718982E-03 0 47 8 0 0.7603704E-03 0 53 8 1 0.4718982E-03 0 59 8 2 0.4202300E-03 0 64 8 3 0.1945024E-03 0 69 8 4 0.3873995E-04 0 73 8 5 0.6205166E-05 0 77 8 6 0.3300558E-05 0 80 8 7 0.7783666E-06 0 83 8 8 0.1486409E-05 0 3 10 -10 0.1304694E-09 0 5 10 -9 0.3543885E-09 0 8 10 -8 0.1077298E-08 0 11 10 -7 0.3747913E-08 0 15 10 -6 0.6393654E-08 0 19 10 -5 0.7232840E-08 0 24 10 -4 0.2706296E-07 0 29 10 -3 0.2574818E-06 0 35 10 -2 0.1729541E-05 0 41 10 -1 0.5543515E-05 0 48 10 0 0.9626177E-05 0 54 10 1 0.5543516E-05 0 60 10 2 0.1729542E-05 0 65 10 3 0.2574823E-06 0 70 10 4 0.2706277E-07 0 74 10 5 0.7232703E-08 0 78 10 6 0.6393817E-08 0 81 10 7 0.3747923E-08 0 84 10 8 0.1077482E-08 0 86 10 9 0.3549223E-09 0 88 10 10 0.1304038E-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 0.1698135E+00 1 31 2 -2 0.1819752E-01 1 37 2 -1 0.5767882E-01 1 44 2 0 0.8975079E-01 1 50 2 1 0.5767880E-01 1 56 2 2 0.1819750E-01 1 21 4 -4 0.4431464E-03 1 26 4 -3 0.1493931E-02 1 32 4 -2 0.1247767E-01 1 38 4 -1 0.3585310E-01 1 45 4 0 0.4303429E-01 1 51 4 1 0.3585309E-01 1 57 4 2 0.1247767E-01 1 62 4 3 0.1493932E-02 1 67 4 4 0.4431476E-03 1 13 6 -6 0.3948431E-06 1 17 6 -5 0.2099915E-06 1 22 6 -4 0.9195540E-06 1 27 6 -3 0.1339296E-04 1 33 6 -2 0.2456029E-03 1 39 6 -1 0.9452350E-03 1 46 6 0 0.1587722E-02 1 52 6 1 0.9452350E-03 1 58 6 2 0.2456029E-03 1 63 6 3 0.1339299E-04 1 68 6 4 0.9195646E-06 1 72 6 5 0.2099911E-06 1 76 6 6 0.3948386E-06 1 7 8 -8 0.0000000E+00 1 10 8 -7 0.0000000E+00 1 14 8 -6 0.0000000E+00 1 18 8 -5 0.0000000E+00 1 23 8 -4 0.0000000E+00 1 28 8 -3 0.0000000E+00 1 34 8 -2 0.0000000E+00 1 40 8 -1 0.0000000E+00 1 47 8 0 0.0000000E+00 1 53 8 1 0.0000000E+00 1 59 8 2 0.0000000E+00 1 64 8 3 0.0000000E+00 1 69 8 4 0.0000000E+00 1 73 8 5 0.0000000E+00 1 77 8 6 0.0000000E+00 1 80 8 7 0.0000000E+00 1 83 8 8 0.0000000E+00 1 3 10 -10 0.0000000E+00 1 5 10 -9 0.0000000E+00 1 8 10 -8 0.0000000E+00 1 11 10 -7 0.0000000E+00 1 15 10 -6 0.0000000E+00 1 19 10 -5 0.0000000E+00 1 24 10 -4 0.0000000E+00 1 29 10 -3 0.0000000E+00 1 35 10 -2 0.0000000E+00 1 41 10 -1 0.0000000E+00 1 48 10 0 0.0000000E+00 1 54 10 1 0.0000000E+00 1 60 10 2 0.0000000E+00 1 65 10 3 0.0000000E+00 1 70 10 4 0.0000000E+00 1 74 10 5 0.0000000E+00 1 78 10 6 0.0000000E+00 1 81 10 7 0.0000000E+00 1 84 10 8 0.0000000E+00 1 86 10 9 0.0000000E+00 1 88 10 10 0.0000000E+00 1 1 12 -12 0.0000000E+00 1 2 12 -11 0.0000000E+00 1 4 12 -10 0.0000000E+00 1 6 12 -9 0.0000000E+00 1 9 12 -8 0.0000000E+00 1 12 12 -7 0.0000000E+00 1 16 12 -6 0.0000000E+00 1 20 12 -5 0.0000000E+00 1 25 12 -4 0.0000000E+00 1 30 12 -3 0.0000000E+00 1 36 12 -2 0.0000000E+00 1 42 12 -1 0.0000000E+00 1 49 12 0 0.0000000E+00 1 55 12 1 0.0000000E+00 1 61 12 2 0.0000000E+00 1 66 12 3 0.0000000E+00 1 71 12 4 0.0000000E+00 1 75 12 5 0.0000000E+00 1 79 12 6 0.0000000E+00 1 82 12 7 0.0000000E+00 1 85 12 8 0.0000000E+00 1 87 12 9 0.0000000E+00 1 89 12 10 0.0000000E+00 1 90 12 11 0.0000000E+00 1 91 12 12 0.0000000E+00 2 43 0 0 0.0000000E+00 2 31 2 -2 0.0000000E+00 2 37 2 -1 0.0000000E+00 2 44 2 0 0.0000000E+00 2 50 2 1 0.0000000E+00 2 56 2 2 0.0000000E+00 2 21 4 -4 0.0000000E+00 2 26 4 -3 0.0000000E+00 2 32 4 -2 0.0000000E+00 2 38 4 -1 0.0000000E+00 2 45 4 0 0.0000000E+00 2 51 4 1 0.0000000E+00 2 57 4 2 0.0000000E+00 2 62 4 3 0.0000000E+00 2 67 4 4 0.0000000E+00 2 13 6 -6 0.0000000E+00 2 17 6 -5 0.0000000E+00 2 22 6 -4 0.0000000E+00 2 27 6 -3 0.0000000E+00 2 33 6 -2 0.0000000E+00 2 39 6 -1 0.0000000E+00 2 46 6 0 0.0000000E+00 2 52 6 1 0.0000000E+00 2 58 6 2 0.0000000E+00 2 63 6 3 0.0000000E+00 2 68 6 4 0.0000000E+00 2 72 6 5 0.0000000E+00 2 76 6 6 0.0000000E+00 2 7 8 -8 0.0000000E+00 2 10 8 -7 0.0000000E+00 2 14 8 -6 0.0000000E+00 2 18 8 -5 0.0000000E+00 2 23 8 -4 0.0000000E+00 2 28 8 -3 0.0000000E+00 2 34 8 -2 0.0000000E+00 2 40 8 -1 0.0000000E+00 2 47 8 0 0.0000000E+00 2 53 8 1 0.0000000E+00 2 59 8 2 0.0000000E+00 2 64 8 3 0.0000000E+00 2 69 8 4 0.0000000E+00 2 73 8 5 0.0000000E+00 2 77 8 6 0.0000000E+00 2 80 8 7 0.0000000E+00 2 83 8 8 0.0000000E+00 2 3 10 -10 0.0000000E+00 2 5 10 -9 0.0000000E+00 2 8 10 -8 0.0000000E+00 2 11 10 -7 0.0000000E+00 2 15 10 -6 0.0000000E+00 2 19 10 -5 0.0000000E+00 2 24 10 -4 0.0000000E+00 2 29 10 -3 0.0000000E+00 2 35 10 -2 0.0000000E+00 2 41 10 -1 0.0000000E+00 2 48 10 0 0.0000000E+00 2 54 10 1 0.0000000E+00 2 60 10 2 0.0000000E+00 2 65 10 3 0.0000000E+00 2 70 10 4 0.0000000E+00 2 74 10 5 0.0000000E+00 2 78 10 6 0.0000000E+00 2 81 10 7 0.0000000E+00 2 84 10 8 0.0000000E+00 2 86 10 9 0.0000000E+00 2 88 10 10 0.0000000E+00 2 1 12 -12 0.0000000E+00 2 2 12 -11 0.0000000E+00 2 4 12 -10 0.0000000E+00 2 6 12 -9 0.0000000E+00 2 9 12 -8 0.0000000E+00 2 12 12 -7 0.0000000E+00 2 16 12 -6 0.0000000E+00 2 20 12 -5 0.0000000E+00 2 25 12 -4 0.0000000E+00 2 30 12 -3 0.0000000E+00 2 36 12 -2 0.0000000E+00 2 42 12 -1 0.0000000E+00 2 49 12 0 0.0000000E+00 2 55 12 1 0.0000000E+00 2 61 12 2 0.0000000E+00 2 66 12 3 0.0000000E+00 2 71 12 4 0.0000000E+00 2 75 12 5 0.0000000E+00 2 79 12 6 0.0000000E+00 2 82 12 7 0.0000000E+00 2 85 12 8 0.0000000E+00 2 87 12 9 0.0000000E+00 2 89 12 10 0.0000000E+00 2 90 12 11 0.0000000E+00 2 91 12 12 0.0000000E+00 ************************************ probabilities as function of diffraction order ************************************ v, j, mj = 0 0 0 0 0.7808053E-02 1 0.1660721E-01 2 0.1641900E-02 3 0.2181991E-02 4 0.5362786E-03 5 0.6906332E-03 6 0.3531823E-04 7 0.7142913E-04 8 0.9936046E-05 9 0.5316687E-06 v, j, mj = 0 2 -2 0 0.5001047E-08 1 0.7629499E-04 2 0.2292831E-03 3 0.1442206E-02 4 0.8126287E-03 5 0.2113084E-03 6 