Starting date and time: Sun Oct 20 20:42:07 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 20191020 at 204207.779 *** * 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: F * 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): 0.24000000E+05 * Calculation ends at (aut): 0.48000000E+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 = 0.25033951E-04 secs * Grids are setup! * 5-Mode arrays are allocated! * 4-Mode arrays are allocated! ******************************************************************************** INFO FROM SETTING UP THE INTERACTION POTENTIAL ******************************************************************************** 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 = 0.00000000E+00 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 ******************************************************************************** ******************************************************************************** INFO FROM SETTING UP THE ANALYSIS ******************************************************************************** * 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 0.24000000E+05 0.00037571 18.83551500 1.55724645 0.25196087E-04 0.24050000E+05 0.00036563 18.83067994 1.55664354 0.24499639E-04 0.24100000E+05 0.00035585 18.82573242 1.55676846 0.23824452E-04 0.24150000E+05 0.00034636 18.82067154 1.55755218 0.23170752E-04 0.24200000E+05 0.00033715 18.81549658 1.55839687 0.22538298E-04 0.24250000E+05 0.00032821 18.81020692 1.55866060 0.21926631E-04 0.24300000E+05 0.00031953 18.80480201 1.55817703 0.21335262E-04 0.24350000E+05 0.00031110 18.79928132 1.55734142 0.20763719E-04 0.24400000E+05 0.00030292 18.79364423 1.55677912 0.20211280E-04 0.24450000E+05 0.00029497 18.78788995 1.55690242 0.19676842E-04 0.24500000E+05 0.00028726 18.78201745 1.55762902 0.19158790E-04 0.24550000E+05 0.00027977 18.77602539 1.55841692 0.18655209E-04 0.24600000E+05 0.00027250 18.76991207 1.55867475 0.18164277E-04 0.24650000E+05 0.00026543 18.76367548 1.55824852 0.17684633E-04 0.24700000E+05 0.00025857 18.75731337 1.55751129 0.17215742E-04 0.24750000E+05 0.00025191 18.75082328 1.55702441 0.16757781E-04 0.24800000E+05 0.00024544 18.74420269 1.55712259 0.16311430E-04 0.24850000E+05 0.00023915 18.73744907 1.55771467 0.15877353E-04 0.24900000E+05 0.00023304 18.73056001 1.55836419 0.15455894E-04 0.24950000E+05 0.00022711 18.72353321 1.55859884 0.15047012E-04 0.25000000E+05 0.00022134 18.71636653 1.55828621 0.14650375E-04 0.25050000E+05 0.00021574 18.70905795 1.55772643 0.14265679E-04 0.25100000E+05 0.00021030 18.70160556 1.55736471 0.13892670E-04 0.25150000E+05 0.00020501 18.69400742 1.55743818 0.13531187E-04 0.25200000E+05 0.00019986 18.68626154 1.55784937 0.13180984E-04 0.25250000E+05 0.00019487 18.67836576 1.55828898 0.12841675E-04 0.25300000E+05 0.00019001 18.67031766 1.55845898 0.12512728E-04 0.25350000E+05 0.00018529 18.66211458 1.55828214 0.12193569E-04 0.25400000E+05 0.00018070 18.65375356 1.55795771 0.11883634E-04 0.25450000E+05 0.00017624 18.64523147 1.55776864 0.11582416E-04 0.25500000E+05 0.00017190 18.63654505 1.55783473 0.11289443E-04 0.25550000E+05 0.00016768 18.62769106 1.55805554 0.11004249E-04 0.25600000E+05 0.00016358 18.61866642 1.55824816 0.10726433E-04 0.25650000E+05 0.00015959 18.60946832 1.55830603 0.10455586E-04 0.25700000E+05 0.00015572 18.60009426 1.55824584 0.10191391E-04 0.25750000E+05 0.00015194 18.59054209 1.55817344 0.99335138E-05 0.25800000E+05 0.00014828 18.58081000 1.55818562 0.96816689E-05 0.25850000E+05 0.00014471 18.57089646 1.55827015 0.94356465E-05 0.25900000E+05 0.00014124 18.56080020 1.55832329 0.91953882E-05 0.25950000E+05 0.00013786 18.55052011 1.55827687 0.89610499E-05 0.26000000E+05 0.00013458 18.54005519 1.55819267 0.87329423E-05 0.26050000E+05 0.00013139 18.52940445 1.55820004 0.85114242E-05 0.26100000E+05 0.00012828 18.51856684 1.55834973 0.82967363E-05 0.26150000E+05 0.00012526 18.50754115 1.55856464 0.80889180E-05 0.26200000E+05 0.00012232 18.49632602 1.55869581 0.78877578E-05 0.26250000E+05 0.00011946 18.48491987 1.55863083 0.76929523E-05 0.26300000E+05 0.00011667 18.47332097 1.55839507 0.75041478E-05 0.26350000E+05 0.00011396 18.46152746 1.55817454 0.73210857E-05 0.26400000E+05 0.00011133 18.44953739 1.55819252 0.71435698E-05 0.26450000E+05 0.00010876 18.43734876 1.55849479 0.69714416E-05 0.26500000E+05 0.00010627 18.42495951 1.55888155 0.68045604E-05 0.26550000E+05 0.00010383 18.41236755 1.55908241 0.66427056E-05 0.26600000E+05 0.00010147 18.39957081 1.55896522 0.64856454E-05 0.26650000E+05 0.00009916 18.38656719 1.55861900 0.63330380E-05 0.26700000E+05 0.00009692 18.37335457 1.55830185 0.61844900E-05 0.26750000E+05 0.00009474 18.35993083 1.55828681 0.60395135E-05 0.26800000E+05 0.00009261 18.34629374 1.55864408 0.58976004E-05 0.26850000E+05 0.00009054 18.33244098 1.55913466 0.57583044E-05 0.26900000E+05 0.00008853 18.31837006 1.55940691 0.56213048E-05 0.26950000E+05 0.00008656 18.30407841 1.55929922 0.54864881E-05 0.27000000E+05 0.00008465 18.28956331 1.55892745 0.53539441E-05 0.27050000E+05 0.00008279 18.27482201 1.55857010 0.52239592E-05 0.27100000E+05 0.00008098 18.25985171 1.55850057 0.50969478E-05 0.27150000E+05 0.00007922 18.24464966 1.55881400 0.49733937E-05 0.27200000E+05 0.00007750 18.22921320 1.55931350 0.48537664E-05 0.27250000E+05 0.00007582 18.21353978 1.55963748 0.47384610E-05 0.27300000E+05 0.00007419 18.19762710 1.55958999 0.46276975E-05 0.27350000E+05 0.00007260 18.18147311 1.55927515 0.45215100E-05 0.27400000E+05 0.00007105 18.16507610 1.55894672 0.44197045E-05 0.27450000E+05 0.00006954 18.14843469 1.55883447 0.43218995E-05 0.27500000E+05 0.00006807 18.13154777 1.55904132 0.42275841E-05 0.27550000E+05 0.00006664 18.11441445 1.55945852 0.41361793E-05 0.27600000E+05 0.00006524 18.09703394 1.55979854 0.40471456E-05 0.27650000E+05 0.00006388 18.07940550 1.55984623 0.39599650E-05 0.27700000E+05 0.00006255 18.06152834 1.55965585 0.38742292E-05 0.27750000E+05 0.00006125 18.04340161 1.55942331 0.37895949E-05 0.27800000E+05 0.00005999 18.02502429 1.55930420 0.37058469E-05 0.27850000E+05 0.00005876 18.00639512 1.55938179 0.36228803E-05 0.27900000E+05 0.00005756 17.98751257 1.55964450 0.35407340E-05 0.27950000E+05 0.00005639 17.96837475 1.55993948 0.34595847E-05 0.28000000E+05 0.00005525 17.94897938 1.56007963 0.33796832E-05 0.28050000E+05 0.00005414 17.92932378 1.56004444 0.33013225E-05 0.28100000E+05 0.00005306 17.90940488 1.55994829 0.32247751E-05 0.28150000E+05 0.00005200 17.88921929 1.55986198 0.31502823E-05 0.28200000E+05 0.00005097 17.86876329 1.55982244 0.30780158E-05 0.28250000E+05 0.00004997 17.84803294 1.55989340 0.30080812E-05 0.28300000E+05 0.00004899 17.82702420 1.56008011 0.29404950E-05 0.28350000E+05 0.00004803 17.80573307 1.56027665 0.28751982E-05 0.28400000E+05 0.00004710 17.78415578 1.56039765 0.28120598E-05 0.28450000E+05 0.00004619 17.76228910 1.56045568 0.27509424E-05 0.28500000E+05 0.00004530 17.74013051 1.56044391 0.26917273E-05 0.28550000E+05 0.00004444 17.71767846 1.56033794 0.26343293E-05 0.28600000E+05 0.00004359 17.69493245 1.56023194 0.25786965E-05 0.28650000E+05 0.00004277 17.67189309 1.56027273 0.25247711E-05 0.28700000E+05 0.00004196 17.64856212 1.56047349 0.24725040E-05 0.28750000E+05 0.00004117 17.62494228 1.56072585 0.24218053E-05 0.28800000E+05 0.00004041 17.60103714 1.56094046 0.23725764E-05 0.28850000E+05 0.00003966 17.57685091 1.56104022 0.23246684E-05 0.28900000E+05 0.00003893 17.55238813 1.56094179 0.22778915E-05 0.28950000E+05 0.00003821 17.52765321 1.56071586 0.22319975E-05 0.29000000E+05 0.00003752 17.50265006 1.56059828 0.21867205E-05 0.29050000E+05 0.00003684 17.47738161 1.56073651 0.21418135E-05 0.29100000E+05 0.00003618 17.45184950 1.56105853 0.20970805E-05 0.29150000E+05 0.00003553 17.42605373 1.56140425 0.20524160E-05 0.29200000E+05 0.00003490 17.39999257 1.56163028 0.20077983E-05 0.29250000E+05 0.00003428 17.37366248 1.56160444 0.19633332E-05 0.29300000E+05 0.00003368 17.34705813 1.56133275 0.19191885E-05 0.29350000E+05 0.00003309 17.32017260 1.56106587 0.18756465E-05 0.29400000E+05 0.00003251 17.29299769 1.56107078 0.18330228E-05 0.29450000E+05 0.00003195 17.26552446 1.56137109 0.17916685E-05 0.29500000E+05 0.00003140 17.23774384 1.56179546 0.17518984E-05 0.29550000E+05 0.00003087 17.20964741 1.56214541 0.17139649E-05 0.29600000E+05 0.00003034 17.18122821 1.56224358 0.16780393E-05 0.29650000E+05 0.00002983 17.15248136 1.56201313 0.16441718E-05 0.29700000E+05 0.00002933 17.12340469 1.56164356 0.16122946E-05 0.29750000E+05 0.00002884 17.09399911 1.56147726 0.15822331E-05 0.29800000E+05 0.00002836 17.06426891 1.56167213 0.15537011E-05 0.29850000E+05 0.00002789 17.03422182 1.56211733 0.15263626E-05 0.29900000E+05 0.00002744 17.00386882 1.56258873 0.14998282E-05 0.29950000E+05 0.00002699 16.97322381 1.56285841 0.14737335E-05 0.30000000E+05 0.00002655 16.94230301 1.56276275 0.14477361E-05 0.30050000E+05 0.00002613 16.91112410 1.56237614 0.14215589E-05 0.30100000E+05 0.00002571 16.87970527 1.56204514 0.13950175E-05 0.30150000E+05 0.00002531 16.84806410 1.56207137 0.13680204E-05 0.30200000E+05 0.00002491 16.81621658 1.56246589 0.13405828E-05 0.30250000E+05 0.00002452 16.78417607 1.56302749 0.13128020E-05 0.30300000E+05 0.00002414 16.75195260 1.56347881 0.12848445E-05 0.30350000E+05 0.00002377 16.71955223 1.56356749 0.12569339E-05 0.30400000E+05 0.00002341 16.68697671 1.56323784 0.12293070E-05 0.30450000E+05 0.00002306 16.65422335 1.56277112 0.12022191E-05 0.30500000E+05 0.00002272 16.62128525 1.56258045 0.11758923E-05 0.30550000E+05 0.00002238 16.58815173 1.56284111 0.11505145E-05 0.30600000E+05 0.00002205 16.55480917 1.56342285 0.11262009E-05 0.30650000E+05 0.00002173 16.52124194 1.56402306 0.11030155E-05 0.30700000E+05 0.00002141 16.48743360 1.56430083 0.10809604E-05 0.30750000E+05 0.00002110 16.45336810 1.56407826 0.10599955E-05 0.30800000E+05 0.00002080 16.41903092 1.56353452 0.10400285E-05 0.30850000E+05 0.00002051 16.38441022 1.56312972 0.10209387E-05 0.30900000E+05 0.00002022 16.34949789 1.56321126 0.10025783E-05 0.30950000E+05 0.00001993 16.31429032 1.56376117 0.98479411E-06 0.31000000E+05 0.00001965 16.27878901 1.56448383 0.96745145E-06 0.31050000E+05 0.00001938 16.24300081 1.56496813 0.95044830E-06 0.31100000E+05 0.00001911 16.20693795 1.56491664 0.93371452E-06 0.31150000E+05 0.00001885 16.17061762 1.56439135 0.91720237E-06 0.31200000E+05 0.00001860 16.13406134 1.56383110 0.90088781E-06 0.31250000E+05 0.00001835 16.09729404 1.56371716 0.88477308E-06 0.31300000E+05 0.00001810 16.06034299 1.56418492 0.86887149E-06 0.31350000E+05 0.00001786 16.02323644 1.56498058 0.85321766E-06 0.31400000E+05 0.00001763 15.98600233 1.56565598 0.83784642E-06 0.31450000E+05 0.00001740 15.94866685 1.56580607 0.82278595E-06 0.31500000E+05 0.00001718 15.91125313 1.56536536 0.80804368E-06 0.31550000E+05 0.00001696 15.87378009 1.56470444 0.79361161E-06 0.31600000E+05 0.00001675 15.83626149 1.56437580 0.77948136E-06 0.31650000E+05 0.00001654 15.79870534 1.56467720 0.76562794E-06 0.31700000E+05 0.00001634 15.76111353 1.56545374 0.75202532E-06 0.31750000E+05 0.00001614 15.72348189 1.56625050 0.73864060E-06 0.31800000E+05 0.00001594 15.68580062 1.56658793 0.72544019E-06 0.31850000E+05 0.00001575 15.64805504 1.56626939 0.71239499E-06 0.31900000E+05 0.00001557 15.61022665 1.56556806 0.69948725E-06 0.31950000E+05 0.00001538 15.57229445 1.56504625 0.68671465E-06 0.32000000E+05 0.00001520 15.53423645 1.56513718 0.67408452E-06 0.32050000E+05 0.00001503 15.49603115 1.56582613 0.66159469E-06 0.32100000E+05 0.00001486 15.45765908 1.56669990 0.64925543E-06 0.32150000E+05 0.00001469 15.41910413 1.56723211 0.63706909E-06 0.32200000E+05 0.00001452 15.38035479 1.56710904 0.62504921E-06 0.32250000E+05 0.00001436 15.34140500 1.56647121 0.61320587E-06 0.32300000E+05 0.00001420 15.30225475 1.56583732 0.60155235E-06 0.32350000E+05 0.00001404 15.26291033 1.56572640 0.59009666E-06 0.32400000E+05 0.00001389 15.22338414 1.56628112 0.57883821E-06 0.32450000E+05 0.00001374 