0.8781295E-04 7 0.1437658E-04 8 0.1855599E-05 9 0.1103070E-06 v, j, mj = 0 2 -1 0 0.1510302E-09 1 0.9957987E-02 2 0.3339953E-02 3 0.6412739E-03 4 0.9648205E-03 5 0.5696645E-03 6 0.1455670E-03 7 0.1228873E-04 8 0.2804672E-06 9 0.7523226E-08 v, j, mj = 0 2 0 0 0.1160498E-01 1 0.2248752E-01 2 0.1118660E-02 3 0.3074351E-02 4 0.1341715E-02 5 0.6977943E-03 6 0.1749108E-03 7 0.1558005E-04 8 0.5438732E-05 9 0.2108586E-06 v, j, mj = 0 2 1 0 0.1244064E-09 1 0.9957987E-02 2 0.3339955E-02 3 0.6412684E-03 4 0.9648290E-03 5 0.5696633E-03 6 0.1455670E-03 7 0.1228880E-04 8 0.2804682E-06 9 0.7522240E-08 v, j, mj = 0 2 2 0 0.4800210E-08 1 0.7628989E-04 2 0.2292720E-03 3 0.1442199E-02 4 0.8126287E-03 5 0.2113080E-03 6 0.8781333E-04 7 0.1437640E-04 8 0.1855586E-05 9 0.1103071E-06 v, j, mj = 0 4 -4 0 0.2964414E-09 1 0.7171420E-04 2 0.1714553E-03 3 0.4034601E-04 4 0.2203825E-03 5 0.1379484E-03 6 0.5712114E-04 7 0.1494767E-04 8 0.1575601E-05 9 0.1721024E-07 v, j, mj = 0 4 -3 0 0.2045937E-05 1 0.3788815E-04 2 0.9840276E-03 3 0.3527567E-03 4 0.2400585E-03 5 0.2161705E-03 6 0.1905331E-04 7 0.1085218E-05 8 0.1203986E-06 9 0.3828823E-08 v, j, mj = 0 4 -2 0 0.2497530E-09 1 0.1044073E-02 2 0.1250872E-02 3 0.5489089E-03 4 0.4488590E-03 5 0.1964422E-03 6 0.2758259E-04 7 0.1323877E-05 8 0.7841401E-07 9 0.3175889E-08 v, j, mj = 0 4 -1 0 0.1283043E-09 1 0.1050987E-01 2 0.5228051E-02 3 0.1735797E-02 4 0.6351080E-03 5 0.1526913E-03 6 0.5888403E-04 7 0.6365136E-05 8 0.5545638E-07 9 0.1140140E-08 v, j, mj = 0 4 0 0 0.1715287E-02 1 0.4609583E-02 2 0.4305213E-03 3 0.3566667E-03 4 0.7573078E-03 5 0.3970048E-03 6 0.9507295E-04 7 0.1831523E-05 8 0.1591030E-06 9 0.8997871E-08 v, j, mj = 0 4 1 0 0.1190454E-09 1 0.1050987E-01 2 0.5228055E-02 3 0.1735793E-02 4 0.6351118E-03 5 0.1526915E-03 6 0.5888400E-04 7 0.6365167E-05 8 0.5545982E-07 9 0.1140104E-08 v, j, mj = 0 4 2 0 0.2673514E-09 1 0.1044066E-02 2 0.1250871E-02 3 0.5489098E-03 4 0.4488596E-03 5 0.1964422E-03 6 0.2758262E-04 7 0.1323840E-05 8 0.7840957E-07 9 0.3175857E-08 v, j, mj = 0 4 3 0 0.2044305E-05 1 0.3788807E-04 2 0.9840280E-03 3 0.3527549E-03 4 0.2400566E-03 5 0.2161704E-03 6 0.1905326E-04 7 0.1085226E-05 8 0.1203946E-06 9 0.3828813E-08 v, j, mj = 0 4 4 0 0.2662060E-09 1 0.7171680E-04 2 0.1714556E-03 3 0.4034470E-04 4 0.2203840E-03 5 0.1379467E-03 6 0.5712090E-04 7 0.1494761E-04 8 0.1575603E-05 9 0.1720964E-07 v, j, mj = 0 6 -6 0 0.8291194E-05 1 0.3539496E-05 2 0.1508519E-04 3 0.2539001E-04 4 0.3445947E-04 5 0.4170643E-04 6 0.2179053E-04 7 0.2650210E-05 8 0.3459133E-07 9 0.2079541E-08 v, j, mj = 0 6 -5 0 0.8096559E-10 1 0.1538513E-04 2 0.4396851E-04 3 0.2286265E-04 4 0.7424586E-05 5 0.4470971E-05 6 0.3602722E-05 7 0.2534645E-06 8 0.6426953E-08 9 0.1198531E-08 v, j, mj = 0 6 -4 0 0.5681653E-10 1 0.4466752E-04 2 0.5790782E-04 3 0.3657458E-04 4 0.4194061E-04 5 0.7201818E-05 6 0.1428641E-05 7 0.3003457E-06 8 0.7491259E-08 9 0.1323953E-08 v, j, mj = 0 6 -3 0 0.2522413E-06 1 0.2073241E-04 2 0.2170770E-03 3 0.8502414E-04 4 0.5064110E-04 5 0.2421076E-04 6 0.2871682E-05 7 0.6221679E-07 8 0.1735370E-08 9 0.4594054E-09 v, j, mj = 0 6 -2 0 0.2198757E-10 1 0.2074896E-03 2 0.6346510E-03 3 0.3180109E-04 4 0.5191483E-04 5 0.3465556E-04 6 0.4393995E-05 7 0.1503236E-06 8 0.1749168E-08 9 0.1446924E-08 v, j, mj = 0 6 -1 0 0.3128555E-11 1 0.7003636E-03 2 0.1258025E-02 3 0.3311217E-03 4 0.1512481E-03 5 0.2259993E-04 6 0.4662176E-05 7 0.3601905E-06 8 0.1336877E-08 9 0.8036444E-09 v, j, mj = 0 6 0 0 0.4691847E-03 1 0.1031589E-02 2 0.1367811E-02 3 0.1649825E-04 4 0.5113915E-04 5 0.3612483E-04 6 0.8260381E-05 7 0.2624628E-06 8 0.1471031E-08 9 0.1393308E-08 v, j, mj = 0 6 1 0 0.3754535E-11 1 0.7003637E-03 2 0.1258025E-02 3 0.3311211E-03 4 0.1512482E-03 5 0.2259993E-04 6 0.4662179E-05 7 0.3601875E-06 8 0.1337010E-08 9 0.8036374E-09 v, j, mj = 0 6 2 0 0.1981364E-10 1 0.2074899E-03 2 0.6346507E-03 3 0.3180120E-04 4 0.5191489E-04 5 0.3465550E-04 6 0.4393987E-05 7 0.1503223E-06 8 0.1749487E-08 9 0.1446925E-08 v, j, mj = 0 6 3 0 0.2520248E-06 1 0.2073304E-04 2 0.2170770E-03 3 0.8502411E-04 4 0.5064103E-04 5 0.2421063E-04 6 0.2871680E-05 7 0.6221537E-07 8 0.1735304E-08 9 0.4594043E-09 v, j, mj = 0 6 4 0 0.5416978E-10 1 0.4466819E-04 2 0.5790797E-04 3 0.3657469E-04 4 0.4194038E-04 5 0.7201881E-05 6 0.1428613E-05 7 0.3003443E-06 8 0.7491139E-08 9 0.1323940E-08 v, j, mj = 0 6 5 0 0.8952317E-10 1 0.1538502E-04 2 0.4396889E-04 3 0.2286209E-04 4 0.7424672E-05 5 0.4471051E-05 6 0.3602659E-05 7 0.2534626E-06 8 0.6426878E-08 9 0.1198528E-08 v, j, mj = 0 6 6 0 0.8291207E-05 1 0.3539413E-05 2 0.1508525E-04 3 0.2539024E-04 4 0.3445958E-04 5 0.4170629E-04 6 0.2179049E-04 7 0.2650202E-05 8 0.3459087E-07 9 0.2079550E-08 v, j, mj = 0 8 -8 0 0.1661361E-11 1 0.2026291E-07 2 0.1095527E-06 3 0.3207188E-06 4 0.6610721E-06 5 0.3590569E-06 6 0.1361485E-07 7 0.1983357E-08 8 0.2038346E-09 9 0.0000000E+00 v, j, mj = 0 8 -7 0 0.1632950E-12 1 0.2180966E-06 2 0.2264611E-07 3 0.1491534E-06 4 0.2327156E-06 5 0.1441463E-06 6 0.8540424E-08 7 0.2696683E-08 8 0.1884561E-09 9 0.0000000E+00 v, j, mj = 0 8 -6 0 0.1183832E-05 1 0.5967072E-06 2 0.7442208E-06 3 0.3807461E-06 4 0.3029972E-06 5 0.7837309E-07 6 0.7013454E-08 7 0.5012246E-08 8 0.1660323E-08 9 0.0000000E+00 v, j, mj = 0 8 -5 0 0.8025668E-12 1 0.4089594E-06 2 0.2221855E-05 3 0.2890281E-05 4 0.6167266E-06 5 0.5822568E-07 6 0.5791362E-08 7 0.2059406E-08 8 0.1241848E-08 9 0.0000000E+00 v, j, mj = 0 8 -4 0 0.4113295E-12 1 0.1178049E-05 2 0.2627642E-04 3 0.1013721E-04 4 0.1006789E-05 5 0.1317120E-06 6 0.6566406E-08 7 0.2368752E-08 8 0.8015400E-09 9 0.0000000E+00 v, j, mj = 0 8 -3 0 0.1731264E-07 1 0.3560364E-05 2 0.1798071E-03 3 0.9025642E-05 4 0.1817073E-05 5 0.2422076E-06 6 0.2657753E-07 7 0.4970761E-08 8 0.1075894E-08 9 0.0000000E+00 v, j, mj = 0 8 -2 0 0.5555660E-12 1 0.1072362E-03 2 0.3063584E-03 3 0.4542943E-05 4 0.1479164E-05 5 0.5962557E-06 6 0.1525965E-07 7 0.9848497E-09 8 0.8243605E-09 9 0.0000000E+00 v, j, mj = 0 8 -1 0 0.1128688E-12 1 0.1175214E-03 2 0.3376022E-03 3 0.8692430E-05 4 0.7303117E-05 5 0.7270176E-06 6 0.4490539E-07 7 0.6157483E-08 8 0.9355276E-09 9 0.0000000E+00 v, j, mj = 0 8 0 0 0.1408727E-04 1 0.1218226E-03 2 0.6168396E-03 3 0.6282866E-05 4 0.9086747E-06 5 0.4117315E-06 6 0.1569547E-07 7 0.1487016E-08 8 0.4519223E-09 9 0.0000000E+00 v, j, mj = 0 8 1 0 0.9948938E-13 1 0.1175213E-03 2 0.3376023E-03 3 0.8692413E-05 4 0.7303129E-05 5 0.7270162E-06 6 0.4490572E-07 7 0.6157460E-08 8 0.9355238E-09 9 0.0000000E+00 v, j, mj = 0 8 2 0 0.2991368E-12 1 0.1072362E-03 2 0.3063584E-03 3 0.4542907E-05 4 0.1479166E-05 5 0.5962607E-06 6 0.1525986E-07 7 0.9848560E-09 8 0.8243614E-09 9 0.0000000E+00 v, j, mj = 0 8 3 0 0.1737131E-07 1 0.3560381E-05 2 0.1798071E-03 3 0.9025688E-05 4 0.1817071E-05 5 0.2422076E-06 6 0.2657803E-07 7 0.4970816E-08 8 0.1075897E-08 9 0.0000000E+00 v, j, mj = 0 8 4 0 0.4763982E-12 1 0.1178108E-05 2 0.2627647E-04 3 0.1013715E-04 4 0.1006775E-05 5 0.1317185E-06 6 0.6566843E-08 7 0.2368751E-08 8 0.8015319E-09 9 0.0000000E+00 v, j, mj = 0 8 5 0 0.8622310E-12 1 0.4089506E-06 2 0.2221890E-05 3 0.2890294E-05 4 0.6167204E-06 5 0.5821874E-07 6 0.5790734E-08 7 0.2059298E-08 8 0.1241836E-08 9 0.0000000E+00 v, j, mj = 0 8 6 0 0.1183830E-05 1 0.5967006E-06 2 0.7442169E-06 3 0.3807283E-06 4 0.3030157E-06 5 0.7837935E-07 6 0.7014773E-08 7 0.5012259E-08 8 0.1660327E-08 9 0.0000000E+00 v, j, mj = 0 8 7 0 0.2889827E-12 1 0.2181053E-06 2 0.2265598E-07 3 0.1492131E-06 4 0.2327958E-06 5 0.1441707E-06 6 0.8540210E-08 7 0.2696730E-08 8 0.1884590E-09 9 0.0000000E+00 v, j, mj = 0 8 8 0 0.9772026E-12 1 0.2026308E-07 2 0.1095291E-06 3 0.3206294E-06 4 0.6610992E-06 5 0.3590830E-06 6 0.1361711E-07 7 0.1983300E-08 8 0.2038355E-09 9 0.0000000E+00 v, j, mj = 0 10 -10 0 0.1294622E-13 1 0.1316345E-10 2 0.2272254E-10 3 0.7074084E-11 4 0.3400866E-10 5 0.5348769E-10 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 -9 0 0.1507863E-12 1 0.1635040E-11 2 0.1031282E-09 3 0.1256730E-09 4 0.5843674E-10 5 0.6536478E-10 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 -8 0 0.2720225E-14 1 0.5765242E-10 2 0.6499771E-10 3 0.2021324E-09 4 0.2512718E-09 5 0.5012414E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 -7 0 0.4327735E-15 1 0.1344314E-09 2 0.1592187E-08 3 0.1295097E-09 4 0.1151121E-08 5 0.7406629E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 -6 0 0.3713851E-09 1 0.6893890E-09 2 0.1142856E-08 3 0.4912286E-09 4 0.4853605E-09 5 0.3213434E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 -5 0 0.1633971E-14 1 0.5176753E-09 2 0.8866476E-09 3 0.2500285E-08 4 0.1509219E-08 5 0.1819011E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 -4 0 0.5085393E-15 1 0.8739326E-09 2 0.1504539E-07 3 0.8029498E-08 4 0.1443523E-08 5 0.1670622E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 -3 0 0.2470221E-09 1 0.2763785E-07 2 0.1639909E-06 3 0.6025944E-07 4 0.4385426E-08 5 0.9611878E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 -2 0 0.8840755E-15 1 0.3609800E-06 2 0.1185162E-05 3 0.1758834E-06 4 0.5977306E-08 5 0.1539029E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 -1 0 0.4410519E-15 1 0.2762225E-05 2 0.2543233E-05 3 0.2303559E-06 4 0.6250311E-08 5 0.1451973E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 0 0 0.1198394E-05 1 0.4835577E-05 2 0.3113957E-05 3 0.4552209E-06 4 0.2085173E-07 5 0.2175612E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 1 0 0.4647265E-15 1 0.2762225E-05 2 0.2543233E-05 3 0.2303561E-06 4 0.6250275E-08 5 0.1452009E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 2 0 0.3681359E-15 1 0.3609800E-06 2 0.1185162E-05 3 0.1758833E-06 4 0.5977289E-08 5 0.1539016E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 3 0 0.2470246E-09 1 0.2763791E-07 2 0.1639911E-06 3 0.6025970E-07 4 0.4385379E-08 5 0.9611849E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 4 0 0.4525999E-15 1 0.8740561E-09 2 0.1504516E-07 3 0.8029415E-08 4 0.1443510E-08 5 0.1670625E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 5 0 0.2790401E-14 1 0.5176908E-09 2 0.8867162E-09 3 0.2500130E-08 4 0.1509175E-08 5 0.1818988E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 6 0 0.3713892E-09 1 0.6893401E-09 2 0.1143008E-08 3 0.4912577E-09 4 0.4853799E-09 5 0.3213441E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 7 0 0.4072457E-15 1 0.1344189E-09 2 0.1592221E-08 3 0.1294963E-09 4 0.1151121E-08 5 0.7406661E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 8 0 0.1768243E-14 1 0.5779954E-10 2 0.6504894E-10 3 0.2020645E-09 4 0.2513099E-09 5 0.5012576E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 9 0 0.1614049E-12 1 0.1627271E-11 2 0.1034622E-09 3 0.1258765E-09 4 0.5843569E-10 5 0.6535924E-10 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 10 0 0.1166702E-13 1 0.1308974E-10 2 0.2272765E-10 3 0.7079284E-11 4 0.3400856E-10 5 0.5348685E-10 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 0 0 0 0.7202678E-01 1 0.4814774E-02 2 0.4973804E-01 3 0.1432315E-01 4 0.6753806E-02 5 0.2021223E-01 6 0.1936014E-02 7 0.8715213E-05 8 0.2896734E-09 9 0.0000000E+00 v, j, mj = 1 2 -2 0 0.6645614E-10 1 0.4224945E-03 2 0.1986458E-02 3 0.1076207E-02 4 0.8690216E-02 5 