15.18369422 1.56718249 0.56778252E-06 0.32500000E+05 0.00001359 15.14386334 1.56789078 0.55694620E-06 0.32550000E+05 0.00001345 15.10391800 1.56799514 0.54635340E-06 0.32600000E+05 0.00001330 15.06388717 1.56749094 0.53603144E-06 0.32650000E+05 0.00001316 15.02380108 1.56680708 0.52600575E-06 0.32700000E+05 0.00001303 14.98368999 1.56649981 0.51629899E-06 0.32750000E+05 0.00001289 14.94358306 1.56685843 0.50692509E-06 0.32800000E+05 0.00001276 14.90350729 1.56770006 0.49789730E-06 0.32850000E+05 0.00001263 14.86348653 1.56851088 0.48922847E-06 0.32900000E+05 0.00001251 14.82354085 1.56880105 0.48092250E-06 0.32950000E+05 0.00001239 14.78368603 1.56843790 0.47296558E-06 0.33000000E+05 0.00001226 14.74393342 1.56774211 0.46533206E-06 0.33050000E+05 0.00001215 14.70429016 1.56726783 0.45798841E-06 0.33100000E+05 0.00001203 14.66475947 1.56741275 0.45089394E-06 0.33150000E+05 0.00001192 14.62534118 1.56814054 0.44400815E-06 0.33200000E+05 0.00001181 14.58603222 1.56900080 0.43728852E-06 0.33250000E+05 0.00001170 14.54682709 1.56945026 0.43069004E-06 0.33300000E+05 0.00001159 14.50771844 1.56923692 0.42416308E-06 0.33350000E+05 0.00001149 14.46869756 1.56858167 0.41766009E-06 0.33400000E+05 0.00001139 14.42975492 1.56800673 0.41114690E-06 0.33450000E+05 0.00001129 14.39088071 1.56797834 0.40459445E-06 0.33500000E+05 0.00001119 14.35206523 1.56859085 0.39798342E-06 0.33550000E+05 0.00001109 14.31329940 1.56948781 0.39130114E-06 0.33600000E+05 0.00001100 14.27457494 1.57010654 0.38454264E-06 0.33650000E+05 0.00001091 14.23588464 1.57008236 0.37771098E-06 0.33700000E+05 0.00001082 14.19722249 1.56951647 0.37081769E-06 0.33750000E+05 0.00001073 14.15858372 1.56888567 0.36389100E-06 0.33800000E+05 0.00001064 14.11996492 1.56868947 0.35696243E-06 0.33850000E+05 0.00001056 14.08136414 1.56913686 0.35006590E-06 0.33900000E+05 0.00001047 14.04278107 1.56999544 0.34323625E-06 0.33950000E+05 0.00001039 14.00421725 1.57073053 0.33650842E-06 0.34000000E+05 0.00001031 13.96567612 1.57089194 0.32992038E-06 0.34050000E+05 0.00001023 13.92716328 1.57044339 0.32350552E-06 0.34100000E+05 0.00001015 13.88868640 1.56978171 0.31729757E-06 0.34150000E+05 0.00001008 13.85025533 1.56941940 0.31132248E-06 0.34200000E+05 0.00001000 13.81188190 1.56964862 0.30559253E-06 0.34250000E+05 0.00000993 13.77357988 1.57037652 0.30011520E-06 0.34300000E+05 0.00000985 13.73536469 1.57114962 0.29489171E-06 0.34350000E+05 0.00000978 13.69725314 1.57146988 0.28991999E-06 0.34400000E+05 0.00000971 13.65926302 1.57117644 0.28519248E-06 0.34450000E+05 0.00000964 13.62141277 1.57055288 0.28069520E-06 0.34500000E+05 0.00000958 13.58372096 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0.00000555 9.75769504 1.58067564 0.17275553E-07 0.47100000E+05 0.00000555 9.75584764 1.58056210 0.17070599E-07 0.47150000E+05 0.00000555 9.75400810 1.57981997 0.16863006E-07 0.47200000E+05 0.00000554 9.75218082 1.57893703 0.16653921E-07 0.47250000E+05 0.00000554 9.75037000 1.57862191 0.16444447E-07 0.47300000E+05 0.00000554 9.74857955 1.57913139 0.16236237E-07 0.47350000E+05 0.00000553 9.74681311 1.58001700 0.16031196E-07 0.47400000E+05 0.00000553 9.74507414 1.58063349 0.15831802E-07 0.47450000E+05 0.00000553 9.74336600 1.58061103 0.15640565E-07 0.47500000E+05 0.00000552 9.74169186 1.57994555 0.15459201E-07 0.47550000E+05 0.00000552 9.74005442 1.57904442 0.15289702E-07 0.47600000E+05 0.00000552 9.73845577 1.57860318 0.15133446E-07 0.47650000E+05 0.00000551 9.73689728 1.57901380 0.14992335E-07 0.47700000E+05 0.00000551 9.73537982 1.57992511 0.14868235E-07 0.47750000E+05 0.00000551 9.73390384 1.58064129 0.14763275E-07 0.47800000E+05 0.00000550 9.73246962 1.58072488 0.14679041E-07 0.47850000E+05 0.00000550 9.73107720 1.58014323 0.14616397E-07 0.47900000E+05 0.00000550 9.72972625 1.57924526 0.14576393E-07 0.47950000E+05 0.00000549 9.72841587 1.57868999 0.14559089E-07 0.48000000E+05 0.00000549 9.72714459 1.57897620 0.14565081E-07 ************************************************************************ info from reading or writing asymptotic info ************************************************************************ # timesteps for which bk coefs available is: 960 # data used, ndused = 960 effective prop.time, spectral resolution (mev) = 48000.0000 0.1780982E+01 meaningful results in kin energy range (ev) 0.001781 1.709743 results will be obtained for nen95 energies,nen95 = 224 ************************************************************************ info from gtaife ************************************************************************ ************************************************************************ info from probaf ************************************************************************ # of data skipped in between data in next printout = 0 idat ekin(ev) preact phase 1 0.1513835 0.001103 -1.48233 2 0.1531644 0.001377 -1.69951 3 0.1549454 0.001453 -1.91436 4 0.1567264 0.001619 -2.12775 5 0.1585074 0.001271 -2.33983 6 0.1602884 0.000997 -2.55041 7 0.1620694 0.001428 -2.76034 8 0.1638503 0.001603 -2.96929 9 0.1656313 0.001475 3.10651 10 0.1674123 0.001419 2.90007 11 0.1691933 0.001094 2.69446 12 0.1709743 0.001068 2.48918 13 0.1727553 0.001437 2.28326 14 0.1745362 0.001383 2.07745 15 0.1763172 0.001248 1.87230 16 0.1780982 0.001171 1.66762 17 0.1798792 0.000864 1.46389 18 0.1816602 0.000969 1.26062 19 0.1834411 0.001265 1.05733 20 0.1852221 0.001134 0.85495 21 0.1870031 0.001030 0.65398 22 0.1887841 0.000915 0.45522 23 0.1905651 0.000737 0.25964 24 0.1923461 0.000916 0.06704 25 0.1941270 0.001030 -0.12227 26 0.1959080 0.000915 -0.30764 27 0.1976890 0.000843 -0.48896 28 0.1994700 0.000640 -0.66538 29 0.2012510 0.000597 -0.83656 30 0.2030319 0.000822 -1.00284 31 0.2048129 0.000889 -1.16395 32 0.2065939 0.000896 -1.32018 33 0.2083749 0.000790 -1.47189 34 0.2101559 0.000578 -1.61890 35 0.2119369 0.000661 -1.76173 36 0.2137178 0.000811 -1.90074 37 0.2154988 0.000894 -2.03596 38 0.2172798 0.000947 -2.16797 39 0.2190608 0.000733 -2.29700 40 0.2208418 0.000606 -2.42326 41 0.2226227 0.000700 -2.54746 42 0.2244037 0.000755 -2.66979 43 0.2261847 0.000925 -2.79051 44 0.2279657 0.000921 -2.91010 45 0.2297467 0.000692 -3.02853 46 0.2315277 0.000678 3.13699 47 0.2333086 0.000661 3.01963 48 0.2350896 0.000712 2.90251 49 0.2368706 0.000897 2.78516 50 0.2386516 0.000785 2.66736 51 0.2404326 0.000670 2.54906 52 0.2422135 0.000645 2.42972 53 0.2439945 0.000551 2.30919 54 0.2457755 0.000702 2.18730 55 0.2475565 0.000797 2.06363 56 0.2493375 0.000735 1.93830 57 0.2511185 0.000777 1.81104 58 0.2528994 0.000652 1.68161 59 0.2546804 0.000625 1.55019 60 0.2564614 0.000796 1.41655 61 0.2582424 0.000817 1.28099 62 0.2600234 0.000942 1.14405 63 0.2618043 0.001009 1.00589 64 0.2635853 0.000917 0.86731 65 0.2653663 0.001018 0.72881 66 0.2671473 0.001069 0.59078 67 0.2689283 0.001157 0.45418 68 0.2707093 0.001390 0.31931 69 0.2724902 0.001441 0.18677 70 0.2742712 0.001549 0.05713 71 0.2760522 0.001689 -0.06970 72 0.2778332 0.001748 -0.19335 73 0.2796142 0.001996 -0.31393 74 0.2813952 0.002225 -0.43174 75 0.2831761 0.002451 -0.54666 76 0.2849571 0.002767 -0.65927 77 0.2867381 0.002952 -0.76979 78 0.2885191 0.003205 -0.87835 79 0.2903001 0.003521 -0.98558 80 0.2920810 0.003835 -1.09147 81 0.2938620 0.004314 -1.19644 82 0.2956430 0.004756 -1.30096 83 0.2974240 0.005175 -1.40502 84 0.2992050 0.005653 -1.50916 85 0.3009860 0.006099 -1.61349 86 0.3027669 0.006673 -1.71801 87 0.3045479 0.007311 -1.82311 88 0.3063289 0.007973 -1.92854 89 0.3081099 0.008721 -2.03442 90 0.3098909 0.009430 -2.14086 91 0.3116718 0.010197 -2.24744 92 0.3134528 0.011044 -2.35436 93 0.3152338 0.011935 -2.46122 94 0.3170148 0.012971 -2.56765 95 0.3187958 0.014052 -2.67361 96 0.3205768 0.015205 -2.77840 97 0.3223577 0.016441 -2.88189 98 0.3241387 0.017690 -2.98380 99 0.3259197 0.019062 -3.08356 100 0.3277007 0.020507 3.10186 101 0.3294817 0.022041 3.00652 102 0.3312626 0.023720 2.91362 103 0.3330436 0.025466 2.82297 104 0.3348246 0.027336 2.73491 105 0.3366056 0.029273 2.64907 106 0.3383866 0.031272 2.56552 107 0.3401676 0.033413 2.48425 108 0.3419485 0.035637 2.40476 109 0.3437295 0.038010 2.32712 110 0.3455105 0.040489 2.25084 111 0.3472915 0.043004 2.17558 112 0.3490725 0.045619 2.10134 113 0.3508534 0.048277 2.02754 114 0.3526344 0.051054 1.95419 115 0.3544154 0.053984 1.88109 116 0.3561964 0.057017 1.80777 117 0.3579774 0.060202 1.73437 118 0.3597584 0.063455 1.66038 119 0.3615393 0.066799 1.58566 120 0.3633203 0.070270 1.51016 121 0.3651013 0.073819 1.43330 122 0.3668823 0.077530 1.35529 123 0.3686633 0.081352 1.27585 124 0.3704442 0.085291 1.19491 125 0.3722252 0.089406 1.11295 126 0.3740062 0.093646 1.02967 127 0.3757872 0.098086 0.94561 128 0.3775682 0.102693 0.86090 129 0.3793492 0.107425 0.77549 130 0.3811301 0.112312 0.69006 131 0.3829111 0.117268 0.60437 132 0.3846921 0.122318 0.51890 133 0.3864731 0.127435 0.43401 134 0.3882541 0.132576 0.34959 135 0.3900351 0.137776 0.26641 136 0.3918160 0.142980 0.18427 137 0.3935970 0.148227 0.10336 138 0.3953780 0.153518 0.02388 139 0.3971590 0.158828 -0.05476 140 0.3989400 0.164176 -0.13217 141 0.4007209 0.169485 -0.20875 142 0.4025019 0.174756 -0.28453 143 0.4042829 0.179973 -0.35911 144 0.4060639 0.185118 -0.43298 145 0.4078449 0.190250 -0.50563 146 0.4096259 0.195326 -0.57730 147 0.4114068 0.200371 -0.64813 148 0.4131878 0.205372 -0.71771 149 0.4149688 0.210290 -0.78653 150 0.4167498 0.215186 -0.85412 151 0.4185308 0.220017 -0.92048 152 0.4203117 0.224803 -0.98574 153 0.4220927 0.229539 -1.04928 154 0.4238737 0.234141 -1.11152 155 0.4256547 0.238644 -1.17205 156 0.4274357 0.243003 -1.23080 157 0.4292167 0.247239 -1.28803 158 0.4309976 0.251417 -1.34320 159 0.4327786 0.255501 -1.39669 160 0.4345596 0.259544 -1.44826 161 0.4363406 0.263523 -1.49778 162 0.4381216 0.267417 -1.54567 163 0.4399025 0.271279 -1.59154 164 0.4416835 0.275068 -1.63593 165 0.4434645 0.278803 -1.67893 166 0.4452455 0.282476 -1.72050 167 0.4470265 0.286032 -1.76120 168 0.4488075 0.289518 -1.80066 169 0.4505884 0.292939 -1.83924 170 0.4523694 0.296334 -1.87702 171 0.4541504 0.299768 -1.91380 172 0.4559314 0.303204 -1.95020 173 0.4577124 0.306645 -1.98597 174 0.4594933 0.310057 -2.02143 175 0.4612743 0.313399 -2.05685 176 0.4630553 0.316727 -2.09194 177 0.4648363 0.320029 -2.12725 178 0.4666173 0.323322 -2.16245 179 0.4683983 0.326618 -2.19769 180 0.4701792 0.329845 -2.23312 181 0.4719602 0.333044 -2.26830 182 0.4737412 0.336203 -2.30370 183 0.4755222 0.339341 -2.33902 184 0.4773032 0.342527 -2.37435 185 0.4790841 0.345693 -2.41004 186 0.4808651 0.348866 -2.44568 187 0.4826461 0.352004 -2.48176 188 0.4844271 0.355071 -2.51796 189 0.4862081 0.358148 -2.55425 190 0.4879891 0.361191 -2.59090 191 0.4897700 0.364269 -2.62739 192 0.4915510 0.367359 -2.66416 193 0.4933320 0.370383 -2.70090 194 0.4951130 0.373394 -2.73748 195 0.4968940 0.376299 -2.77419 196 0.4986750 0.379172 -2.81044 197 0.5004559 0.382036 -2.84669 198 0.5022369 0.384833 -2.88269 199 0.5040179 0.387645 -2.91834 200 0.5057989 0.390341 -2.95400 201 0.5075799 0.392960 -2.98908 202 0.5093608 0.395516 -3.02400 203 0.5111418 0.397949 -3.05853 204 0.5129228 0.400395 -3.09254 205 0.5147038 0.402730 -3.12651 206 0.5164848 0.404983 3.12329 207 0.5182658 0.407135 3.08996 208 0.5200467 0.409067 3.05693 209 0.5218277 0.410938 3.02435 210 0.5236087 0.412648 2.99177 211 0.5253897 0.414284 2.95981 212 0.5271707 0.415873 2.92789 213 0.5289516 0.417261 2.89625 214 0.5307326 0.418570 2.86502 215 0.5325136 0.419633 2.83374 216 0.5342946 0.420525 2.80307 217 0.5360756 0.421311 2.77246 218 0.5378566 0.421875 2.74218 219 0.5396375 0.422387 2.71236 220 0.5414185 0.422656 2.68251 221 0.5431995 0.422717 2.65336 222 0.5449805 0.422603 2.62431 223 0.5467615 0.422192 2.59573 224 0.5485424 0.421733 2.56775 ******************************************************************************** PRINTING SCATTERING AND REACTION PROBABILITIES ******************************************************************************** etrans(icomin)= 