0.5853546E-02 6 0.1684271E-03 7 0.1668723E-06 8 0.1104682E-10 9 0.0000000E+00 v, j, mj = 1 2 -1 0 0.3499163E-10 1 0.9541444E-03 2 0.3516402E-01 3 0.1978810E-01 4 0.1123598E-02 5 0.6428257E-03 6 0.6038108E-05 7 0.8627754E-07 8 0.2734678E-10 9 0.0000000E+00 v, j, mj = 1 2 0 0 0.2411198E-01 1 0.2929916E-01 2 0.7636732E-02 3 0.4851633E-02 4 0.9513293E-02 5 0.1359081E-01 6 0.7455885E-03 7 0.1597309E-05 8 0.1644108E-10 9 0.0000000E+00 v, j, mj = 1 2 1 0 0.4190857E-10 1 0.9541508E-03 2 0.3516401E-01 3 0.1978810E-01 4 0.1123597E-02 5 0.6428244E-03 6 0.6038093E-05 7 0.8627776E-07 8 0.2734674E-10 9 0.0000000E+00 v, j, mj = 1 2 2 0 0.4243104E-10 1 0.4224922E-03 2 0.1986461E-02 3 0.1076210E-02 4 0.8690207E-02 5 0.5853540E-02 6 0.1684269E-03 7 0.1668723E-06 8 0.1104679E-10 9 0.0000000E+00 v, j, mj = 1 4 -4 0 0.6791923E-11 1 0.1898992E-04 2 0.8295203E-04 3 0.1941353E-03 4 0.1418733E-03 5 0.5176448E-05 6 0.1940995E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 -3 0 0.2123899E-05 1 0.4623581E-03 2 0.7638820E-03 3 0.2055951E-03 4 0.5890272E-04 5 0.1016748E-05 6 0.5290336E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 -2 0 0.1229639E-10 1 0.1032743E-01 2 0.1382264E-02 3 0.2509894E-03 4 0.4224352E-03 5 0.9362659E-04 6 0.9257818E-06 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 -1 0 0.4938122E-11 1 0.2915381E-01 2 0.4035326E-02 3 0.2450974E-02 4 0.1917373E-03 5 0.2110352E-04 6 0.1531220E-06 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 0 0 0.2881380E-01 1 0.4653376E-02 2 0.4849167E-02 3 0.3909002E-02 4 0.5475629E-03 5 0.2588295E-03 6 0.2550934E-05 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 1 0 0.5345131E-11 1 0.2915380E-01 2 0.4035323E-02 3 0.2450973E-02 4 0.1917370E-03 5 0.2110348E-04 6 0.1531220E-06 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 2 0 0.1023249E-10 1 0.1032743E-01 2 0.1382264E-02 3 0.2509885E-03 4 0.4224350E-03 5 0.9362652E-04 6 0.9257815E-06 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 3 0 0.2122495E-05 1 0.4623591E-03 2 0.7638837E-03 3 0.2055950E-03 4 0.5890256E-04 5 0.1016750E-05 6 0.5290391E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 4 0 0.8632965E-11 1 0.1899044E-04 2 0.8295254E-04 3 0.1941349E-03 4 0.1418738E-03 5 0.5176462E-05 6 0.1941004E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 6 -6 0 0.6408262E-07 1 0.2475775E-06 2 0.5188222E-07 3 0.6350687E-08 4 0.2480960E-07 5 0.1404933E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 6 -5 0 0.8384200E-13 1 0.8793867E-07 2 0.7141818E-07 3 0.4066390E-07 4 0.9932164E-08 5 0.3851310E-10 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 6 -4 0 0.6338580E-14 1 0.1430994E-07 2 0.6857412E-06 3 0.1592257E-06 4 0.5995925E-07 5 0.3178127E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 6 -3 0 0.8861942E-07 1 0.5036431E-05 2 0.7925968E-05 3 0.2727022E-06 4 0.6900380E-07 5 0.2325613E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 6 -2 0 0.4927696E-13 1 0.1664880E-03 2 0.7753654E-04 3 0.1460914E-05 4 0.1173338E-06 5 0.1378120E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 6 -1 0 0.2170423E-14 1 0.8438672E-03 2 0.1007403E-03 3 0.4976977E-06 4 0.1291486E-06 5 0.7173283E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 6 0 0 0.5462137E-03 1 0.8407000E-03 2 0.1910498E-03 3 0.9521311E-05 4 0.2363792E-06 5 0.5003041E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 6 1 0 0.1195989E-14 1 0.8438671E-03 2 0.1007403E-03 3 0.4977012E-06 4 0.1291480E-06 5 0.7173263E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 6 2 0 0.3500741E-13 1 0.1664880E-03 2 0.7753655E-04 3 0.1460907E-05 4 0.1173336E-06 5 0.1378098E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 6 3 0 0.8863801E-07 1 0.5036433E-05 2 0.7925985E-05 3 0.2726953E-06 4 0.6900445E-07 5 0.2325618E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 6 4 0 0.5076875E-14 1 0.1431032E-07 2 0.6857502E-06 3 0.1592271E-06 4 0.5995920E-07 5 0.3178145E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 6 5 0 0.7383940E-13 1 0.8793908E-07 2 0.7141752E-07 3 0.4066380E-07 4 0.9932120E-08 5 0.3851099E-10 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 6 6 0 0.6408155E-07 1 0.2475746E-06 2 0.5188177E-07 3 0.6350707E-08 4 0.2480956E-07 5 0.1404938E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 sum of the probabilities = 0.7377877 average vibrational energy (ev) = 0.385901 average rotational energy (ev) = 0.065836 average diffraction energy (ev) = 0.036560 the reaction probability = 0.2622123D+00 $$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$ total energy = -0.38842735D+01 trans energy = 0.49285714D+00 trans energy in z = 0.49285714D+00 total momentum = 0.11536724D+02 $$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$ ************************************ rotation-diffraction summed probabilities ************************************ v probability av edif av erot 0 0.1476699E+00 0.3822854E-01 0.1299715E+00 1 0.4826077E+00 0.3837211E-01 0.6746382E-01 2 0.1955872E-07 0.7702187E-03 0.0000000E+00 ************************************ diffraction summed probabilities ************************************ v irot j m probability 0 43 0 0 0.2123403E-01 0 31 2 -2 0.3103627E-02 0 37 2 -1 0.1390832E-01 0 44 2 0 0.9023215E-02 0 50 2 1 0.1390830E-01 0 56 2 2 0.3103613E-02 0 21 4 -4 0.1734970E-02 0 26 4 -3 0.3214159E-02 0 32 4 -2 0.4519078E-02 0 38 4 -1 0.1298114E-01 0 45 4 0 0.1008251E-01 0 51 4 1 0.1298113E-01 0 57 4 2 0.4519076E-02 0 62 4 3 0.3214155E-02 0 67 4 4 0.1734966E-02 0 13 6 -6 0.2818297E-03 0 17 6 -5 0.4961801E-03 0 22 6 -4 0.3112113E-03 0 27 6 -3 