0.151383 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 0.6070919E-02 0.1847782E-01 0.1399431E+00 1 0.9930655E+00 0.1325779E-01 0.1544002E-01 2 0.0000000E+00 0.0000000E+00 0.0000000E+00 ************************************ diffraction summed probabilities ************************************ v irot j m probability 0 43 0 0 0.6556263E-03 0 31 2 -2 0.1149748E-04 0 37 2 -1 0.1470187E-03 0 44 2 0 0.7051831E-03 0 50 2 1 0.1470187E-03 0 56 2 2 0.1149745E-04 0 21 4 -4 0.2731643E-06 0 26 4 -3 0.4610958E-06 0 32 4 -2 0.6858717E-05 0 38 4 -1 0.3141978E-03 0 45 4 0 0.2622322E-02 0 51 4 1 0.3141978E-03 0 57 4 2 0.6858714E-05 0 62 4 3 0.4610809E-06 0 67 4 4 0.2731811E-06 0 13 6 -6 0.1981016E-06 0 17 6 -5 0.1695501E-06 0 22 6 -4 0.1628230E-06 0 27 6 -3 0.5123106E-06 0 33 6 -2 0.7512571E-05 0 39 6 -1 0.1228733E-03 0 46 6 0 0.8315265E-03 0 52 6 1 0.1228733E-03 0 58 6 2 0.7512570E-05 0 63 6 3 0.5122915E-06 0 68 6 4 0.1628515E-06 0 72 6 5 0.1695141E-06 0 76 6 6 0.1981237E-06 0 7 8 -8 0.3536129E-08 0 10 8 -7 0.1449799E-07 0 14 8 -6 0.1834288E-07 0 18 8 -5 0.6164936E-07 0 23 8 -4 0.7154482E-06 0 28 8 -3 0.1164836E-04 0 34 8 -2 0.3132783E-06 0 40 8 -1 0.1705769E-05 0 47 8 0 0.3827377E-05 0 53 8 1 0.1705768E-05 0 59 8 2 0.3132777E-06 0 64 8 3 0.1164836E-04 0 69 8 4 0.7154481E-06 0 73 8 5 0.6164983E-07 0 77 8 6 0.1834269E-07 0 80 8 7 0.1449792E-07 0 83 8 8 0.3536378E-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 0.6453342E+00 1 31 2 -2 0.3136787E-02 1 37 2 -1 0.5491624E-01 1 44 2 0 0.2287918E+00 1 50 2 1 0.5491624E-01 1 56 2 2 0.3136787E-02 1 21 4 -4 0.3882704E-05 1 26 4 -3 0.2102591E-05 1 32 4 -2 0.9991356E-05 1 38 4 -1 0.2777257E-03 1 45 4 0 0.2246117E-02 1 51 4 1 0.2777257E-03 1 57 4 2 0.9991357E-05 1 62 4 3 0.2102591E-05 1 67 4 4 0.3882704E-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 0.1128688E-03 1 0.3602042E-03 2 0.1598394E-03 3 0.2122228E-04 4 0.1306001E-05 5 0.1275128E-06 6 0.3619024E-07 7 0.1944779E-07 8 0.2101459E-08 9 0.2937303E-09 v, j, mj = 0 2 -2 0 0.1429461E-12 1 0.8668462E-06 2 0.5576378E-05 3 0.4164218E-05 4 0.7487878E-06 5 0.8206366E-07 6 0.4383504E-07 7 0.8402907E-08 8 0.5854446E-08 9 0.1094005E-08 v, j, mj = 0 2 -1 0 0.2579583E-15 1 0.4218004E-04 2 0.7778829E-04 3 0.2467875E-04 4 0.2063872E-05 5 0.2441713E-06 6 0.4583871E-07 7 0.1299773E-07 8 0.2744572E-08 9 0.1965498E-08 v, j, mj = 0 2 0 0 0.9630305E-04 1 0.3460601E-03 2 0.2165395E-03 3 0.4319402E-04 4 0.2939078E-05 5 0.9344882E-07 6 0.3322890E-07 7 0.1708587E-07 8 0.3169857E-08 9 0.4542223E-09 v, j, mj = 0 2 1 0 0.1525109E-15 1 0.4218004E-04 2 0.7778831E-04 3 0.2467875E-04 4 0.2063879E-05 5 0.2441747E-06 6 0.4583623E-07 7 0.1299803E-07 8 0.2744731E-08 9 0.1965493E-08 v, j, mj = 0 2 2 0 0.1484105E-12 1 0.8668363E-06 2 0.5576377E-05 3 0.4164208E-05 4 0.7487866E-06 5 0.8205868E-07 6 0.4383576E-07 7 0.8403064E-08 8 0.5854478E-08 9 0.1094005E-08 v, j, mj = 0 4 -4 0 0.8363459E-13 1 0.7545027E-08 2 0.3711520E-07 3 0.8952959E-07 4 0.7955411E-07 5 0.3730495E-07 6 0.1137350E-07 7 0.6246369E-08 8 0.3633753E-08 9 0.8616903E-09 v, j, mj = 0 4 -3 0 0.1390206E-08 1 0.8274911E-08 2 0.1216474E-06 3 0.1695482E-06 4 0.7101704E-07 5 0.3642752E-07 6 0.3430390E-07 7 0.1439157E-07 8 0.3459914E-08 9 0.6351376E-09 v, j, mj = 0 4 -2 0 0.6426840E-14 1 0.6122424E-06 2 0.3009295E-05 3 0.2862347E-05 4 0.2993895E-06 5 0.5878059E-07 6 0.9815419E-08 7 0.5302329E-08 8 0.1235549E-08 9 0.3092320E-09 v, j, mj = 0 4 -1 0 0.3965268E-15 1 0.8633249E-04 2 0.1651069E-03 3 0.5684191E-04 4 0.5704424E-05 5 0.1466969E-06 6 0.4613118E-07 7 0.1485960E-07 8 0.3640118E-08 9 0.7725094E-09 v, j, mj = 0 4 0 0 0.3497922E-03 1 0.1308535E-02 2 0.7969178E-03 3 0.1565720E-03 4 0.1020581E-04 5 0.2757494E-06 6 0.1652627E-07 7 0.4873278E-08 8 0.1566563E-08 9 0.3052233E-09 v, j, mj = 0 4 1 0 0.1141818E-15 1 0.8633249E-04 2 0.1651069E-03 3 0.5684190E-04 4 0.5704423E-05 5 0.1467074E-06 6 0.4612852E-07 7 0.1485964E-07 8 0.3640115E-08 9 0.7725092E-09 v, j, mj = 0 4 2 0 0.6063554E-14 1 0.6122396E-06 2 0.3009292E-05 3 0.2862346E-05 4 0.2993969E-06 5 0.5877810E-07 6 0.9814913E-08 7 0.5302376E-08 8 0.1235548E-08 9 0.3092317E-09 v, j, mj = 0 4 3 0 0.1389866E-08 1 0.8268053E-08 2 0.1216470E-06 3 0.1695482E-06 4 0.7100788E-07 5 0.3642908E-07 6 0.3430429E-07 7 0.1439150E-07 8 0.3459911E-08 9 0.6351375E-09 v, j, mj = 0 4 4 0 0.6103215E-13 1 0.7547694E-08 2 0.3711443E-07 3 0.8954013E-07 4 0.7955389E-07 5 0.3730993E-07 6 0.1137314E-07 7 0.6246409E-08 8 0.3633751E-08 9 0.8616901E-09 v, j, mj = 0 6 -6 0 0.3629544E-07 1 0.2352083E-07 2 0.3113907E-07 3 0.5777233E-07 4 0.2410336E-07 5 0.1485785E-07 6 0.8100337E-08 7 0.1827067E-08 8 0.4852711E-09 9 0.0000000E+00 v, j, mj = 0 6 -5 0 0.2170372E-14 1 0.1908896E-08 2 0.2361866E-07 3 0.7359117E-07 4 0.2596912E-07 5 0.2012617E-07 6 0.1738444E-07 7 0.4470311E-08 8 0.2481343E-08 9 0.0000000E+00 v, j, mj = 0 6 -4 0 0.6940749E-14 1 0.1299705E-07 2 0.6417769E-07 3 0.3252771E-07 4 0.2027282E-07 5 0.2115696E-07 6 0.4835957E-08 7 0.4195720E-08 8 0.2659114E-08 9 0.0000000E+00 v, j, mj = 0 6 -3 0 0.6254719E-08 1 0.4065879E-07 2 0.2978868E-06 3 0.6821935E-07 4 0.6415523E-07 5 0.2485363E-07 6 0.6897988E-08 7 0.2408266E-08 8 0.9757853E-09 9 0.0000000E+00 v, j, mj = 0 6 -2 0 0.2405857E-13 1 0.2137277E-05 2 0.3586765E-05 3 0.1526494E-05 4 0.2115791E-06 5 0.3483231E-07 6 0.7904882E-08 7 0.6861780E-08 8 0.8569129E-09 9 0.0000000E+00 v, j, mj = 0 6 -1 0 0.7292459E-15 1 0.5389943E-04 2 0.5080679E-04 3 0.1650414E-04 4 0.1570324E-05 5 0.8424923E-07 6 0.6402275E-08 7 0.1562719E-08 8 0.3733752E-09 9 0.0000000E+00 v, j, mj = 0 6 0 0 0.1410301E-03 1 0.4642306E-03 2 0.1878054E-03 3 0.3588622E-04 4 0.2452602E-05 5 0.1037399E-06 6 0.8400607E-08 7 0.8376908E-08 8 0.9888845E-09 9 0.0000000E+00 v, j, mj = 0 6 1 0 0.1821336E-15 1 0.5389943E-04 2 0.5080679E-04 3 0.1650414E-04 4 0.1570322E-05 5 0.8424931E-07 6 0.6402391E-08 7 0.1562723E-08 8 0.3733752E-09 9 0.0000000E+00 v, j, mj = 0 6 2 0 0.1946966E-13 1 0.2137270E-05 2 0.3586764E-05 3 0.1526497E-05 4 0.2115830E-06 5 0.3483224E-07 6 0.7904935E-08 7 0.6861784E-08 8 0.8569126E-09 9 0.0000000E+00 v, j, mj = 0 6 3 0 0.6248748E-08 1 0.4063525E-07 2 0.2978957E-06 3 0.6822097E-07 4 0.6415499E-07 5 0.2485386E-07 6 0.6898009E-08 7 0.2408270E-08 8 0.9757857E-09 9 0.0000000E+00 v, j, mj = 0 6 4 0 0.7885440E-14 1 0.1299583E-07 2 0.6419197E-07 3 0.3253538E-07 4 0.2027889E-07 5 0.2115867E-07 6 0.4835895E-08 7 0.4195721E-08 8 0.2659113E-08 9 0.0000000E+00 v, j, mj = 0 6 5 0 0.3390260E-14 1 0.1909685E-08 2 0.2360320E-07 3 0.7357156E-07 4 0.2596744E-07 5 0.2012606E-07 6 0.1738454E-07 7 0.4470310E-08 8 0.2481342E-08 9 0.0000000E+00 v, j, mj = 0 6 6 0 0.3629568E-07 1 0.2352351E-07 2 0.3114476E-07 3 0.5778572E-07 4 0.2410318E-07 5 0.1485816E-07 6 0.8100347E-08 7 0.1827065E-08 8 0.4852712E-09 9 0.0000000E+00 v, j, mj = 0 8 -8 0 0.9492070E-15 1 0.8176719E-10 2 0.3832738E-09 3 0.6406125E-09 4 0.6943653E-09 5 0.1735331E-08 6 0.7775833E-12 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -7 0 0.4654329E-15 1 0.3156855E-08 2 0.7533006E-09 3 0.4525828E-09 4 0.1859100E-08 5 0.8094825E-08 6 0.1813293E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -6 0 0.1195210E-08 1 0.7763719E-09 2 0.2661095E-08 3 0.1616637E-08 4 0.3756249E-08 5 0.8315200E-08 6 0.2211800E-10 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -5 0 0.4762738E-16 1 0.1936083E-08 2 0.1261880E-07 3 0.1506606E-07 4 0.7529351E-08 5 0.2413678E-07 6 0.3622814E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -4 0 0.5144377E-16 1 0.4793954E-06 2 0.1759707E-06 3 0.3984321E-07 4 0.9424084E-08 5 0.1061901E-07 6 0.1958022E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -3 0 0.5336305E-08 1 0.1007281E-04 2 0.1375149E-05 3 0.1723314E-06 4 0.1354408E-07 5 0.9148339E-08 6 0.3350965E-10 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -2 0 0.4422010E-15 1 0.1230140E-06 2 0.1085440E-06 3 0.6340824E-07 4 0.7465123E-08 5 0.1057916E-07 6 0.2677277E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -1 0 0.7219238E-16 1 0.1079981E-05 2 0.5619432E-06 3 0.3424376E-07 4 0.2090737E-07 5 0.8556217E-08 6 0.1368789E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 0 0 0.1599174E-05 1 0.1427146E-05 2 0.6561736E-06 3 0.1069071E-06 4 0.2685549E-07 5 0.1091983E-07 6 0.2006715E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 1 0 0.4809819E-16 1 0.1079981E-05 2 0.5619433E-06 3 0.3424362E-07 4 0.2090735E-07 5 0.8556199E-08 6 0.1368790E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 2 0 0.1798107E-15 1 0.1230137E-06 2 0.1085438E-06 3 0.6340815E-07 4 0.7465152E-08 5 0.1057916E-07 6 0.2677277E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 3 0 0.5337706E-08 1 0.1007281E-04 2 0.1375150E-05 3 0.1723314E-06 4 0.1354402E-07 5 0.9148339E-08 6 0.3350960E-10 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 4 0 0.1679065E-15 1 0.4793954E-06 2 0.1759708E-06 3 0.3984301E-07 4 0.9424131E-08 5 0.1061900E-07 6 0.1958023E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 5 0 0.4992329E-16 1 0.1936118E-08 2 0.1261892E-07 3 0.1506638E-07 4 0.7529354E-08 5 0.2413678E-07 6 0.3622813E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 6 0 0.1195209E-08 1 0.7763530E-09 2 0.2660887E-08 3 0.1616646E-08 4 0.3756272E-08 5 0.8315202E-08 6 0.2211800E-10 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 7 0 0.4653044E-15 1 0.3156844E-08 2 0.7531556E-09 3 0.4526435E-09 4 0.1859123E-08 5 0.8094825E-08 6 0.1813294E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 8 0 0.7744449E-15 1 0.8183373E-10 2 0.3834109E-09 3 0.6406732E-09 4 0.6943526E-09 5 0.1735329E-08 6 0.7775931E-12 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 0 0 0 0.3016909E+00 1 0.6898837E-01 2 0.2425809E+00 3 0.3161591E-01 4 0.4577972E-03 5 0.3930713E-06 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 2 -2 0 0.1115549E-13 1 0.1863429E-02 2 0.1198465E-02 3 0.7389821E-04 4 0.8911313E-06 5 0.1028439E-06 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 2 -1 0 0.8220028E-16 1 0.4034927E-01 2 0.1373823E-01 3 0.8226317E-03 4 0.6073664E-05 5 0.2895438E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 2 0 0 0.1370408E+00 1 0.3090442E-01 2 0.4972301E-01 3 0.1096778E-01 4 0.1555399E-03 5 0.2256930E-06 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 2 1 0 0.1252368E-15 1 0.4034927E-01 2 0.1373823E-01 3 0.8226317E-03 4 0.6073664E-05 5 0.2895437E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 2 2 0 0.1197021E-13 1 0.1863429E-02 2 0.1198465E-02 3 0.7389822E-04 4 0.8911317E-06 5 0.1028439E-06 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 -4 0 0.3249141E-18 1 0.1228256E-05 2 0.2545838E-05 3 0.1086105E-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 0.5482784E-08 1 0.1423128E-05 2 0.1449691E-06 3 0.5290103E-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 0.5983315E-16 1 0.4657769E-05 2 0.4543666E-05 3 0.7899212E-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 0.3577900E-17 1 0.2380731E-03 2 0.3762246E-04 3 0.2030191E-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 0 0 0.1016321E-02 1 0.1094862E-02 2 0.1279769E-03 3 0.6957479E-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 0.7353483E-17 1 0.2380731E-03 2 0.3762246E-04 3 0.2030191E-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 2 0 0.5511131E-16 1 0.4657770E-05 2 0.4543665E-05 3 0.7899212E-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 0.5482883E-08 1 0.1423129E-05 2 0.1449692E-06 3 0.5290103E-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 0.5799365E-18 1 0.1228256E-05 2 0.2545838E-05 3 0.1086105E-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 sum of the probabilities = 0.9991365 average vibrational energy (ev) = 0.506334 average rotational energy (ev) = 0.016197 average diffraction energy (ev) = 0.013290 the reaction probability = 0.8635318D-03 $$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$ total energy = -0.41128449D+01 trans energy = 0.26428571D+00 trans energy in z = 0.26428571D+00 total momentum = 0.84480953D+01 $$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$ ************************************ rotation-diffraction summed probabilities ************************************ v probability av edif av erot 0 0.4170305E-01 0.2360157E-01 0.9621728E-01 1 0.9573406E+00 0.2182502E-01 0.2096571E-01 2 0.0000000E+00 0.0000000E+00 0.0000000E+00 ************************************ diffraction summed probabilities ************************************ v irot j m probability 0 43 0 0 0.7698817E-02 0 31 2 -2 0.1772250E-03 0 37 2 -1 0.1603684E-02 0 44 2 0 0.9985123E-02 0 50 2 1 0.1603684E-02 0 56 2 2 0.1772243E-03 0 21 4 -4 0.4669843E-05 0 26 4 -3 0.1974021E-04 0 32 4 -2 0.5001750E-04 0 38 4 -1 0.1246470E-02 0 45 4 0 0.1461850E-01 0 51 4 1 0.1246470E-02 0 57 4 2 0.5001731E-04 0 62 4 3 0.1974013E-04 0 67 4 4 0.4669843E-05 0 13 6 -6 0.2741190E-06 0 17 6 -5 0.3996721E-06 0 22 6 -4 0.1801806E-05 0 27 6 -3 0.1349630E-04 0 33 6 -2 0.5058054E-04 0 39 6 -1 0.1954604E-03 0 46 6 0 0.2578735E-02 0 52 6 1 0.1954604E-03 0 58 6 2 0.5058047E-04 0 63 6 3 0.1349620E-04 0 68 6 4 0.1801832E-05 0 72 6 5 0.3996823E-06 0 76 6 6 0.2741789E-06 0 7 8 -8 0.2358422E-07 0 10 8 -7 0.4093981E-07 0 14 8 -6 0.5441646E-07 0 18 8 -5 0.1091832E-06 0 23 8 -4 0.1093405E-05 0 28 8 -3 0.1395954E-04 0 34 8 -2 0.4370106E-05 0 40 8 -1 0.1278125E-04 0 47 8 0 0.2927555E-04 0 53 8 1 0.1278125E-04 0 59 8 2 0.4370101E-05 0 64 8 3 0.1395955E-04 0 69 8 4 0.1093409E-05 0 73 8 5 0.1091760E-06 0 77 8 6 0.5441678E-07 0 80 8 7 0.4093746E-07 0 83 8 8 0.2357322E-07 0 3 10 -10 0.3645984E-11 0 5 10 -9 0.1060326E-10 0 8 10 -8 0.4832016E-10 0 11 10 -7 0.4975076E-09 0 15 10 -6 0.5091215E-09 0 19 10 -5 0.3145638E-09 0 24 10 -4 0.2641403E-08 0 29 10 -3 0.7210476E-08 0 35 10 -2 0.1612456E-07 0 41 10 -1 0.1952521E-07 0 48 10 0 0.1075113E-07 0 54 10 1 0.1952519E-07 0 60 10 2 0.1612457E-07 0 65 10 3 0.7210473E-08 0 70 10 4 0.2641389E-08 0 74 10 5 0.3145711E-09 0 78 10 6 0.5091159E-09 0 81 10 7 0.4975032E-09 0 84 10 8 0.4832157E-10 0 86 10 9 0.1060364E-10 0 88 10 10 0.3646191E-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 0.5276656E+00 1 31 2 -2 0.1920327E-01 1 37 2 -1 0.7732830E-01 1 44 2 0 0.2218010E+00 1 50 2 1 0.7732830E-01 1 56 2 2 0.1920327E-01 1 21 4 -4 0.2864987E-05 1 26 4 -3 0.1193019E-04 1 32 4 -2 0.3334981E-03 1 38 4 -1 0.3754284E-02 1 45 4 0 0.6605760E-02 1 51 4 1 0.3754284E-02 1 57 4 2 0.3334980E-03 1 62 4 3 0.1193020E-04 1 67 4 4 0.2864991E-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 0.9475914E-03 1 0.3641843E-02 2 0.2430492E-02 3 0.6265684E-03 4 0.5075415E-04 5 0.1472306E-05 6 0.6244702E-07 7 0.2100217E-07 8 0.9153122E-08 9 0.2293628E-08 v, j, mj = 0 2 -2 0 0.4007481E-11 1 0.1156770E-04 2 0.6961168E-04 3 0.7126309E-04 4 0.2290333E-04 5 0.1740110E-05 6 0.1006959E-06 7 0.1978208E-07 8 0.1513804E-07 9 0.3506067E-08 v, j, mj = 0 2 -1 0 0.4895694E-14 1 0.3056437E-03 2 0.7190163E-03 3 0.4855860E-03 4 0.8830221E-04 5 0.4895945E-05 6 0.1962793E-06 7 0.3290816E-07 8 0.9081705E-08 9 0.1143869E-08 v, j, mj = 0 2 0 0 0.1393518E-02 1 0.4822429E-02 2 0.2883692E-02 3 0.7812429E-03 4 0.9871637E-04 5 0.5321951E-05 6 0.1754257E-06 7 0.1890174E-07 8 0.6250602E-08 9 0.1746995E-08 v, j, mj = 0 2 1 0 0.1617651E-13 1 0.3056437E-03 2 0.7190163E-03 3 0.4855859E-03 4 0.8830219E-04 5 0.4895973E-05 6 0.1962801E-06 7 0.3290064E-07 8 0.9081011E-08 9 0.1143943E-08 v, j, mj = 0 2 2 0 0.3870621E-11 1 0.1156746E-04 2 0.6961141E-04 3 0.7126294E-04 4 0.2290331E-04 5 0.1740100E-05 6 0.1006983E-06 7 0.1978169E-07 8 0.1513774E-07 9 0.3506084E-08 v, j, mj = 0 4 -4 0 0.8389105E-12 1 0.2683416E-07 2 0.4744646E-06 3 0.2124494E-05 4 0.1467695E-05 5 0.5000316E-06 6 0.6093155E-07 7 0.1173042E-07 8 0.2506658E-08 9 0.1154221E-08 v, j, mj = 0 4 -3 0 0.6915229E-08 1 0.2698380E-06 2 0.5474354E-05 3 0.9598978E-05 4 0.3907873E-05 5 0.4420425E-06 6 0.2590981E-07 7 0.8740665E-08 8 0.4130953E-08 9 0.1428993E-08 v, j, mj = 0 4 -2 0 0.4152095E-12 1 0.1772410E-06 2 0.7113507E-05 3 0.2598064E-04 4 0.1533943E-04 5 0.1366182E-05 6 0.3177003E-07 7 0.5086346E-08 8 0.3073827E-08 9 0.5753915E-09 v, j, mj = 0 4 -1 0 0.7953688E-14 1 0.1554667E-03 2 0.5115953E-03 3 0.4559839E-03 4 0.1156961E-03 5 0.7564821E-05 6 0.1351046E-06 7 0.2217112E-07 8 0.4365524E-08 9 0.1273476E-08 v, j, mj = 0 4 0 0 0.1464271E-02 1 0.6047325E-02 2 0.5133899E-02 3 0.1709999E-02 4 0.2507575E-03 5 0.1208581E-04 6 0.1490561E-06 7 0.1013963E-07 8 0.2108028E-08 9 0.5977778E-09 v, j, mj = 0 4 1 0 0.9489669E-14 1 0.1554667E-03 2 0.5115953E-03 3 0.4559839E-03 4 0.1156961E-03 5 0.7564830E-05 6 0.1350989E-06 7 0.2217037E-07 8 0.4365508E-08 9 0.1273481E-08 v, j, mj = 0 4 2 0 0.3841288E-12 1 0.1771631E-06 2 0.7113414E-05 3 0.2598063E-04 4 0.1533942E-04 5 0.1366179E-05 6 0.3176618E-07 7 0.5085735E-08 8 0.3073956E-08 9 0.5753885E-09 v, j, mj = 0 4 3 0 0.6912203E-08 1 0.2697991E-06 2 0.5474341E-05 3 0.9598957E-05 4 0.3907863E-05 5 0.4420400E-06 6 0.2591712E-07 7 0.8741829E-08 8 0.4131035E-08 9 0.1428993E-08 v, j, mj = 0 4 4 0 0.6351323E-12 1 0.2681738E-07 2 0.4744130E-06 3 0.2124529E-05 4 0.1467708E-05 5 0.5000430E-06 6 0.6094048E-07 7 0.1173051E-07 8 0.2506721E-08 9 0.1154219E-08 v, j, mj = 0 6 -6 0 0.1134267E-07 1 0.5846512E-07 2 0.3316067E-07 3 0.7868868E-07 4 0.4795352E-07 5 0.3828235E-07 6 0.3212857E-08 7 0.1594275E-08 8 0.1418866E-08 9 0.0000000E+00 v, j, mj = 0 6 -5 0 0.6095440E-14 1 0.3157512E-07 2 0.5853774E-07 3 0.1528373E-06 4 0.1000437E-06 5 0.2995460E-07 6 0.1353739E-07 7 0.6120410E-08 8 0.7065790E-08 9 0.0000000E+00 v, j, mj = 0 6 -4 0 0.3938493E-13 1 0.4933980E-07 2 0.6065468E-06 3 0.9477452E-06 4 0.1429083E-06 5 0.4097164E-07 6 0.7807123E-08 7 0.2550314E-08 8 0.3936776E-08 9 0.0000000E+00 v, j, mj = 0 6 -3 0 0.1473943E-07 1 0.5785045E-06 2 0.8117444E-05 3 0.3924394E-05 4 0.7893115E-06 5 0.5851681E-07 6 0.6673150E-08 7 0.5497386E-08 8 0.1216056E-08 9 0.0000000E+00 v, j, mj = 0 6 -2 0 0.2920399E-12 1 0.1606339E-04 2 0.3064616E-04 3 0.2306815E-05 4 0.1303846E-05 5 0.2437305E-06 6 0.7014889E-08 7 0.2796043E-08 8 0.6792407E-08 9 0.0000000E+00 v, j, mj = 0 6 -1 0 0.3309092E-14 1 0.1134960E-03 2 0.3226758E-04 3 0.3244477E-04 4 0.1622603E-04 5 0.1013554E-05 6 0.7027374E-08 7 0.4026242E-08 8 0.1426282E-08 9 0.0000000E+00 v, j, mj = 0 6 0 0 0.3899355E-03 1 0.1173008E-02 2 0.7362638E-03 3 0.2374693E-03 4 0.3996037E-04 5 0.2072233E-05 6 0.1464833E-07 7 0.3551873E-08 8 0.6928086E-08 9 0.0000000E+00 v, j, mj = 0 6 1 0 0.6953312E-15 1 0.1134960E-03 2 0.3226759E-04 3 0.3244478E-04 4 0.1622602E-04 5 0.1013555E-05 6 0.7026928E-08 7 0.4026229E-08 8 0.1426283E-08 9 0.0000000E+00 v, j, mj = 0 6 2 0 0.2692819E-12 1 0.1606334E-04 2 0.3064614E-04 3 0.2306832E-05 4 0.1303836E-05 5 0.2437272E-06 6 0.7014042E-08 7 0.2796068E-08 8 0.6792416E-08 9 0.0000000E+00 v, j, mj = 0 6 3 0 0.1471548E-07 1 0.5784153E-06 2 0.8117419E-05 3 0.3924410E-05 4 0.7893405E-06 5 0.5851692E-07 6 0.6672805E-08 7 0.5497431E-08 8 0.1216056E-08 9 0.0000000E+00 v, j, mj = 0 6 4 0 0.4227357E-13 1 0.4934769E-07 2 0.6065689E-06 3 0.9477538E-06 4 0.1428998E-06 5 0.4096782E-07 6 0.7806513E-08 7 0.2550275E-08 8 0.3936775E-08 9 0.0000000E+00 v, j, mj = 0 6 5 0 0.1263286E-13 1 0.3157250E-07 2 0.5852376E-07 3 0.1528680E-06 4 0.1000462E-06 5 0.2994979E-07 6 0.1353588E-07 7 0.6120380E-08 8 0.7065786E-08 9 0.0000000E+00 v, j, mj = 0 6 6 0 0.1134305E-07 1 0.5846777E-07 2 0.3316406E-07 3 0.7871350E-07 4 0.4798240E-07 5 0.3828210E-07 6 0.3212869E-08 7 0.1594277E-08 8 0.1418865E-08 9 0.0000000E+00 v, j, mj = 0 8 -8 0 0.2502944E-13 1 0.4960240E-08 2 0.9759152E-08 3 0.4119560E-08 4 0.1159257E-08 5 0.2715237E-08 6 0.8707504E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -7 0 0.5212540E-14 1 0.1242027E-07 2 0.7168003E-08 3 0.2604134E-08 4 0.3491001E-08 5 0.4232303E-08 6 0.1102409E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -6 0 0.2967163E-08 1 0.1386193E-07 2 0.4146781E-08 3 0.6089664E-08 4 0.1544442E-08 5 0.1377069E-07 6 0.1203579E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -5 0 0.1736277E-15 1 0.1810832E-07 2 0.3681513E-07 3 0.3411647E-07 4 0.7910390E-08 5 0.5513406E-08 6 0.6719452E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -4 0 0.3629130E-15 1 0.5532559E-06 2 0.4083605E-06 3 0.1109092E-06 4 0.1299874E-07 5 0.3390054E-08 6 0.4490646E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -3 0 0.7262392E-08 1 0.1063412E-04 2 0.2966606E-05 3 0.3271189E-06 4 0.8993072E-08 5 0.7516309E-08 6 0.7924556E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -2 0 0.1129242E-13 1 0.9574800E-06 2 0.3081686E-05 3 0.3014678E-06 4 0.1373993E-07 5 0.1251364E-07 6 0.3218036E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -1 0 0.1390694E-14 1 0.7858788E-05 2 0.4819041E-05 3 0.7353424E-07 4 0.1446879E-07 5 0.9986105E-08 6 0.5435002E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 0 0 0.1191400E-04 1 0.1630174E-04 2 0.9499021E-06 3 0.2360234E-07 4 0.6375325E-07 5 0.1920429E-07 6 0.3350258E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 1 0 0.8181195E-15 1 0.7858787E-05 2 0.4819041E-05 3 0.7353281E-07 4 0.1446872E-07 5 0.9986083E-08 6 0.5434999E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 2 0 0.4545615E-14 1 0.9574771E-06 2 0.3081686E-05 3 0.3014659E-06 4 0.1374054E-07 5 0.1251363E-07 6 0.3218033E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 3 0 0.7268677E-08 1 0.1063411E-04 2 0.2966610E-05 3 0.3271197E-06 4 0.8993086E-08 5 0.7516318E-08 6 0.7924555E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 4 0 0.1694024E-14 1 0.5532556E-06 2 0.4083633E-06 3 0.1109090E-06 4 0.1299999E-07 5 0.3389996E-08 6 0.4490664E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 5 0 0.3029887E-15 1 0.1810896E-07 2 0.3681008E-07 3 0.3411361E-07 4 0.7910508E-08 5 0.5513373E-08 6 0.6719456E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 6 0 0.2967085E-08 1 0.1386188E-07 2 0.4146161E-08 3 0.6090271E-08 4 0.1544850E-08 5 0.1377076E-07 6 0.1203577E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 7 0 0.4909617E-14 1 0.1241999E-07 2 0.7167210E-08 3 0.2603539E-08 4 0.3490360E-08 5 0.4232280E-08 6 0.1102408E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 8 0 0.1661509E-13 1 0.4953671E-08 2 0.9753467E-08 3 0.4120536E-08 4 0.1159510E-08 5 0.2715263E-08 6 0.8707522E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 -10 0 0.8521926E-18 1 0.3322247E-12 2 0.3313758E-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 0.2350445E-13 1 0.1630594E-11 2 0.8949159E-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 0.8007994E-18 1 0.2123464E-11 2 0.4619669E-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 0.4048485E-18 1 0.1102931E-09 2 0.3872144E-09 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 -6 0 0.1352862E-09 1 0.1338827E-09 2 0.2399526E-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 0.2987921E-18 1 0.8308325E-10 2 0.2314806E-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 0.8857787E-19 1 0.8273919E-09 2 0.1814011E-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 0.1855079E-09 1 0.2369142E-08 2 0.4655825E-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 0.1594081E-17 1 0.3733706E-09 2 0.1575119E-07 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 -1 0 0.3154356E-18 1 0.4897827E-08 2 0.1462738E-07 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 0 0 0.1769434E-08 1 0.9107262E-09 2 0.8070968E-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 0.3218063E-18 1 0.4897821E-08 2 0.1462737E-07 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 2 0 0.1143990E-17 1 0.3733710E-09 2 0.1575120E-07 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 3 0 0.1855119E-09 1 0.2369135E-08 2 0.4655826E-08 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 4 0 0.1711981E-18 1 0.8273872E-09 2 0.1814002E-08 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 5 0 0.2872307E-18 1 0.8308532E-10 2 0.2314858E-09 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 6 0 0.1352833E-09 1 0.1338810E-09 2 0.2399516E-09 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 7 0 0.3720970E-18 1 