0.1020111E-02 0 33 6 -2 0.1722096E-02 0 39 6 -1 0.3516549E-02 0 46 6 0 0.8411474E-02 0 52 6 1 0.3516548E-02 0 58 6 2 0.1722097E-02 0 63 6 3 0.1020111E-02 0 68 6 4 0.3112120E-03 0 72 6 5 0.4961791E-03 0 76 6 6 0.2818329E-03 0 7 8 -8 0.2314752E-04 0 10 8 -7 0.1087160E-04 0 14 8 -6 0.1919318E-04 0 18 8 -5 0.3220839E-04 0 23 8 -4 0.1189352E-03 0 28 8 -3 0.4091045E-03 0 34 8 -2 0.6156161E-03 0 40 8 -1 0.7948283E-03 0 47 8 0 0.1088047E-02 0 53 8 1 0.7948285E-03 0 59 8 2 0.6156160E-03 0 64 8 3 0.4091047E-03 0 69 8 4 0.1189352E-03 0 73 8 5 0.3220871E-04 0 77 8 6 0.1919346E-04 0 80 8 7 0.1087127E-04 0 83 8 8 0.2314716E-04 0 3 10 -10 0.1246949E-08 0 5 10 -9 0.1082608E-08 0 8 10 -8 0.3572308E-08 0 11 10 -7 0.1062741E-07 0 15 10 -6 0.1140289E-07 0 19 10 -5 0.8294887E-07 0 24 10 -4 0.6248123E-06 0 29 10 -3 0.5004405E-05 0 35 10 -2 0.1910952E-04 0 41 10 -1 0.3806623E-04 0 48 10 0 0.3850821E-04 0 54 10 1 0.3806624E-04 0 60 10 2 0.1910952E-04 0 65 10 3 0.5004407E-05 0 70 10 4 0.6248130E-06 0 74 10 5 0.8294566E-07 0 78 10 6 0.1140075E-07 0 81 10 7 0.1062910E-07 0 84 10 8 0.3571310E-08 0 86 10 9 0.1085960E-08 0 88 10 10 0.1248507E-08 0 1 12 -12 0.0000000E+00 0 2 12 -11 0.0000000E+00 0 4 12 -10 0.0000000E+00 0 6 12 -9 0.0000000E+00 0 9 12 -8 0.0000000E+00 0 12 12 -7 0.0000000E+00 0 16 12 -6 0.0000000E+00 0 20 12 -5 0.0000000E+00 0 25 12 -4 0.0000000E+00 0 30 12 -3 0.0000000E+00 0 36 12 -2 0.0000000E+00 0 42 12 -1 0.0000000E+00 0 49 12 0 0.0000000E+00 0 55 12 1 0.0000000E+00 0 61 12 2 0.0000000E+00 0 66 12 3 0.0000000E+00 0 71 12 4 0.0000000E+00 0 75 12 5 0.0000000E+00 0 79 12 6 0.0000000E+00 0 82 12 7 0.0000000E+00 0 85 12 8 0.0000000E+00 0 87 12 9 0.0000000E+00 0 89 12 10 0.0000000E+00 0 90 12 11 0.0000000E+00 0 91 12 12 0.0000000E+00 1 43 0 0 0.1530369E+00 1 31 2 -2 0.1699289E-01 1 37 2 -1 0.3256178E-01 1 44 2 0 0.6444891E-01 1 50 2 1 0.3256177E-01 1 56 2 2 0.1699288E-01 1 21 4 -4 0.1437393E-02 1 26 4 -3 0.3016853E-02 1 32 4 -2 0.1232504E-01 1 38 4 -1 0.4216580E-01 1 45 4 0 0.3644292E-01 1 51 4 1 0.4216580E-01 1 57 4 2 0.1232504E-01 1 62 4 3 0.3016853E-02 1 67 4 4 0.1437394E-02 1 13 6 -6 0.4138893E-05 1 17 6 -5 0.1366712E-05 1 22 6 -4 0.8850913E-05 1 27 6 -3 0.1679714E-03 1 33 6 -2 0.1240918E-02 1 39 6 -1 0.3198840E-02 1 46 6 0 0.2435184E-02 1 52 6 1 0.3198840E-02 1 58 6 2 0.1240917E-02 1 63 6 3 0.1679716E-03 1 68 6 4 0.8850934E-05 1 72 6 5 0.1366578E-05 1 76 6 6 0.4138897E-05 1 7 8 -8 0.1264938E-09 1 10 8 -7 0.1423077E-08 1 14 8 -6 0.6177934E-08 1 18 8 -5 0.6261325E-08 1 23 8 -4 0.2917829E-08 1 28 8 -3 0.3534746E-08 1 34 8 -2 0.4052869E-08 1 40 8 -1 0.2404140E-08 1 47 8 0 0.9958050E-07 1 53 8 1 0.2404151E-08 1 59 8 2 0.4052736E-08 1 64 8 3 0.3534810E-08 1 69 8 4 0.2917887E-08 1 73 8 5 0.6261300E-08 1 77 8 6 0.6178009E-08 1 80 8 7 0.1423042E-08 1 83 8 8 0.1264967E-09 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 0.1955872E-07 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 0.5287625E-02 1 0.7536694E-02 2 0.5014487E-02 3 0.2071550E-02 4 0.2499909E-03 5 0.9094446E-03 6 0.1349692E-03 7 0.2742144E-04 8 0.1566379E-05 9 0.2809072E-06 v, j, mj = 0 2 -2 0 0.1635202E-08 1 0.6874883E-04 2 0.3269215E-04 3 0.1144242E-02 4 0.8573134E-03 5 0.7084465E-03 6 0.1608078E-03 7 0.1061437E-03 8 0.2318683E-04 9 0.2043893E-05 v, j, mj = 0 2 -1 0 0.1339846E-09 1 0.8764933E-02 2 0.2995579E-02 3 0.1061913E-02 4 0.3603147E-03 5 0.3269256E-03 6 0.3645061E-03 7 0.3169209E-04 8 0.2412691E-05 9 0.4054888E-07 v, j, mj = 0 2 0 0 0.1573684E-02 1 0.3111743E-02 2 0.9532631E-03 3 0.1873753E-02 4 0.6771969E-03 5 0.5826025E-03 6 0.2310443E-03 7 0.1823194E-04 8 0.1592427E-05 9 0.1034970E-06 v, j, mj = 0 2 1 0 0.1105262E-09 1 0.8764926E-02 2 0.2995570E-02 3 0.1061916E-02 4 0.3603149E-03 5 0.3269254E-03 6 0.3645066E-03 7 0.3169206E-04 8 0.2412634E-05 9 0.4055275E-07 v, j, mj = 0 2 2 0 0.1597029E-08 1 0.6874743E-04 2 0.3268537E-04 3 0.1144240E-02 4 0.8573091E-03 5 0.7084475E-03 6 0.1608074E-03 7 0.1061435E-03 8 0.2318693E-04 9 0.2043904E-05 v, j, mj = 0 4 -4 0 0.6829979E-08 1 0.2696885E-04 2 0.2975120E-03 3 0.3575756E-03 4 0.2930835E-03 5 0.3385317E-03 6 0.2915754E-03 7 0.1155689E-03 8 0.1384289E-04 9 0.3042922E-06 v, j, mj = 0 4 -3 0 0.2362675E-05 1 0.2332812E-03 2 0.1071219E-02 3 0.6014338E-03 4 0.8727333E-03 5 0.3221475E-03 6 0.9624120E-04 7 0.1297276E-04 8 0.1745115E-05 9 0.2224361E-07 v, j, mj = 0 4 -2 0 0.2778610E-08 1 0.9825663E-03 2 0.2199925E-02 3 0.3822532E-03 4 0.3793198E-03 5 0.3773141E-03 6 0.1799332E-03 7 0.1654782E-04 8 0.1160303E-05 9 0.5561696E-07 v, j, mj = 0 4 -1 0 0.1193424E-08 1 0.7880872E-02 2 0.2497963E-02 3 0.1463657E-02 4 0.8539755E-03 5 0.1869338E-03 6 0.7914654E-04 7 0.1787418E-04 8 0.7179400E-06 9 0.2122167E-08 v, j, mj = 0 4 0 0 0.2398135E-02 1 0.5370997E-02 2 0.9902162E-03 3 0.4248849E-03 4 0.5933727E-03 5 0.1904410E-03 6 0.9612252E-04 7 0.1797011E-04 8 0.3683896E-06 9 0.3429283E-08 v, j, mj = 0 4 1 0 0.1234062E-08 1 0.7880867E-02 2 0.2497958E-02 3 0.1463653E-02 4 0.8539793E-03 5 0.1869335E-03 6 0.7914660E-04 7 0.1787428E-04 8 0.7179342E-06 9 0.2122232E-08 v, j, mj = 0 4 2 0 0.2802963E-08 1 0.9825650E-03 2 0.2199925E-02 3 0.3822544E-03 4 0.3793190E-03 5 0.3773131E-03 6 0.1799333E-03 7 0.1654794E-04 8 0.1160317E-05 9 0.5561839E-07 v, j, mj = 0 4 3 0 0.2369841E-05 1 0.2332783E-03 2 0.1071220E-02 3 0.6014246E-03 4 0.8727324E-03 5 0.3221491E-03 6 0.9624122E-04 7 0.1297260E-04 8 0.1745123E-05 9 0.2224346E-07 v, j, mj = 0 4 4 0 0.6716387E-08 1 0.2696857E-04 2 0.2975151E-03 3 0.3575716E-03 4 0.2930781E-03 5 0.3385338E-03 6 0.2915762E-03 7 0.1155690E-03 8 0.1384294E-04 9 0.3042910E-06 v, j, mj = 0 6 -6 0 0.2353393E-05 1 0.1002674E-04 2 0.5280842E-04 3 0.3716025E-04 4 0.4461347E-04 5 0.8413547E-04 6 0.4198923E-04 7 0.8460188E-05 8 0.2806733E-06 9 0.1822812E-08 v, j, mj = 0 6 -5 0 0.4487208E-10 1 0.5070183E-05 2 0.1826030E-03 3 0.1690383E-03 4 0.9800557E-04 5 0.3178125E-04 6 0.7879952E-05 7 0.1766084E-05 8 0.3327490E-07 9 0.2507269E-08 v, j, mj = 0 6 -4 0 0.2397794E-09 1 0.2354437E-04 2 0.1042340E-03 3 0.4016156E-04 4 0.9716927E-04 5 0.4169334E-04 6 0.3490123E-05 7 0.8137091E-06 8 0.1028294E-06 9 0.1838934E-08 v, j, mj = 0 6 -3 0 0.1022287E-05 1 0.2106731E-03 2 0.5165925E-03 3 0.1132136E-03 4 0.1247086E-03 5 0.3931394E-04 6 0.1411327E-04 7 0.4450941E-06 8 0.2796837E-07 9 0.6180074E-09 v, j, mj = 0 6 -2 0 0.1609246E-09 1 0.4889706E-03 2 0.1087923E-02 3 0.7184501E-04 4 0.1937284E-04 5 0.3372744E-04 6 0.1875910E-04 7 0.1478084E-05 8 0.1977752E-07 9 0.9031823E-09 v, j, mj = 0 6 -1 0 0.1233043E-09 1 0.2230523E-02 2 0.9981176E-03 3 0.6153776E-04 4 0.1672415E-03 5 0.5015130E-04 6 0.7634510E-05 7 0.1302150E-05 8 0.4033063E-07 9 0.5137313E-09 v, j, mj = 0 6 0 0 0.1057943E-02 1 0.4239069E-02 2 0.2926899E-02 3 0.1436329E-03 4 0.1585250E-04 5 0.1860692E-04 6 0.8267872E-05 7 0.1171536E-05 8 0.3012611E-07 9 0.1453268E-08 v, j, mj = 0 6 1 0 0.1239648E-09 1 0.2230522E-02 2 0.9981172E-03 3 0.6153772E-04 4 0.1672418E-03 5 0.5015126E-04 6 0.7634499E-05 7 0.1302148E-05 8 0.4033057E-07 9 0.5137393E-09 v, j, mj = 0 6 2 0 0.1638386E-09 1 0.4889707E-03 2 0.1087923E-02 3 0.7184501E-04 4 0.1937286E-04 5 0.3372738E-04 6 0.1875908E-04 7 0.1478085E-05 8 0.1977769E-07 9 0.9031893E-09 v, j, mj = 0 6 3 0 0.1022942E-05 1 0.2106730E-03 2 0.5165916E-03 3 0.1132140E-03 4 0.1247086E-03 5 0.3931395E-04 6 0.1411330E-04 7 0.4450930E-06 8 0.2796768E-07 9 0.6180037E-09 v, j, mj = 0 6 4 0 0.2526162E-09 1 0.2354467E-04 2 0.1042347E-03 3 0.4016105E-04 4 0.9716961E-04 5 0.4169322E-04 6 0.3490079E-05 7 0.8137156E-06 8 0.1028293E-06 9 0.1838901E-08 v, j, mj = 0 6 5 0 0.3510262E-10 1 0.5068863E-05 2 0.1826038E-03 3 0.1690379E-03 4 0.9800632E-04 5 0.3178074E-04 6 0.7879627E-05 7 0.1766068E-05 8 0.3327380E-07 9 0.2507283E-08 v, j, mj = 0 6 6 0 0.2353375E-05 1 0.1002634E-04 2 0.5280914E-04 3 0.3716094E-04 4 0.4461549E-04 5 0.8413583E-04 6 0.4198912E-04 7 0.8460137E-05 8 0.2806715E-06 9 0.1822806E-08 v, j, mj = 0 8 -8 0 0.1413280E-09 1 0.1781557E-05 2 0.6243170E-06 3 0.2147029E-05 4 0.8924641E-05 5 0.8441886E-05 6 0.1210553E-05 7 0.1655910E-07 8 0.8211527E-09 9 0.1376076E-10 v, j, mj = 0 8 -7 0 0.6097087E-11 1 0.9476305E-06 2 0.3771518E-05 3 0.3276466E-05 4 0.1522086E-05 5 0.1140033E-05 6 0.2052884E-06 7 0.7796872E-08 8 0.7517854E-09 9 0.2478913E-10 v, j, mj = 0 8 -6 0 0.3194800E-05 1 0.4000491E-05 2 0.7483263E-05 3 0.2370524E-05 4 0.1342711E-05 5 0.6905341E-06 6 0.1040280E-06 7 0.5403374E-08 8 0.1360408E-08 9 0.6224719E-10 v, j, mj = 0 8 -5 0 0.1279315E-10 1 0.2147609E-05 2 0.1213847E-04 3 0.1069818E-04 4 0.6016350E-05 5 0.1145533E-05 6 0.5988474E-07 7 0.1549389E-08 8 0.7483241E-09 9 0.6423556E-10 v, j, mj = 0 8 -4 0 0.8691891E-12 1 0.3399903E-05 2 0.7808484E-04 3 0.3074772E-04 4 0.5941456E-05 5 0.6864850E-06 6 0.7128407E-07 7 0.2331389E-08 8 0.1068499E-08 9 0.8243698E-10 v, j, mj = 0 8 -3 0 0.7742646E-07 1 0.3236097E-04 2 0.3323410E-03 3 0.3902577E-04 4 0.4537127E-05 5 0.6534117E-06 6 0.1037892E-06 7 0.3896463E-08 8 0.1092600E-08 9 0.7858098E-10 v, j, mj = 0 8 -2 0 0.9378838E-11 1 0.1333236E-03 2 0.4599862E-03 3 0.1984981E-04 4 0.1664668E-05 5 0.5801060E-06 6 0.2085464E-06 7 0.2298005E-08 8 0.7724804E-09 9 0.5977412E-10 v, j, mj = 0 8 -1 0 0.3637085E-12 1 0.1376879E-03 2 0.6229512E-03 3 0.2787097E-04 4 0.4033190E-05 5 0.2108325E-05 6 0.1714656E-06 7 0.4817531E-08 8 0.4180037E-09 9 0.7282070E-10 v, j, mj = 0 8 0 0 0.1586788E-04 1 0.2380658E-03 2 0.7719641E-03 3 0.6114093E-04 4 0.4625588E-06 5 0.4951557E-06 6 0.4429265E-07 7 0.5290501E-08 8 0.5404672E-09 9 0.3445787E-10 v, j, mj = 0 8 1 0 0.3866192E-12 1 0.1376879E-03 2 0.6229513E-03 3 0.2787095E-04 4 0.4033223E-05 5 0.2108314E-05 6 0.1714663E-06 7 0.4817549E-08 8 0.4180084E-09 9 0.7282080E-10 v, j, mj = 0 8 2 0 0.8932011E-11 1 0.1333236E-03 2 0.4599862E-03 3 0.1984980E-04 4 0.1664665E-05 5 0.5801150E-06 6 0.2085474E-06 7 0.2297915E-08 8 0.7724786E-09 9 0.5977435E-10 v, j, mj = 0 8 3 0 0.7748676E-07 1 0.3236096E-04 2 0.3323410E-03 3 0.3902584E-04 4 0.4537131E-05 5 0.6534159E-06 6 0.1037902E-06 7 0.3896435E-08 8 0.1092584E-08 9 0.7858202E-10 v, j, mj = 0 8 4 0 0.1331294E-11 1 0.3399903E-05 2 0.7808494E-04 3 0.3074759E-04 4 0.5941482E-05 5 0.6864789E-06 6 0.7128286E-07 7 0.2331336E-08 8 0.1068518E-08 9 0.8243784E-10 v, j, mj = 0 8 5 0 0.1384415E-10 1 0.2147649E-05 2 0.1213853E-04 3 0.1069834E-04 4 0.6016389E-05 5 0.1145541E-05 6 0.5988333E-07 7 0.1548977E-08 8 0.7483145E-09 9 0.6423542E-10 v, j, mj = 0 8 6 0 0.3194824E-05 1 0.4000376E-05 2 0.7483349E-05 3 0.2370631E-05 4 0.1342860E-05 5 0.6905626E-06 6 0.1040289E-06 7 0.5403488E-08 8 0.1360423E-08 9 0.6224586E-10 v, j, mj = 0 8 7 0 0.5834998E-11 1 0.9476275E-06 2 0.3771505E-05 3 0.3276245E-05 4 0.1521998E-05 5 0.1140033E-05 6 0.2052849E-06 7 0.7796275E-08 8 0.7517882E-09 9 0.2478860E-10 v, j, mj = 0 8 8 0 0.1340933E-09 1 0.1781641E-05 2 0.6241481E-06 3 0.2146867E-05 4 0.8924496E-05 5 0.8441919E-05 6 0.1210559E-05 7 0.1655899E-07 8 0.8211667E-09 9 0.1376052E-10 v, j, mj = 0 10 -10 0 0.7066263E-13 1 0.1402956E-09 2 0.7046812E-09 3 0.1524623E-09 4 0.1111322E-09 5 0.8313722E-10 6 0.5517004E-10 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 -9 0 0.1530620E-10 1 0.6990567E-11 