0.1102900E-09 2 0.3872132E-09 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 8 0 0.7050385E-18 1 0.2123204E-11 2 0.4619837E-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 0.2345842E-13 1 0.1630565E-11 2 0.8949614E-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 0.1157844E-17 1 0.3322171E-12 2 0.3313973E-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 0.1529836E+00 1 0.1742577E+00 2 0.5534243E-01 3 0.1325931E+00 4 0.1238500E-01 5 0.1033366E-03 6 0.3012831E-06 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 2 -2 0 0.1163095E-11 1 0.5706132E-02 2 0.1021056E-01 3 0.3151892E-02 4 0.1339677E-03 5 0.7148062E-06 6 0.1588494E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 2 -1 0 0.5499162E-14 1 0.3364665E-01 2 0.3905777E-01 3 0.4592262E-02 4 0.3151743E-04 5 0.9272380E-07 6 0.3263129E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 2 0 0 0.1241103E+00 1 0.2826381E-01 2 0.2597576E-01 3 0.3965573E-01 4 0.3773167E-02 5 0.2219922E-04 6 0.5474310E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 2 1 0 0.4276193E-14 1 0.3364665E-01 2 0.3905777E-01 3 0.4592262E-02 4 0.3151744E-04 5 0.9272360E-07 6 0.3263134E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 2 2 0 0.1082285E-11 1 0.5706133E-02 2 0.1021056E-01 3 0.3151891E-02 4 0.1339677E-03 5 0.7148068E-06 6 0.1588497E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 -4 0 0.1546814E-14 1 0.1291763E-05 2 0.6585401E-06 3 0.7379535E-06 4 0.1767308E-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 0.7023980E-07 1 0.1746191E-05 2 0.7193490E-05 3 0.2383898E-05 4 0.5363755E-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 0.1375344E-13 1 0.1437319E-03 2 0.1789574E-03 3 0.9681487E-05 4 0.1127304E-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 0.1085791E-15 1 0.2725546E-02 2 0.9700307E-03 3 0.5811123E-04 4 0.5962433E-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 0.4252242E-02 1 0.2114374E-02 2 0.1603270E-03 3 0.7601645E-04 4 0.2800518E-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 0.7939738E-16 1 0.2725546E-02 2 0.9700307E-03 3 0.5811123E-04 4 0.5962436E-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 0.1426257E-13 1 0.1437319E-03 2 0.1789573E-03 3 0.9681484E-05 4 0.1127305E-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 0.7023736E-07 1 0.1746192E-05 2 0.7193497E-05 3 0.2383898E-05 4 0.5363756E-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 0.1622700E-14 1 0.1291765E-05 2 0.6585420E-06 3 0.7379531E-06 4 0.1767308E-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 = 0.9990437 average vibrational energy (ev) = 0.488165 average rotational energy (ev) = 0.024107 average diffraction energy (ev) = 0.021899 the reaction probability = 0.9563148D-03 $$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$ total energy = -0.40557020D+01 trans energy = 0.32142857D+00 trans energy in z = 0.32142857D+00 total momentum = 0.93167448D+01 $$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$ ************************************ rotation-diffraction summed probabilities ************************************ v probability av edif av erot 0 0.1212051E+00 0.2409387E-01 0.7754229E-01 1 0.8629986E+00 0.3287457E-01 0.3003714E-01 2 0.0000000E+00 0.0000000E+00 0.0000000E+00 ************************************ diffraction summed probabilities ************************************ v irot j m probability 0 43 0 0 0.2575445E-01 0 31 2 -2 0.9055235E-03 0 37 2 -1 0.4620745E-02 0 44 2 0 0.3977391E-01 0 50 2 1 0.4620744E-02 0 56 2 2 0.9055164E-03 0 21 4 -4 0.6199215E-04 0 26 4 -3 0.2609445E-03 0 32 4 -2 0.1916670E-03 0 38 4 -1 0.4971521E-02 0 45 4 0 0.2866427E-01 0 51 4 1 0.4971522E-02 0 57 4 2 0.1916639E-03 0 62 4 3 0.2609443E-03 0 67 4 4 0.6199136E-04 0 13 6 -6 0.5725383E-06 0 17 6 -5 0.1209016E-05 0 22 6 -4 0.1242669E-04 0 27 6 -3 0.1139702E-03 0 33 6 -2 0.1551848E-03 0 39 6 -1 0.4882555E-03 0 46 6 0 0.3102670E-02 0 52 6 1 0.4882557E-03 0 58 6 2 0.1551843E-03 0 63 6 3 0.1139699E-03 0 68 6 4 0.1242668E-04 0 72 6 5 0.1209048E-05 0 76 6 6 0.5727310E-06 0 7 8 -8 0.1868299E-07 0 10 8 -7 0.5595840E-07 0 14 8 -6 0.8206361E-07 0 18 8 -5 0.2985236E-06 0 23 8 -4 0.2146831E-05 0 28 8 -3 0.2381626E-04 0 34 8 -2 0.4047617E-04 0 40 8 -1 0.4600746E-04 0 47 8 0 0.1158038E-03 0 53 8 1 0.4600745E-04 0 59 8 2 0.4047613E-04 0 64 8 3 0.2381628E-04 0 69 8 4 0.2146849E-05 0 73 8 5 0.2985191E-06 0 77 8 6 0.8205901E-07 0 80 8 7 0.5595908E-07 0 83 8 8 0.1865360E-07 0 3 10 -10 0.4200363E-10 0 5 10 -9 0.2078400E-09 0 8 10 -8 0.3325630E-09 0 11 10 -7 0.3792827E-09 0 15 10 -6 0.1191669E-08 0 19 10 -5 0.1327446E-08 0 24 10 -4 0.2790315E-08 0 29 10 -3 0.7139798E-08 0 35 10 -2 0.1422476E-07 0 41 10 -1 0.3595937E-07 0 48 10 0 0.5736202E-07 0 54 10 1 0.3595941E-07 0 60 10 2 0.1422484E-07 0 65 10 3 0.7139794E-08 0 70 10 4 0.2790285E-08 0 74 10 5 0.1327426E-08 0 78 10 6 0.1191647E-08 0 81 10 7 0.3792822E-09 0 84 10 8 0.3325635E-09 0 86 10 9 0.2078387E-09 0 88 10 10 0.4200313E-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 0.4070313E+00 1 31 2 -2 0.2489336E-01 1 37 2 -1 0.8481519E-01 1 44 2 0 0.1743859E+00 1 50 2 1 0.8481519E-01 1 56 2 2 0.2489334E-01 1 21 4 -4 0.4887310E-05 1 26 4 -3 0.1050670E-03 1 32 4 -2 0.2471110E-02 1 38 4 -1 0.1600716E-01 1 45 4 0 0.2497604E-01 1 51 4 1 0.1600716E-01 1 57 4 2 0.2471109E-02 1 62 4 3 0.1050671E-03 1 67 4 4 0.4886891E-05 1 13 6 -6 0.1274908E-06 1 17 6 -5 0.1096703E-07 1 22 6 -4 0.7044880E-07 1 27 6 -3 0.3426530E-06 1 33 6 -2 0.4914033E-06 1 39 6 -1 0.1667731E-05 1 46 6 0 0.6344811E-05 1 52 6 1 0.1667732E-05 1 58 6 2 0.4914041E-06 1 63 6 3 0.3426525E-06 1 68 6 4 0.7044886E-07 1 72 6 5 0.1096692E-07 1 76 6 6 0.1274906E-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 0.3761988E-02 1 0.1325936E-01 2 0.6671828E-02 3 0.1566136E-02 4 0.4649702E-03 5 0.2663563E-04 6 0.3353671E-05 7 0.1630367E-06 8 0.1857753E-07 9 0.5067325E-08 v, j, mj = 0 2 -2 0 0.9081040E-10 1 0.1698350E-04 2 0.2459342E-03 3 0.4335133E-03 4 0.1822382E-03 5 0.2601870E-04 6 0.6101645E-06 7 0.1778247E-06 8 0.4199991E-07 9 0.5612515E-08 v, j, mj = 0 2 -1 0 0.1054040E-11 1 0.1520475E-02 2 0.1441760E-02 3 0.9085180E-03 4 0.6617080E-03 5 0.8530628E-04 6 0.2906866E-05 7 0.6255526E-07 8 0.9043767E-08 9 0.4366127E-09 v, j, mj = 0 2 0 0 0.6863765E-02 1 0.2085313E-01 2 0.9022186E-02 3 0.2352175E-02 4 0.6180977E-03 5 0.6215928E-04 6 0.2142470E-05 7 0.2432979E-06 8 0.1407508E-07 9 0.3893910E-08 v, j, mj = 0 2 1 0 0.4034711E-12 1 0.1520475E-02 2 0.1441760E-02 3 0.9085166E-03 4 0.6617076E-03 5 0.8530626E-04 6 0.2906856E-05 7 0.6255613E-07 8 0.9041708E-08 9 0.4364732E-09 v, j, mj = 0 2 2 0 0.8588427E-10 1 0.1698153E-04 2 0.2459310E-03 3 0.4335118E-03 4 0.1822378E-03 5 0.2601853E-04 6 0.6101915E-06 7 0.1778305E-06 8 0.4200095E-07 9 0.5612564E-08 v, j, mj = 0 4 -4 0 0.1566866E-10 1 0.6581954E-06 2 0.8508137E-05 3 0.2333410E-04 4 0.2003166E-04 5 0.8152311E-05 6 0.1222522E-05 7 0.7774119E-07 8 0.5846116E-08 9 0.1628972E-08 v, j, mj = 0 4 -3 0 0.1446465E-07 1 0.4410932E-05 2 0.6272409E-04 3 0.1127315E-03 4 0.7210882E-04 5 0.8635199E-05 6 0.2887953E-06 7 0.2500372E-07 8 0.2619862E-08 9 0.3022549E-08 v, j, mj = 0 4 -2 0 0.9406183E-11 1 0.3670429E-05 2 0.1764160E-04 3 0.7064653E-04 4 0.7699307E-04 5 0.2187631E-04 6 0.8284366E-06 7 0.6531909E-08 8 0.2726594E-08 9 0.1386433E-08 v, j, mj = 0 4 -1 0 0.5628340E-13 1 0.1560574E-02 2 0.2315860E-02 3 0.6396664E-03 4 0.3711946E-03 5 0.8097373E-04 6 0.3207829E-05 7 0.3752360E-07 8 0.4248289E-08 9 0.1696134E-08 v, j, mj = 0 4 0 0 0.2929315E-02 1 0.1148561E-01 2 0.9140585E-02 3 0.3929488E-02 4 0.1044865E-02 5 0.1301572E-03 6 0.4209296E-05 7 0.3386561E-07 8 0.5251424E-08 9 0.9059937E-09 v, j, mj = 0 4 1 0 0.5509590E-13 1 0.1560575E-02 2 0.2315862E-02 3 0.6396662E-03 4 0.3711943E-03 5 0.8097365E-04 6 0.3207826E-05 7 0.3751560E-07 8 0.4248537E-08 9 0.1696164E-08 v, j, mj = 0 4 2 0 0.1051546E-10 1 0.3669504E-05 2 0.1763987E-04 3 0.7064619E-04 4 0.7699295E-04 5 0.2187628E-04 6 0.8284293E-06 7 0.6531141E-08 8 0.2726303E-08 9 0.1386454E-08 v, j, mj = 0 4 3 0 0.1434097E-07 1 0.4410940E-05 2 0.6272414E-04 3 0.1127314E-03 4 0.7210876E-04 5 0.8635210E-05 6 0.2887878E-06 7 0.2500768E-07 8 0.2620346E-08 9 0.3022531E-08 v, j, mj = 0 4 4 0 0.1193249E-10 1 0.6582013E-06 2 0.8507565E-05 3 0.2333389E-04 4 0.2003166E-04 5 0.8152262E-05 6 0.1222556E-05 7 0.7774182E-07 8 0.5846367E-08 9 0.1628973E-08 v, j, mj = 0 6 -6 0 0.3401994E-07 1 0.3207107E-07 2 0.5386933E-07 3 0.1395145E-06 4 0.1135012E-06 5 0.1695939E-06 6 0.2332353E-07 7 0.3082316E-08 8 0.2599052E-08 9 0.9634920E-09 v, j, mj = 0 6 -5 0 0.5142274E-13 1 0.5653902E-07 2 0.2266908E-06 3 0.3984360E-06 4 0.3518359E-06 5 0.1510634E-06 6 0.1441567E-07 7 0.4768384E-08 8 0.4790095E-08 9 0.4768986E-09 v, j, mj = 0 6 -4 0 0.2618670E-12 1 0.2782787E-06 2 0.5238059E-05 3 0.4325149E-05 4 0.2134220E-05 5 0.3767113E-06 6 0.6273183E-07 7 0.5142292E-08 8 0.3233500E-08 9 0.3165579E-08 v, j, mj = 0 6 -3 0 0.2275824E-07 1 0.6895297E-05 2 0.6564230E-04 3 0.2907295E-04 4 0.1118955E-04 5 0.1114240E-05 6 0.2563058E-07 7 0.4872487E-08 8 0.2028831E-08 9 0.5904692E-09 v, j, mj = 0 6 -2 0 0.1018703E-11 1 0.6285869E-04 2 0.7430089E-04 3 0.9867765E-05 4 0.5761113E-05 5 0.2244987E-05 6 0.1435491E-06 7 0.2141226E-08 8 0.3684983E-08 9 0.1973167E-08 v, j, mj = 0 6 -1 0 0.6539301E-14 1 0.1239829E-03 2 0.2145925E-03 3 0.1035584E-03 4 0.3646387E-04 5 0.9317897E-05 6 0.3326714E-06 7 0.3712798E-08 8 0.3330604E-08 9 0.2630266E-09 v, j, mj = 0 6 0 0 0.2295900E-03 1 0.6168557E-03 2 0.1407351E-02 3 0.6672034E-03 4 0.1622451E-03 5 0.1881460E-04 6 0.6006468E-06 7 0.3409344E-08 8 0.4897278E-08 9 0.1311063E-08 v, j, mj = 0 6 1 0 0.1995095E-13 1 0.1239829E-03 2 0.2145926E-03 3 0.1035584E-03 4 0.3646385E-04 5 0.9317893E-05 6 0.3326702E-06 7 0.3713148E-08 8 0.3330615E-08 9 0.2630252E-09 v, j, mj = 0 6 2 0 0.1236104E-11 1 0.6285863E-04 2 0.7430056E-04 3 0.9867663E-05 4 0.5761076E-05 5 0.2244983E-05 6 0.1435465E-06 7 0.2141134E-08 8 0.3684967E-08 9 0.1973160E-08 v, j, mj = 0 6 3 0 0.2265212E-07 1 0.6895242E-05 2 0.6564218E-04 3 0.2907287E-04 4 0.1118956E-04 5 0.1114251E-05 6 0.2563121E-07 7 0.4872596E-08 8 0.2028837E-08 9 0.5904737E-09 v, j, mj = 0 6 4 0 0.4279496E-12 1 0.2782828E-06 2 0.5238095E-05 3 0.4325144E-05 4 0.2134196E-05 5 0.3766898E-06 6 0.6273125E-07 7 0.5142520E-08 8 0.3233498E-08 9 0.3165572E-08 v, j, mj = 0 6 5 0 0.1857872E-13 1 0.5655807E-07 2 0.2266935E-06 3 0.3984937E-06 4 0.3518227E-06 5 0.1510320E-06 6 0.1441333E-07 7 0.4767806E-08 8 0.4790069E-08 9 0.4768996E-09 v, j, mj = 0 6 6 0 0.3402188E-07 1 0.3207282E-07 2 0.5388585E-07 3 0.1396218E-06 4 0.1135795E-06 5 0.1695847E-06 6 0.2331955E-07 7 0.3082342E-08 8 0.2599055E-08 9 0.9634922E-09 v, j, mj = 0 8 -8 0 0.1431803E-12 1 0.2602678E-08 2 0.5025234E-08 3 0.1959801E-08 4 0.4628683E-08 5 0.2115456E-08 6 0.2097835E-08 7 0.2531606E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -7 0 0.1133610E-13 1 0.1948070E-07 2 0.4955605E-08 3 0.1312566E-07 4 0.4497906E-08 5 0.2688495E-08 6 0.4015433E-08 7 0.7194594E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -6 0 0.1063286E-08 1 0.7634637E-08 2 0.2712696E-07 3 0.1642654E-07 4 0.6967915E-08 5 0.6799247E-08 6 0.9900626E-08 7 0.6144401E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -5 0 0.8650255E-15 1 0.5306527E-07 2 0.1078880E-06 3 0.8155590E-07 4 0.3099664E-07 5 0.8664297E-08 6 0.4762040E-08 7 0.1159148E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -4 0 0.3585378E-14 1 0.4241521E-06 2 0.9238873E-06 3 0.6930659E-06 4 0.8907421E-07 5 0.8517180E-08 6 0.4150806E-08 7 0.3983158E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -3 0 0.5346203E-08 1 0.6564241E-05 2 0.1484770E-04 3 0.2275812E-05 4 0.1004180E-06 5 0.7693624E-08 6 0.4993052E-08 7 0.1006293E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -2 0 0.5158233E-13 1 0.9320711E-05 2 0.2853376E-04 3 0.2517357E-05 4 0.9454634E-07 5 0.6502213E-08 6 0.2512970E-08 7 0.7847967E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -1 0 0.4800106E-14 1 0.2766758E-04 2 0.1723826E-04 