2 0.2822788E-09 3 0.3200076E-09 4 0.2026141E-09 5 0.1145773E-09 6 0.1408335E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 -8 0 0.1065788E-12 1 0.1436912E-09 2 0.1506723E-08 3 0.4262678E-09 4 0.2364649E-09 5 0.8431777E-09 6 0.4158761E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 -7 0 0.6128480E-14 1 0.1258186E-08 2 0.3923001E-08 3 0.8175309E-09 4 0.5471059E-09 5 0.2139980E-08 6 0.1941599E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 -6 0 0.1831269E-08 1 0.2525862E-08 2 0.1239018E-08 3 0.1301044E-08 4 0.8263440E-09 5 0.2393460E-08 6 0.1285894E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 -5 0 0.1533796E-13 1 0.7420378E-09 2 0.4472962E-07 3 0.3028474E-07 4 0.3153310E-08 5 0.2245138E-08 6 0.1794008E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 -4 0 0.4116504E-13 1 0.3049040E-08 2 0.4432399E-06 3 0.1731374E-06 4 0.2904695E-08 5 0.1422707E-08 6 0.1058471E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 -3 0 0.4988469E-10 1 0.5868488E-06 2 0.3738932E-05 3 0.6684740E-06 4 0.7096194E-08 5 0.1516223E-08 6 0.1487833E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 -2 0 0.4725364E-14 1 0.5797541E-05 2 0.1232940E-04 3 0.9752960E-06 4 0.4874348E-08 5 0.1208370E-08 6 0.1204606E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 -1 0 0.2119547E-14 1 0.1842713E-04 2 0.1852298E-04 3 0.1099855E-05 4 0.1281126E-07 5 0.2734903E-08 6 0.7224612E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 0 0 0.2679873E-05 1 0.1502921E-04 2 0.2001734E-04 3 0.7449880E-06 4 0.3222259E-07 5 0.3454488E-08 6 0.1116183E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 1 0 0.6699672E-15 1 0.1842713E-04 2 0.1852298E-04 3 0.1099855E-05 4 0.1281123E-07 5 0.2734896E-08 6 0.7224635E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 2 0 0.2326450E-14 1 0.5797540E-05 2 0.1232940E-04 3 0.9752965E-06 4 0.4874491E-08 5 0.1208351E-08 6 0.1204616E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 3 0 0.5087185E-10 1 0.5868493E-06 2 0.3738931E-05 3 0.6684751E-06 4 0.7096432E-08 5 0.1516234E-08 6 0.1487838E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 4 0 0.5476691E-13 1 0.3049395E-08 2 0.4432407E-06 3 0.1731373E-06 4 0.2904334E-08 5 0.1422692E-08 6 0.1058470E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 5 0 0.9568915E-14 1 0.7409702E-09 2 0.4472765E-07 3 0.3028488E-07 4 0.3153035E-08 5 0.2245108E-08 6 0.1794012E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 6 0 0.1831244E-08 1 0.2526017E-08 2 0.1236172E-08 3 0.1301643E-08 4 0.8263667E-09 5 0.2393411E-08 6 0.1285899E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 7 0 0.1867330E-13 1 0.1258506E-08 2 0.3924558E-08 3 0.8174650E-09 4 0.5469621E-09 5 0.2140003E-08 6 0.1941585E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 8 0 0.5881918E-13 1 0.1436315E-09 2 0.1505997E-08 3 0.4261316E-09 4 0.2364424E-09 5 0.8431681E-09 6 0.4158808E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 9 0 0.1681409E-10 1 0.7003594E-11 2 0.2833804E-09 3 0.3206325E-09 4 0.2027372E-09 5 0.1145608E-09 6 0.1408315E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 10 0 0.8299307E-13 1 0.1412896E-09 2 0.7050654E-09 3 0.1525876E-09 4 0.1111807E-09 5 0.8313321E-10 6 0.5516783E-10 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 0 0 0 0.1010037E+00 1 0.1254990E-01 2 0.1053652E-01 3 0.1580383E-01 4 0.2727473E-02 5 0.4910069E-02 6 0.5368788E-02 7 0.1364481E-03 8 0.1177219E-06 9 0.0000000E+00 v, j, mj = 1 2 -2 0 0.2229108E-08 1 0.2212499E-04 2 0.2354147E-02 3 0.1272620E-02 4 0.1555689E-02 5 0.1014638E-01 6 0.1630340E-02 7 0.1158099E-04 8 0.3075074E-08 9 0.0000000E+00 v, j, mj = 1 2 -1 0 0.7499435E-09 1 0.2864020E-02 2 0.9611834E-02 3 0.1507830E-01 4 0.4284543E-02 5 0.6375367E-03 6 0.8530232E-04 7 0.2374587E-06 8 0.6646922E-08 9 0.0000000E+00 v, j, mj = 1 2 0 0 0.1013741E-01 1 0.2335691E-01 2 0.9245928E-02 3 0.8026319E-02 4 0.3547019E-02 5 0.6930365E-02 6 0.3161803E-02 7 0.4314210E-04 8 0.1785809E-07 9 0.0000000E+00 v, j, mj = 1 2 1 0 0.7323950E-09 1 0.2864023E-02 2 0.9611834E-02 3 0.1507829E-01 4 0.4284540E-02 5 0.6375379E-03 6 0.8530231E-04 7 0.2374578E-06 8 0.6646878E-08 9 0.0000000E+00 v, j, mj = 1 2 2 0 0.2411850E-08 1 0.2212761E-04 2 0.2354140E-02 3 0.1272623E-02 4 0.1555692E-02 5 0.1014638E-01 6 0.1630340E-02 7 0.1158099E-04 8 0.3075081E-08 9 0.0000000E+00 v, j, mj = 1 4 -4 0 0.6676069E-10 1 0.6796040E-04 2 0.2666068E-03 3 0.2732860E-03 4 0.6082587E-03 5 0.2180335E-03 6 0.3237640E-05 7 0.9880426E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 -3 0 0.5152252E-05 1 0.9127248E-03 2 0.1258451E-02 3 0.3053123E-03 4 0.5027191E-03 5 0.3216754E-04 6 0.3158241E-06 7 0.9994786E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 -2 0 0.1318732E-09 1 0.7469233E-02 2 0.3219618E-02 3 0.1072196E-02 4 0.1725364E-03 5 0.3709047E-03 6 0.2053017E-04 7 0.2212586E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 -1 0 0.1419945E-09 1 0.2747343E-01 2 0.1137767E-01 3 0.2624434E-02 4 0.6183313E-03 5 0.6893928E-04 6 0.2986814E-05 7 0.1175572E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 0 0 0.2309321E-01 1 0.5114929E-04 2 0.5183347E-02 3 0.6451597E-02 4 0.1140206E-02 5 0.4809962E-03 6 0.4234379E-04 7 0.6796372E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 1 0 0.1490416E-09 1 0.2747343E-01 2 0.1137767E-01 3 0.2624432E-02 4 0.6183312E-03 5 0.6893936E-04 6 0.2986818E-05 7 0.1175568E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 2 0 0.1382115E-09 1 0.7469229E-02 2 0.3219618E-02 3 0.1072195E-02 4 0.1725369E-03 5 0.3709044E-03 6 0.2053016E-04 7 0.2212570E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 3 0 0.5150935E-05 1 0.9127263E-03 2 0.1258452E-02 3 0.3053126E-03 4 0.5027183E-03 5 0.3216750E-04 6 0.3158242E-06 7 0.9994695E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 4 0 0.6858720E-10 1 0.6796181E-04 2 0.2666084E-03 3 0.2732843E-03 4 0.6082589E-03 5 0.2180332E-03 6 0.3237625E-05 7 0.9880337E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 6 -6 0 0.5561439E-06 1 0.1113539E-07 2 0.2023296E-05 3 0.1470858E-05 4 0.6618871E-07 5 0.1127068E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 6 -5 0 0.4552364E-11 1 0.6183038E-06 2 0.2593124E-06 3 0.3666349E-06 4 0.1110521E-06 5 0.1140400E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 6 -4 0 0.5580005E-11 1 0.1021572E-05 2 0.6581051E-05 3 0.7643564E-06 4 0.4182557E-06 5 0.6567277E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 6 -3 0 0.4170498E-06 1 0.6326066E-04 2 0.1015741E-03 3 0.2404417E-05 4 0.2644100E-06 5 0.5085482E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 6 -2 0 0.2690461E-12 1 0.9641275E-03 2 0.2744730E-03 3 0.1983506E-05 4 0.3046747E-06 5 0.2882439E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 6 -1 0 0.1536890E-12 1 0.3078347E-02 2 0.1175647E-03 3 0.2522426E-05 4 0.3800030E-06 5 0.2605350E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 6 0 0 0.7655468E-03 1 0.1422648E-02 2 0.2127483E-03 3 0.3138497E-04 4 0.2795033E-05 5 0.6171523E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 6 1 0 0.2286010E-12 1 0.3078347E-02 2 0.1175647E-03 3 0.2522410E-05 4 0.3800036E-06 5 0.2605378E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 6 2 0 0.2982183E-12 1 0.9641273E-03 2 0.2744730E-03 3 0.1983524E-05 4 0.3046736E-06 5 0.2882442E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 6 3 0 0.4171105E-06 1 0.6326075E-04 2 0.1015741E-03 3 0.2404434E-05 4 0.2644079E-06 5 0.5085495E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 6 4 0 0.4666154E-11 1 0.1021621E-05 2 0.6581019E-05 3 0.7643571E-06 4 0.4182591E-06 5 0.6567241E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 6 5 0 0.3820542E-11 1 0.6182564E-06 2 0.2592359E-06 3 0.3666244E-06 4 0.1110528E-06 5 0.1140420E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 6 6 0 0.5561430E-06 1 0.1112314E-07 2 0.2023308E-05 3 0.1470863E-05 4 0.6618926E-07 5 0.1127054E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 8 -8 0 0.3061428E-15 1 0.1262326E-09 2 0.2608809E-12 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 8 -7 0 0.1393072E-13 1 0.1419392E-08 2 0.3671218E-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 8 -6 0 0.4391126E-08 1 0.1781327E-08 2 0.5480642E-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 8 -5 0 0.1038799E-14 1 0.6253881E-08 2 0.7443430E-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 8 -4 0 0.6703471E-14 1 0.2911872E-08 2 0.5950985E-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 8 -3 0 0.1793809E-08 1 0.1713607E-08 2 0.2732953E-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 8 -2 0 0.1456519E-14 1 0.4033240E-08 2 0.1962762E-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 8 -1 0 0.5397691E-16 1 0.2314481E-08 2 0.8965908E-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 8 0 0 0.2933197E-07 1 0.6994017E-07 2 0.3083652E-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 8 1 0 0.5218540E-16 1 0.2314493E-08 2 0.8965833E-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 8 2 0 0.1416107E-14 1 0.4033107E-08 2 0.1962783E-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 8 3 0 0.1793786E-08 1 0.1713694E-08 2 0.2733002E-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 8 4 0 0.6585848E-14 1 0.2911929E-08 2 0.5951661E-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 8 5 0 0.9265873E-15 1 0.6253856E-08 2 0.7442682E-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 8 6 0 0.4391213E-08 1 0.1781315E-08 2 0.5481068E-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 8 7 0 0.1415155E-13 1 0.1419356E-08 2 0.3671073E-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 8 8 0 0.2980323E-15 1 0.1262355E-09 2 0.2608783E-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 = 2 0 0 0 0.1773034E-07 1 0.1828387E-08 2 0.0000000E+00 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 sum of the probabilities = 0.6302776 average vibrational energy (ev) = 0.390074 average rotational energy (ev) = 0.082109 average diffraction energy (ev) = 0.038338 the reaction probability = 0.3697224D+00 etrans(icomin)= 0.153164 etrans(icomax)= 0.548542 etrans= 0.550000 CPU TIMES Total computation 307931.9796 (a) ... Propagating the wavefunction 304424.4222 (b) Setup time 2840.5742 Saving the wave function for rerun 190.1247 Calculating averages 12.1492 Calculating and saving BK-coeffs 45.5910 Asymptotic analysis 31.8755 Saving the flux coefficients 0.0000 Flux analysis 0.0000 ----------------------------------------------------- Sum 307544.7367 (a) ... FFTs along X and Y 22893.4441 Kinetic energy operation along Z 53444.9044 Kinetic energy operation along r 52334.1367 Potential energy multiplication 42133.0436 Legengre transforms 106866.8013 Shifting the wavefunction 12973.3525 Kinetic energy multiplications (xy) 2491.1550 Absorbing the wavefunction 3282.4888 Projection formalism 89.1895 Operations on specular grid 0.1745 ----------------------------------------------------- Sum 296508.6904 (b) ... Potential initialisation time 0.0002 Potential setup time 2727.4691 FFTs along X 12984.1209 FFTs along Y 9909.3232 Time spent on FGH for asympwf 0.5861 Ending date and time: Mon Sep 23 14:08:34 CEST 2019