3 0.9202311E-06 4 0.1680867E-06 5 0.5642854E-08 6 0.4117815E-08 7 0.3540207E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 0 0 0.3987560E-05 1 0.2217992E-04 2 0.7937836E-04 3 0.9801355E-05 4 0.4438662E-06 5 0.9156776E-08 6 0.2790823E-08 7 0.7917733E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 1 0 0.1823754E-14 1 0.2766757E-04 2 0.1723827E-04 3 0.9202309E-06 4 0.1680874E-06 5 0.5642739E-08 6 0.4117796E-08 7 0.3540201E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 2 0 0.1878149E-13 1 0.9320687E-05 2 0.2853374E-04 3 0.2517357E-05 4 0.9454601E-07 5 0.6502594E-08 6 0.2512973E-08 7 0.7848069E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 3 0 0.5358483E-08 1 0.6564225E-05 2 0.1484772E-04 3 0.2275809E-05 4 0.1004198E-06 5 0.7693568E-08 6 0.4993029E-08 7 0.1006294E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 4 0 0.3209655E-14 1 0.4241645E-06 2 0.9238817E-06 3 0.6930712E-06 4 0.8908063E-07 5 0.8517311E-08 6 0.4150838E-08 7 0.3983158E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 5 0 0.7198174E-15 1 0.5306472E-07 2 0.1078902E-06 3 0.8155717E-07 4 0.3098930E-07 5 0.8664232E-08 6 0.4762008E-08 7 0.1159149E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 6 0 0.1063402E-08 1 0.7635583E-08 2 0.2712661E-07 3 0.1642289E-07 4 0.6965757E-08 5 0.6799668E-08 6 0.9900699E-08 7 0.6144401E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 7 0 0.5527947E-14 1 0.1948028E-07 2 0.4957668E-08 3 0.1312753E-07 4 0.4496397E-08 5 0.2687255E-08 6 0.4015379E-08 7 0.7194572E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 8 0 0.6960960E-13 1 0.2591723E-08 2 0.5001969E-08 3 0.1956168E-08 4 0.4637080E-08 5 0.2115581E-08 6 0.2097855E-08 7 0.2531565E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 -10 0 0.1673199E-17 1 0.4013297E-11 2 0.5552281E-11 3 0.3243805E-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 0.1026764E-11 1 0.5347369E-11 2 0.4757444E-11 3 0.1967084E-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 0.5552465E-18 1 0.3738410E-11 2 0.4047462E-10 3 0.2883500E-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 0.2252560E-17 1 0.6410656E-10 2 0.1771239E-09 3 0.1380522E-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 0.8998625E-10 1 0.4020211E-10 2 0.6655593E-09 3 0.3959213E-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 0.2140317E-17 1 0.3040156E-10 2 0.5426119E-09 3 0.7544330E-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 0.7848120E-18 1 0.3430433E-09 2 0.4929868E-09 3 0.1954285E-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 0.8565375E-10 1 0.1058468E-08 2 0.8231945E-09 3 0.5172482E-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 0.2474384E-16 1 0.6712941E-08 2 0.4983326E-08 3 0.2528491E-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 0.6923742E-18 1 0.2212118E-07 2 0.9564527E-08 3 0.4273661E-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 0.2694607E-07 1 0.2324345E-07 2 0.5186454E-08 3 0.1986039E-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 0.1899565E-17 1 0.2212120E-07 2 0.9564562E-08 3 0.4273643E-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 0.1172655E-16 1 0.6713000E-08 2 0.4983352E-08 3 0.2528491E-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 0.8568285E-10 1 0.1058457E-08 2 0.8231748E-09 3 0.5172480E-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 0.7012264E-17 1 0.3430439E-09 2 0.4929779E-09 3 0.1954263E-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 0.7616356E-18 1 0.3039874E-10 2 0.5426048E-09 3 0.7544227E-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 0.8998341E-10 1 0.4020345E-10 2 0.6655614E-09 3 0.3958986E-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 0.2041187E-17 1 0.6410606E-10 2 0.1771236E-09 3 0.1380525E-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 0.1320514E-17 1 0.3739893E-11 2 0.4047369E-10 3 0.2883499E-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 0.1026080E-11 1 0.5345148E-11 2 0.4756187E-11 3 0.1967113E-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 0.2232062E-17 1 0.4012463E-11 2 0.5551322E-11 3 0.3243935E-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 0.1014808E+00 1 0.9669955E-01 2 0.6252480E-01 3 0.7997495E-01 4 0.6362360E-01 5 0.2718751E-02 6 0.8930752E-05 7 0.3893005E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 2 -2 0 0.1842831E-11 1 0.6510345E-02 2 0.3183165E-02 3 0.1252495E-01 4 0.2623718E-02 5 0.5099112E-04 6 0.1914801E-06 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 2 -1 0 0.7648414E-13 1 0.5708789E-01 2 0.1757459E-01 3 0.9546105E-02 4 0.6047324E-03 5 0.1696042E-05 6 0.1779067E-06 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 2 0 0 0.5119462E-01 1 0.1290358E-01 2 0.3097367E-01 3 0.5198788E-01 4 0.2651511E-01 5 0.8095015E-03 6 0.1531693E-05 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 2 1 0 0.9400674E-13 1 0.5708789E-01 2 0.1757459E-01 3 0.9546105E-02 4 0.6047325E-03 5 0.1696039E-05 6 0.1779066E-06 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 2 2 0 0.1431921E-11 1 0.6510338E-02 2 0.3183165E-02 3 0.1252494E-01 4 0.2623715E-02 5 0.5099106E-04 6 0.1914802E-06 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 -4 0 0.1365753E-11 1 0.2793602E-05 2 0.9625278E-06 3 0.5093303E-06 4 0.5490479E-06 5 0.7280061E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 -3 0 0.3203210E-06 1 0.2690887E-04 2 0.7175975E-04 3 0.5684399E-05 4 0.3251116E-06 5 0.6850083E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 -2 0 0.2049239E-12 1 0.1024954E-02 2 0.1044160E-02 3 0.3875088E-03 4 0.1438710E-04 5 0.9978445E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 -1 0 0.6548888E-14 1 0.1380792E-01 2 0.2092927E-02 3 0.1009596E-03 4 0.5159950E-05 5 0.1875178E-06 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 0 0 0.1149544E-01 1 0.9051983E-02 2 0.2838502E-02 3 0.1471968E-02 4 0.1173344E-03 5 0.8106283E-06 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 1 0 0.9782359E-14 1 0.1380792E-01 2 0.2092927E-02 3 0.1009596E-03 4 0.5159956E-05 5 0.1875172E-06 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 2 0 0.1474733E-12 1 0.1024953E-02 2 0.1044160E-02 3 0.3875086E-03 4 0.1438708E-04 5 0.9978379E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 3 0 0.3203729E-06 1 0.2690896E-04 2 0.7175977E-04 3 0.5684416E-05 4 0.3251102E-06 5 0.6850071E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 4 0 0.1714949E-11 1 0.2793297E-05 2 0.9624007E-06 3 0.5093493E-06 4 0.5490427E-06 5 0.7280038E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 6 -6 0 0.3806546E-07 1 0.5722455E-07 2 0.3220077E-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 0.1342559E-17 1 0.9825890E-09 2 0.9984440E-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 0.1053536E-15 1 0.3213627E-07 2 0.3831254E-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 0.3719767E-08 1 0.2452529E-08 2 0.3364807E-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 0.7014170E-17 1 0.2481318E-07 2 0.4665901E-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 0.1544251E-17 1 0.9153925E-06 2 0.7523382E-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 0.1765129E-05 1 0.3844922E-05 2 0.7347602E-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 0.2516880E-17 1 0.9153938E-06 2 0.7523380E-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 0.8060103E-17 1 0.2481329E-07 2 0.4665908E-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 0.3719848E-08 1 0.2452626E-08 2 0.3364800E-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 0.1207810E-15 1 0.3213666E-07 2 0.3831220E-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 0.1558606E-17 1 0.9825873E-09 2 0.9984332E-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 0.3806542E-07 1 0.5722454E-07 2 0.3220064E-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 = 0.9842037 average vibrational energy (ev) = 0.446693 average rotational energy (ev) = 0.035887 average diffraction energy (ev) = 0.031793 the reaction probability = 0.1579633D-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 0.1972952E+00 0.2397255E-01 0.7533193E-01 1 0.6973462E+00 0.4202047E-01 0.4340380E-01 2 0.0000000E+00 0.0000000E+00 0.0000000E+00 ************************************ diffraction summed probabilities ************************************ v irot j m probability 0 43 0 0 0.3851717E-01 0 31 2 -2 0.1903090E-02 0 37 2 -1 0.1099454E-01 0 44 2 0 0.6724835E-01 0 50 2 1 0.1099454E-01 0 56 2 2 0.1903050E-02 0 21 4 -4 0.1602295E-03 0 26 4 -3 0.3797570E-03 0 32 4 -2 0.7833957E-03 0 38 4 -1 0.1476060E-01 0 45 4 0 0.2573989E-01 0 51 4 1 0.1476061E-01 0 57 4 2 0.7833846E-03 0 62 4 3 0.3797535E-03 0 67 4 4 0.1602310E-03 0 13 6 -6 0.8298474E-05 0 17 6 -5 0.1037268E-04 0 22 6 -4 0.3614840E-04 0 27 6 -3 0.1249938E-03 0 33 6 -2 0.1261170E-03 0 39 6 -1 0.1979752E-02 0 46 6 0 0.1960252E-02 0 52 6 1 0.1979753E-02 0 58 6 2 0.1261160E-03 0 63 6 3 0.1249934E-03 0 68 6 4 0.3614859E-04 0 72 6 5 0.1037303E-04 0 76 6 6 0.8298963E-05 0 7 8 -8 0.4152457E-07 0 10 8 -7 0.4967747E-07 0 14 8 -6 0.3188722E-06 0 18 8 -5 0.9631247E-06 0 23 8 -4 0.8413687E-05 0 28 8 -3 0.6270890E-04 0 34 8 -2 0.1503465E-03 0 40 8 -1 0.3016845E-03 0 47 8 0 0.2452411E-03 0 53 8 1 0.3016845E-03 0 59 8 2 0.1503464E-03 0 64 8 3 0.6270895E-04 0 69 8 4 0.8413740E-05 0 73 8 5 0.9631088E-06 0 77 8 6 0.3188599E-06 0 80 8 7 0.4967070E-07 0 83 8 8 0.4148392E-07 0 3 10 -10 0.4443676E-10 0 5 10 -9 0.1688194E-09 0 8 10 -8 0.3622596E-09 0 11 10 -7 0.1770732E-08 0 15 10 -6 0.2680867E-08 0 19 10 -5 0.3061926E-08 0 24 10 -4 0.7749745E-08 0 29 10 -3 0.1214800E-07 0 35 10 -2 0.2701137E-07 0 41 10 -1 0.1440990E-06 0 48 10 0 0.2813271E-06 0 54 10 1 0.1440992E-06 0 60 10 2 0.2701136E-07 0 65 10 3 0.1214774E-07 0 70 10 4 0.7749685E-08 0 74 10 5 0.3062070E-08 0 78 10 6 0.2680894E-08 0 81 10 7 0.1770749E-08 0 84 10 8 0.3622147E-09 0 86 10 9 0.1687831E-09 0 88 10 10 0.4441821E-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 0.2627551E+00 1 31 2 -2 0.1627317E-01 1 37 2 -1 0.7834891E-01 1 44 2 0 0.1309305E+00 1 50 2 1 0.7834890E-01 1 56 2 2 0.1627313E-01 1 21 4 -4 0.4286087E-04 1 26 4 -3 0.4495208E-03 1 32 4 -2 0.8222822E-02 1 38 4 -1 0.3185240E-01 1 45 4 0 0.3279346E-01 1 51 4 1 0.3185240E-01 1 57 4 2 0.8222820E-02 1 62 4 3 0.4495215E-03 1 67 4 4 0.4286216E-04 1 13 6 -6 0.8945023E-07 1 17 6 -5 0.3137126E-07 1 22 6 -4 0.8310355E-07 1 27 6 -3 0.8422824E-06 1 33 6 -2 0.1445432E-04 1 39 6 -1 0.1120035E-03 1 46 6 0 0.2327977E-03 1 52 6 1 0.1120035E-03 1 58 6 2 0.1445433E-04 1 63 6 3 0.8422922E-06 1 68 6 4 0.8310182E-07 1 72 6 5 0.3137095E-07 1 76 6 6 0.8945009E-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 0.8945242E-02 1 0.2198319E-01 2 0.5247252E-02 3 0.1347164E-02 4 0.7621113E-03 5 0.2205161E-03 6 0.7413555E-05 7 0.3914331E-05 8 0.3521104E-06 9 0.1167244E-07 v, j, mj = 0 2 -2 0 0.2491352E-10 1 0.8159070E-04 2 0.1824764E-03 3 0.8918169E-03 4 0.5318594E-03 5 0.1837630E-03 6 0.2732761E-04 7 0.3787576E-05 8 0.4473282E-06 9 0.2105673E-07 v, j, mj = 0 2 -1 0 0.2987066E-10 1 0.5103321E-02 2 0.3425917E-02 3 0.7607542E-03 4 0.1256128E-02 5 0.4058481E-03 6 0.4154326E-04 7 0.1011599E-05 8 0.1129816E-07 9 0.3548757E-08 v, j, mj = 0 2 0 0 0.1641557E-01 1 0.3485323E-01 2 0.1017933E-01 3 0.3938322E-02 4 0.1569362E-02 5 0.2712606E-03 6 0.2071646E-04 7 0.4432155E-06 8 0.1149031E-06 9 0.1374080E-07 v, j, mj = 0 2 1 0 0.3566477E-10 1 0.5103322E-02 2 0.3425920E-02 3 0.7607487E-03 4 0.1256129E-02 5 0.4058482E-03 6 0.4154318E-04 7 0.1011611E-05 8 0.1129622E-07 9 0.3548009E-08 v, j, mj = 0 2 2 0 0.4608688E-10 1 0.8157683E-04 2 0.1824609E-03 3 0.8918100E-03 4 0.5318564E-03 5 0.1837617E-03 6 0.2732782E-04 7 0.3787577E-05 8 0.4473261E-06 9 0.2105751E-07 v, j, mj = 0 4 -4 0 0.1593258E-09 1 0.1075609E-04 2 0.4726421E-04 3 0.2180406E-04 4 0.2999925E-04 5 0.3627651E-04 6 0.1281881E-04 7 0.1254937E-05 8 0.5451575E-07 9 0.9882726E-09 v, j, mj = 0 4 -3 0 0.9903621E-06 1 0.2130524E-04 2 0.1989628E-03 3 0.3623570E-04 4 0.8631015E-04 5 0.3352803E-04 6 0.2298809E-05 7 0.1205737E-06 8 0.3055122E-08 9 0.2350004E-08 v, j, mj = 0 4 -2 0 0.3143530E-10 1 0.3557210E-03 2 0.1423691E-03 3 0.1107418E-03 4 0.1150059E-03 5 0.5168086E-04 6 0.7775572E-05 7 0.8858606E-07 8 0.1189282E-07 9 0.1025877E-08 v, j, mj = 0 4 -1 0 0.6829740E-11 1 0.6008005E-02 2 0.6206632E-02 3 0.1872702E-02 4 0.4506111E-03 5 0.1922166E-03 6 0.2983875E-04 7 0.5939685E-06 8 0.2710124E-08 9 0.1366139E-08 v, j, mj = 0 4 0 0 0.3889791E-02 1 0.1004408E-01 2 0.5840108E-02 3 0.3790332E-02 4 0.1738643E-02 5 0.4044952E-03 6 0.3195921E-04 7 0.4717644E-06 8 0.9729127E-08 9 0.1411216E-08 v, j, mj = 0 4 1 0 0.7765857E-11 1 0.6008007E-02 2 0.6206635E-02 3 0.1872701E-02 4 0.4506114E-03 5 0.1922165E-03 6 0.2983871E-04 7 0.5939584E-06 8 0.2711585E-08 9 0.1366058E-08 v, j, mj = 0 4 2 0 0.2297522E-10 1 0.3557168E-03 2 0.1423640E-03 3 0.1107404E-03 4 0.1150056E-03 5 0.5168070E-04 6 0.7775600E-05 7 0.8857911E-07 8 0.1189457E-07 9 0.1025830E-08 v, j, mj = 0 4 3 0 0.9865294E-06 1 0.2130503E-04 2 0.1989637E-03 3 0.3623571E-04 4 0.8630996E-04 5 0.3352780E-04 6 0.2298808E-05 7 0.1205800E-06 8 0.3055328E-08 9 0.2350038E-08 v, j, mj = 0 4 4 0 0.1929987E-09 1 0.1075909E-04 2 0.4726270E-04 3 0.2180387E-04 4 0.2999937E-04 5 0.3627649E-04 6 0.1281882E-04 7 0.1254978E-05 8 0.5451345E-07 9 0.9883047E-09 v, j, mj = 0 6 -6 0 0.5966250E-06 1 0.5143097E-06 2 0.9196380E-06 3 0.1243040E-05 4 0.2259661E-05 5 0.1903848E-05 6 0.8150292E-06 7 0.4388604E-07 8 0.1521675E-08 9 0.9164206E-09 v, j, mj = 0 6 -5 0 0.5398995E-11 1 0.1204305E-05 2 0.2847459E-05 3 0.1649443E-05 4 0.2193143E-05 5 0.1964376E-05 6 0.4977070E-06 7 0.1275088E-07 8 0.2399625E-08 9 0.1090885E-08 v, j, mj = 0 6 -4 0 0.8084090E-11 1 0.8855152E-05 2 0.1288070E-04 3 0.8466467E-05 4 0.4487408E-05 5 0.1251218E-05 6 0.1885794E-06 7 0.1551759E-07 8 0.1985359E-08 9 0.1365680E-08 v, j, mj = 0 6 -3 0 0.1189761E-06 1 0.1381760E-04 2 0.9118849E-04 3 0.7104859E-05 4 0.8373890E-05 5 0.4166490E-05 6 0.2117428E-06 7 0.9168640E-08 8 0.2143945E-08 9 0.4929767E-09 v, j, mj = 0 6 -2 0 0.3067443E-11 1 0.3193605E-04 2 0.6572338E-04 3 0.1076800E-04 4 0.1231887E-04 5 0.4733289E-05 6 0.6151963E-06 7 0.1831175E-07 8 0.2320228E-08 9 0.1608569E-08 v, j, mj = 0 6 -1 0 0.3741176E-12 1 0.1952387E-03 2 0.1131568E-02 3 0.5432913E-03 4 0.8755411E-04 5 0.1928029E-04 6 0.2776951E-05 7 0.3969344E-07 8 0.1939871E-08 9 0.9597032E-09 v, j, mj = 0 6 0 0 0.1548064E-03 1 0.2580679E-03 2 0.8453295E-03 3 0.4033508E-03 4 0.2363000E-03 5 0.5842569E-04 6 0.3925282E-05 7 0.4209880E-07 8 0.3438234E-08 9 0.1252418E-08 v, j, mj = 0 6 1 0 0.2179076E-12 1 0.1952389E-03 2 0.1131568E-02 3 0.5432914E-03 4 0.8755419E-04 5 0.1928031E-04 6 0.2776950E-05 7 0.3969323E-07 8 0.1939874E-08 9 0.9597004E-09 v, j, mj = 0 6 2 0 0.3293503E-11 1 0.3193623E-04 2 0.6572266E-04 3 0.1076759E-04 4 0.1231883E-04 5 0.4733271E-05 6 0.6151910E-06 7 0.1831122E-07 8 0.2320279E-08 9 0.1608565E-08 v, j, mj = 0 6 3 0 0.1186722E-06 1 0.1381760E-04 2 0.9118854E-04 3 0.7104705E-05 4 0.8373819E-05 5 0.4166484E-05 6 0.2117487E-06 7 0.9169443E-08 8 0.2143904E-08 9 0.4929744E-09 v, j, mj = 0 6 4 0 0.7451842E-11 1 0.8855114E-05 2 0.1288098E-04 3 0.8466456E-05 4 0.4487368E-05 5 0.1251222E-05 6 0.1885742E-06 7 0.1551480E-07 8 0.1985534E-08 9 0.1365672E-08 v, j, mj = 0 6 5 0 0.7248795E-11 1 0.1204579E-05 2 0.2847602E-05 3 0.1649644E-05 4 0.2192976E-05 5 0.1964289E-05 6 0.4976927E-06 7 0.1275144E-07 8 0.2399598E-08 9 0.1090881E-08 v, j, mj = 0 6 6 0 0.5966299E-06 1 0.5143184E-06 2 0.9195362E-06 3 0.1243212E-05 4 0.2260070E-05 5 0.1903870E-05 6 0.8150047E-06 7 0.4388303E-07 8 0.1521664E-08 9 0.9164196E-09 v, j, mj = 0 8 -8 0 0.6010297E-12 1 0.4917297E-08 2 0.7550271E-08 3 0.1549795E-07 4 0.9529917E-08 5 0.1237155E-08 6 0.1960788E-08 7 0.8305840E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -7 0 0.6391981E-15 1 0.9452658E-08 2 0.3535221E-08 3 0.1504553E-07 4 0.1110482E-07 5 0.3045034E-08 6 0.4151484E-08 7 0.3342729E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -6 0 0.8020967E-07 1 0.3294476E-07 2 0.8066407E-07 3 0.7360368E-07 4 0.3075600E-07 5 0.9764959E-08 6 0.3950193E-08 7 0.6978844E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -5 0 0.6052592E-14 1 0.2815390E-06 2 0.3025334E-06 3 0.3002189E-06 4 0.6361013E-07 5 0.9164178E-08 6 0.3760706E-08 7 0.2298425E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -4 0 0.6238773E-14 1 0.1815324E-06 2 0.4271760E-05 3 0.3757857E-05 4 0.1805569E-06 5 0.1376671E-07 6 0.5569708E-08 7 0.2643386E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -3 0 0.1012443E-07 1 0.9571745E-06 2 0.5680863E-04 3 0.4528684E-05 4 0.3312653E-06 5 0.6520773E-07 6 0.3013773E-08 7 0.4804409E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -2 0 0.1061016E-12 1 0.3691216E-04 2 0.1063349E-03 3 0.6690873E-05 4 0.3847595E-06 5 0.1802764E-07 6 0.3551669E-08 7 0.2156094E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -1 0 0.1384786E-13 1 0.8619719E-04 2 0.1875591E-03 3 0.2510464E-04 4 0.2699406E-05 5 0.1146002E-06 6 0.5343829E-08 7 0.4235202E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 0 0 0.9881945E-05 1 0.3615491E-04 2 0.1814882E-03 3 0.1406003E-04 4 0.3462503E-05 5 0.1872456E-06 6 0.4656825E-08 7 0.1614750E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 1 0 0.1309394E-13 1 0.8619716E-04 2 0.1875592E-03 3 0.2510464E-04 4 0.2699410E-05 5 0.1146002E-06 6 0.5343817E-08 7 0.4235182E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 2 0 0.3002978E-13 1 0.3691213E-04 2 0.1063349E-03 3 0.6690862E-05 4 0.3847587E-06 5 0.1802913E-07 6 0.3551842E-08 7 0.2156125E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 3 0 0.1016397E-07 1 0.9571626E-06 2 0.5680866E-04 3 0.4528678E-05 4 0.3312585E-06 5 0.6520653E-07 6 0.3013944E-08 7 0.4804434E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 4 0 0.9204319E-15 1 0.1815569E-06 2 0.4271786E-05 3 0.3757857E-05 4 0.1805580E-06 5 0.1376974E-07 6 0.5569679E-08 7 0.2643392E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 5 0 0.3489001E-14 1 0.2815214E-06 2 0.3025367E-06 3 0.3002266E-06 4 0.6360250E-07 5 0.9162667E-08 6 0.3760461E-08 7 0.2298381E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 6 0 0.8020848E-07 1 0.3294653E-07 2 0.8066015E-07 3 0.7358676E-07 4 0.3076496E-07 5 0.9763461E-08 6 0.3950666E-08 7 0.6978857E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 7 0 0.5682162E-14 1 0.9455279E-08 2 0.3525646E-08 3 0.1503751E-07 4 0.1111010E-07 5 0.3047867E-08 6 0.4151537E-08 7 0.3342751E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 8 0 0.5265257E-12 1 0.4908868E-08 2 0.7548109E-08 3 0.1547479E-07 4 0.9525266E-08 5 0.1234924E-08 6 0.1960868E-08 7 0.8305736E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 -10 0 0.1112348E-15 1 0.1064609E-11 2 0.8346086E-11 3 0.2413805E-10 4 0.1088790E-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 0.3431213E-12 1 0.6673323E-11 2 0.2663264E-10 3 0.5326879E-10 4 0.8190158E-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 0.3516219E-16 1 0.3166536E-10 2 0.7929329E-10 3 0.7144619E-10 4 0.1798547E-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 0.4446991E-17 1 0.3128628E-09 2 0.4345971E-09 3 0.1081658E-09 4 0.9151059E-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 -6 0 0.4005015E-09 1 0.1159098E-10 2 0.2923287E-09 3 0.3224975E-09 4 0.1653948E-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 0.5317756E-16 1 0.2617809E-09 2 0.3812533E-09 3 0.9469786E-09 4 0.1471914E-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 0.2633822E-16 1 0.1778939E-08 2 0.1309044E-08 3 0.2543633E-08 4 0.2118131E-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 0.7419832E-10 1 0.1536587E-08 2 0.5924842E-08 3 0.2075961E-08 4 0.2536410E-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 0.7115652E-16 1 0.1095118E-08 2 0.1285000E-07 3 0.9579325E-08 4 0.3486921E-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 0.4197879E-16 1 0.5729335E-07 2 0.7294853E-07 3 0.1116888E-07 4 0.2688272E-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 0.7418866E-07 1 0.1356761E-06 2 0.4390261E-07 3 0.2476417E-07 4 0.2795577E-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 0.3666624E-16 1 0.5729327E-07 2 0.7294877E-07 3 0.1116887E-07 4 0.2688261E-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 0.6170996E-17 1 0.1095280E-08 2 0.1284994E-07 3 0.9579231E-08 4 0.3486906E-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 0.7419711E-10 1 0.1536449E-08 2 0.5924813E-08 3 0.2075906E-08 4 0.2536373E-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 0.4406301E-16 1 0.1778857E-08 2 0.1309046E-08 3 0.2543659E-08 4 0.2118123E-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 0.2639623E-16 1 0.2619119E-09 2 0.3812691E-09 3 0.9469495E-09 4 0.1471939E-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 0.4005008E-09 1 0.1158925E-10 2 0.2923719E-09 3 0.3225030E-09 4 0.1653929E-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 0.9814190E-17 1 0.3128526E-09 2 0.4346172E-09 3 0.1081690E-09 4 0.9151106E-09 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 8 0 0.5181027E-16 1 0.3163434E-10 2 0.7927320E-10 3 0.7144266E-10 4 0.1798645E-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 0.3499336E-12 1 0.6649117E-11 2 0.2662337E-10 3 0.5326198E-10 4 0.8189871E-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 0.2105427E-15 1 0.1063922E-11 2 0.8328868E-11 3 0.2413430E-10 4 0.1089091E-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 0.5699056E-01 1 0.2986711E-01 2 0.8035430E-01 3 0.6273133E-02 4 0.7038776E-01 5 0.1857706E-01 6 0.3050014E-03 7 0.1645461E-06 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 2 -2 0 0.4709505E-10 1 0.5868304E-02 2 0.2811061E-02 3 0.3211038E-02 4 0.3995835E-02 5 0.3843127E-03 6 0.2609317E-05 7 0.5100256E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 2 -1 0 0.1321628E-11 1 0.1502020E-01 2 0.5655953E-01 3 0.4280311E-02 4 0.2415785E-02 5 0.7241475E-04 6 0.6507071E-06 7 0.2004720E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 2 0 0 0.3333390E-01 1 0.2164396E-01 2 0.4429266E-02 3 0.1086242E-01 4 0.5236978E-01 5 0.8214524E-02 6 0.7666993E-04 7 0.2651525E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 2 1 0 0.9778616E-12 1 0.1502019E-01 2 0.5655953E-01 3 0.4280315E-02 4 0.2415784E-02 5 0.7241466E-04 6 0.6507055E-06 7 0.2004731E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 2 2 0 0.4482636E-10 1 0.5868306E-02 2 0.2811052E-02 3 0.3211027E-02 4 0.3995822E-02 5 0.3843113E-03 6 0.2609301E-05 7 0.5100240E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 -4 0 0.2427493E-11 1 0.9693732E-05 2 0.1657662E-04 3 0.1550272E-04 4 0.9633958E-06 5 0.1118245E-06 6 0.1256816E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 -3 0 0.7288451E-06 1 0.1341320E-03 2 0.2808439E-03 3 0.3095320E-04 4 0.2604510E-05 5 0.2211169E-06 6 0.3716177E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 -2 0 0.4472878E-12 1 0.6001998E-02 2 0.1851386E-02 3 0.2702098E-03 4 0.9759013E-04 5 0.1592234E-05 6 0.4481641E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 -1 0 0.1041368E-12 1 0.2374414E-01 2 0.7277997E-02 3 0.7891086E-03 4 0.4034286E-04 5 0.7172332E-06 6 0.9453632E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 0 0 0.1980235E-01 1 0.8810759E-02 2 0.1961995E-02 3 0.9384213E-03 4 0.1231713E-02 5 0.4809846E-04 6 0.1191867E-06 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 1 0 0.5042327E-13 1 0.2374414E-01 2 0.7277996E-02 3 0.7891087E-03 4 0.4034280E-04 5 0.7172383E-06 6 0.9453664E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 2 0 0.5564891E-12 1 0.6001999E-02 2 0.1851385E-02 3 0.2702093E-03 4 0.9758982E-04 5 0.1592226E-05 6 0.4481689E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 3 0 0.7283921E-06 1 0.1341329E-03 2 0.2808442E-03 3 0.3095320E-04 4 0.2604523E-05 5 0.2211160E-06 6 0.3716172E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 4 0 0.4109261E-11 1 0.9694909E-05 2 0.1657651E-04 3 0.1550289E-04 4 0.9634517E-06 5 0.1118233E-06 6 0.1256820E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 6 -6 0 0.7371467E-08 1 0.4605681E-07 2 0.1884970E-07 3 0.1705499E-07 4 0.1172596E-09 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 6 -5 0 0.2489576E-15 1 0.1004660E-08 2 0.1307970E-07 3 0.1719728E-07 4 0.8961260E-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 0.5386230E-15 1 0.7000000E-08 2 0.2475027E-07 3 0.5124184E-07 4 0.1114353E-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 0.4764581E-07 1 0.8392344E-07 2 0.3808010E-06 3 0.3298223E-06 4 0.8981661E-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 0.2428731E-15 1 0.9158568E-05 2 0.5061741E-05 3 0.2333312E-06 4 0.6775703E-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 0.2997514E-15 1 0.9143689E-04 2 0.2007211E-04 3 0.4918931E-06 4 0.2607748E-08 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 6 0 0 0.8196288E-04 1 0.1277632E-03 2 0.2284595E-04 3 0.2253442E-06 4 0.3980406E-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 0.1403974E-15 1 0.9143688E-04 2 0.2007211E-04 3 0.4918931E-06 4 0.2607772E-08 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 6 2 0 0.1563607E-15 1 0.9158572E-05 2 0.5061746E-05 3 0.2333310E-06 4 0.6775772E-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 0.4765012E-07 1 0.8392793E-07 2 0.3808020E-06 3 0.3298223E-06 4 0.8981204E-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 0.9239760E-15 1 0.6998927E-08 2 0.2474965E-07 3 0.5124181E-07 4 0.1114356E-09 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 6 5 0 0.2381013E-15 1 0.1004472E-08 2 0.1307966E-07 3 0.1719720E-07 4 0.8961133E-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 6 0 0.7371224E-08 1 0.4605716E-07 2 0.1884963E-07 3 0.1705481E-07 4 0.1172609E-09 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 sum of the probabilities = 0.8946414 average vibrational energy (ev) = 0.397085 average rotational energy (ev) = 0.050445 average diffraction energy (ev) = 0.038040 the reaction probability = 0.1053586D+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 0.1789033E+00 0.2734703E-01 0.9191644E-01 1 0.5589732E+00 0.3950011E-01 0.5747693E-01 2 0.0000000E+00 0.0000000E+00 0.0000000E+00 ************************************ diffraction summed probabilities ************************************ v irot j m probability 0 43 0 0 0.2958232E-01 0 31 2 -2 0.2876589E-02 0 37 2 -1 0.1563121E-01 0 44 2 0 0.4052240E-01 0 50 2 1 0.1563122E-01 0 56 2 2 0.2876566E-02 0 21 4 -4 0.7150571E-03 0 26 4 -3 0.1853547E-02 0 32 4 -2 0.3517335E-02 0 38 4 -1 0.1833062E-01 0 45 4 0 0.8356427E-02 0 51 4 1 0.1833062E-01 0 57 4 2 0.3517329E-02 0 62 4 3 0.1853542E-02 0 67 4 4 0.7150583E-03 0 13 6 -6 0.1530066E-03 0 17 6 -5 0.9798751E-04 0 22 6 -4 0.1900365E-03 0 27 6 -3 0.4012233E-03 0 33 6 -2 0.9649409E-03 0 39 6 -1 0.2469309E-02 0 46 6 0 0.2979790E-02 0 52 6 1 0.2469309E-02 0 58 6 2 0.9649409E-03 0 63 6 3 0.4012234E-03 0 68 6 4 0.1900373E-03 0 72 6 5 0.9798734E-04 0 76 6 6 0.1530067E-03 0 7 8 -8 0.1480864E-05 0 10 8 -7 0.7742889E-06 0 14 8 -6 0.3300181E-05 0 18 8 -5 0.6202866E-05 0 23 8 -4 0.3873574E-04 0 28 8 -3 0.1945501E-03 0 34 8 -2 0.4204741E-03 0 40 8 -1 0.4720562E-03 0 47 8 0 0.7607604E-03 0 53 8 1 0.4720563E-03 0 59 8 2 0.4204741E-03 0 64 8 3 0.1945503E-03 0 69 8 4 0.3873579E-04 0 73 8 5 0.6202891E-05 0 77 8 6 0.3300177E-05 0 80 8 7 0.7744731E-06 0 83 8 8 0.1480804E-05 0 3 10 -10 0.1429764E-09 0 5 10 -9 0.3666735E-09 0 8 10 -8 0.1151005E-08 0 11 10 -7 0.3988237E-08 0 15 10 -6 0.7827898E-08 0 19 10 -5 0.7776907E-08 0 24 10 -4 0.2714583E-07 0 29 10 -3 0.2570533E-06 0 35 10 -2 0.1722859E-05 0 41 10 -1 0.5527885E-05 0 48 10 0 0.9628257E-05 0 54 10 1 0.5527886E-05 0 60 10 2 0.1722859E-05 0 65 10 3 0.2570537E-06 0 70 10 4 0.2714564E-07 0 74 10 5 0.7776771E-08 0 78 10 6 0.7828062E-08 0 81 10 7 0.3988235E-08 0 84 10 8 0.1151196E-08 0 86 10 9 0.3672004E-09 0 88 10 10 0.1429066E-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 0.1699408E+00 1 31 2 -2 0.1818418E-01 1 37 2 -1 0.5768318E-01 1 44 2 0 0.8973066E-01 1 50 2 1 0.5768316E-01 1 56 2 2 0.1818417E-01 1 21 4 -4 0.4432501E-03 1 26 4 -3 0.1492335E-02 1 32 4 -2 0.1248133E-01 1 38 4 -1 0.3583873E-01 1 45 4 0 0.4305616E-01 1 51 4 1 0.3583872E-01 1 57 4 2 0.1248133E-01 1 62 4 3 0.1492336E-02 1 67 4 4 0.4432513E-03 1 13 6 -6 0.3891531E-06 1 17 6 -5 0.2044189E-06 1 22 6 -4 0.9328957E-06 1 27 6 -3 0.1324642E-04 1 33 6 -2 0.2451848E-03 1 39 6 -1 0.9447684E-03 1 46 6 0 0.1590103E-02 1 52 6 1 0.9447684E-03 1 58 6 2 0.2451848E-03 1 63 6 3 0.1324645E-04 1 68 6 4 0.9329064E-06 1 72 6 5 0.2044185E-06 1 76 6 6 0.3891487E-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 0.7804753E-02 1 0.1661037E-01 2 0.1639672E-02 3 0.2182778E-02 4 0.5365940E-03 5 0.6907885E-03 6 0.3536157E-04 7 0.7151757E-04 8 0.9952412E-05 9 0.5327441E-06 v, j, mj = 0 2 -2 0 0.5019814E-08 1 0.7591176E-04 2 0.2294569E-03 3 0.1443055E-02 4 0.8129253E-03 5 0.2112088E-03 6 0.8775772E-04 7 0.1431645E-04 8 0.1843174E-05 9 0.1094594E-06 v, j, mj = 0 2 -1 0 0.1516360E-09 1 0.9956102E-02 2 0.3341030E-02 3 0.6404384E-03 4 0.9653070E-03 5 0.5702154E-03 6 0.1455531E-03 7 0.1227889E-04 8 0.2800341E-06 9 0.7529530E-08 v, j, mj = 0 2 0 0 0.1160557E-01 1 0.2248929E-01 2 0.1115726E-02 3 0.3075023E-02 4 0.1342302E-02 5 0.6981300E-03 6 0.1750930E-03 7 0.1560941E-04 8 0.5446977E-05 9 0.2112150E-06 v, j, mj = 0 2 1 0 0.1247425E-09 1 0.9956102E-02 2 0.3341032E-02 3 0.6404328E-03 4 0.9653155E-03 5 0.5702142E-03 6 0.1455531E-03 7 0.1227896E-04 8 0.2800352E-06 9 0.7528546E-08 v, j, mj = 0 2 2 0 0.4817629E-08 1 0.7590666E-04 2 0.2294459E-03 3 0.1443048E-02 4 0.8129254E-03 5 0.2112084E-03 6 0.8775811E-04 7 0.1431627E-04 8 0.1843161E-05 9 0.1094595E-06 v, j, mj = 0 4 -4 0 0.2978170E-09 1 0.7185041E-04 2 0.1711157E-03 3 0.4010347E-04 4 0.2205216E-03 5 0.1379009E-03 6 0.5706463E-04 7 0.1491222E-04 8 0.1570748E-05 9 0.1707389E-07 v, j, mj = 0 4 -3 0 0.2033194E-05 1 0.3750128E-04 2 0.9847879E-03 3 0.3529911E-03 4 0.2397976E-03 5 0.2162123E-03 6 0.1901971E-04 7 0.1079944E-05 8 0.1198839E-06 9 0.3846400E-08 v, j, mj = 0 4 -2 0 0.2506547E-09 1 0.1044105E-02 2 0.1250131E-02 3 0.5489263E-03 4 0.4487636E-03 5 0.1964535E-03 6 0.2755272E-04 7 0.1320872E-05 8 0.7794135E-07 9 0.3168312E-08 v, j, mj = 0 4 -1 0 0.1287921E-09 1 0.1051167E-01 2 0.5229222E-02 3 0.1736410E-02 4 0.6353317E-03 5 0.1526664E-03 6 0.5890411E-04 7 0.6363974E-05 8 0.5523152E-07 9 0.1162234E-08 v, j, mj = 0 4 0 0 0.1713495E-02 1 0.4609482E-02 2 0.4272405E-03 3 0.3549202E-03 4 0.7569675E-03 5 0.3971943E-03 6 0.9513017E-04 7 0.1828622E-05 8 0.1592869E-06 9 0.9031666E-08 v, j, mj = 0 4 1 0 0.1194830E-09 1 0.1051166E-01 2 0.5229226E-02 3 0.1736406E-02 4 0.6353356E-03 5 0.1526666E-03 6 0.5890409E-04 7 0.6364004E-05 8 0.5523495E-07 9 0.1162197E-08 v, j, mj = 0 4 2 0 0.2682369E-09 1 0.1044099E-02 2 0.1250130E-02 3 0.5489273E-03 4 0.4487642E-03 5 0.1964536E-03 6 0.2755275E-04 7 0.1320836E-05 8 0.7793689E-07 9 0.3168280E-08 v, j, mj = 0 4 3 0 0.2031547E-05 1 0.3750121E-04 2 0.9847883E-03 3 0.3529893E-03 4 0.2397958E-03 5 0.2162122E-03 6 0.1901966E-04 7 0.1079952E-05 8 0.1198800E-06 9 0.3846391E-08 v, j, mj = 0 4 4 0 0.2671374E-09 1 0.7185304E-04 2 0.1711160E-03 3 0.4010214E-04 4 0.2205232E-03 5 0.1378992E-03 6 0.5706440E-04 7 0.1491217E-04 8 0.1570749E-05 9 0.1707328E-07 v, j, mj = 0 6 -6 0 0.8314512E-05 1 0.3547340E-05 2 0.1508308E-04 3 0.2538632E-04 4 0.3446654E-04 5 0.4171353E-04 6 0.2180630E-04 7 0.2652349E-05 8 0.3453643E-07 9 0.2052464E-08 v, j, mj = 0 6 -5 0 0.8104940E-10 1 0.1542538E-04 2 0.4398001E-04 3 0.2285679E-04 4 0.7405463E-05 5 0.4459968E-05 6 0.3599341E-05 7 0.2530126E-06 8 0.6302848E-08 9 0.1165798E-08 v, j, mj = 0 6 -4 0 0.5699792E-10 1 0.4470534E-04 2 0.5782422E-04 3 0.3661514E-04 4 0.4195735E-04 5 0.7195490E-05 6 0.1430067E-05 7 0.3001924E-06 8 0.7415353E-08 9 0.1247296E-08 v, j, mj = 0 6 -3 0 0.2521416E-06 1 0.2080518E-04 2 0.2174431E-03 3 0.8501385E-04 4 0.5056783E-04 5 0.2420880E-04 6 0.2868190E-05 7 0.6203521E-07 8 0.1704780E-08 9 0.4358143E-09 v, j, mj = 0 6 -2 0 0.2198792E-10 1 0.2072632E-03 2 0.6347850E-03 3 0.3174798E-04 4 0.5193769E-04 5 0.3466393E-04 6 0.4389927E-05 7 0.1500373E-06 8 0.1685478E-08 9 0.1392538E-08 v, j, mj = 0 6 -1 0 0.3106192E-11 1 0.7008435E-03 2 0.1258387E-02 3 0.3311426E-03 4 0.1513251E-03 5 0.2258658E-04 6 0.4662043E-05 7 0.3598406E-06 8 0.1289139E-08 9 0.7407900E-09 v, j, mj = 0 6 0 0 0.4688780E-03 1 0.1031483E-02 2 0.1367382E-02 3 0.1631898E-04 4 0.5105898E-04 5 0.3613962E-04 6 0.8264201E-05 7 0.2623996E-06 8 0.1402426E-08 9 0.1309658E-08 v, j, mj = 0 6 1 0 0.3742822E-11 1 0.7008437E-03 2 0.1258387E-02 3 0.3311420E-03 4 0.1513252E-03 5 0.2258658E-04 6 0.4662046E-05 7 0.3598376E-06 8 0.1289271E-08 9 0.7407826E-09 v, j, mj = 0 6 2 0 0.1979942E-10 1 0.2072635E-03 2 0.6347847E-03 3 0.3174809E-04 4 0.5193775E-04 5 0.3466387E-04 6 0.4389920E-05 7 0.1500360E-06 8 0.1685800E-08 9 0.1392540E-08 v, j, mj = 0 6 3 0 0.2519258E-06 1 0.2080580E-04 2 0.2174431E-03 3 0.8501381E-04 4 0.5056776E-04 5 0.2420866E-04 6 0.2868188E-05 7 0.6203377E-07 8 0.1704712E-08 9 0.4358127E-09 v, j, mj = 0 6 4 0 0.5431315E-10 1 0.4470602E-04 2 0.5782438E-04 3 0.3661525E-04 4 0.4195713E-04 5 0.7195553E-05 6 0.1430039E-05 7 0.3001909E-06 8 0.7415231E-08 9 0.1247282E-08 v, j, mj = 0 6 5 0 0.8971260E-10 1 0.1542528E-04 2 0.4398038E-04 3 0.2285623E-04 4 0.7405545E-05 5 0.4460048E-05 6 0.3599279E-05 7 0.2530107E-06 8 0.6302778E-08 9 0.1165795E-08 v, j, mj = 0 6 6 0 0.8314525E-05 1 0.3547257E-05 2 0.1508313E-04 3 0.2538655E-04 4 0.3446665E-04 5 0.4171339E-04 6 0.2180626E-04 7 0.2652342E-05 8 0.3453597E-07 9 0.2052473E-08 v, j, mj = 0 8 -8 0 0.1642853E-11 1 0.2009342E-07 2 0.1097404E-06 3 0.3197473E-06 4 0.6581813E-06 5 0.3574463E-06 6 0.1351141E-07 7 0.1973652E-08 8 0.1688367E-09 9 0.0000000E+00 v, j, mj = 0 8 -7 0 0.1604233E-12 1 0.2177414E-06 2 0.2206419E-07 3 0.1490562E-06 4 0.2315734E-06 5 0.1424729E-06 6 0.8602388E-08 7 0.2598414E-08 8 0.1798811E-09 9 0.0000000E+00 v, j, mj = 0 8 -6 0 0.1185376E-05 1 0.5959437E-06 2 0.7433911E-06 3 0.3806590E-06 4 0.3030150E-06 5 0.7824405E-07 6 0.6991694E-08 7 0.5042472E-08 8 0.1518212E-08 9 0.0000000E+00 v, j, mj = 0 8 -5 0 0.8042419E-12 1 0.4078020E-06 2 0.2220291E-05 3 0.2890222E-05 4 0.6176885E-06 5 0.5817356E-07 6 0.5453895E-08 7 0.1969936E-08 8 0.1264540E-08 9 0.0000000E+00 v, j, mj = 0 8 -4 0 0.4086288E-12 1 0.1177909E-05 2 0.2627465E-04 3 0.1013721E-04 4 0.1005219E-05 5 0.1312766E-06 6 0.6494920E-08 7 0.2275967E-08 8 0.7106995E-09 9 0.0000000E+00 v, j, mj = 0 8 -3 0 0.1739940E-07 1 0.3561841E-05 2 0.1798588E-03 3 0.9021164E-05 4 0.1816534E-05 5 0.2423915E-06 6 0.2658597E-07 7 0.4393475E-08 8 0.9604160E-09 9 0.0000000E+00 v, j, mj = 0 8 -2 0 0.5620522E-12 1 0.1073120E-03 2 0.3065176E-03 3 0.4550009E-05 4 0.1481470E-05 5 0.5962078E-06 6 0.1516051E-07 7 0.9294096E-09 8 0.7405880E-09 9 0.0000000E+00 v, j, mj = 0 8 -1 0 0.1131878E-12 1 0.1176080E-03 2 0.3376955E-03 3 0.8668609E-05 4 0.7306535E-05 5 0.7261865E-06 6 0.4484582E-07 7 0.5797930E-08 8 0.7280234E-09 9 0.0000000E+00 v, j, mj = 0 8 0 0 0.1409269E-04 1 0.1218332E-03 2 0.6172062E-03 3 0.6293045E-05 4 0.9059971E-06 5 0.4118207E-06 6 0.1573183E-07 7 0.1346610E-08 8 0.3833923E-09 9 0.0000000E+00 v, j, mj = 0 8 1 0 0.9942507E-13 1 0.1176080E-03 2 0.3376956E-03 3 0.8668593E-05 4 0.7306547E-05 5 0.7261850E-06 6 0.4484616E-07 7 0.5797909E-08 8 0.7280251E-09 9 0.0000000E+00 v, j, mj = 0 8 2 0 0.3027608E-12 1 0.1073119E-03 2 0.3065176E-03 3 0.4549973E-05 4 0.1481471E-05 5 0.5962128E-06 6 0.1516072E-07 7 0.9294150E-09 8 0.7405880E-09 9 0.0000000E+00 v, j, mj = 0 8 3 0 0.1745830E-07 1 0.3561858E-05 2 0.1798589E-03 3 0.9021211E-05 4 0.1816533E-05 5 0.2423914E-06 6 0.2658652E-07 7 0.4393527E-08 8 0.9604190E-09 9 0.0000000E+00 v, j, mj = 0 8 4 0 0.4754876E-12 1 0.1177967E-05 2 0.2627470E-04 3 0.1013715E-04 4 0.1005206E-05 5 0.1312831E-06 6 0.6495367E-08 7 0.2275966E-08 8 0.7106930E-09 9 0.0000000E+00 v, j, mj = 0 8 5 0 0.8649245E-12 1 0.4077933E-06 2 0.2220326E-05 3 0.2890235E-05 4 0.6176821E-06 5 0.5816673E-07 6 0.5453209E-08 7 0.1969824E-08 8 0.1264526E-08 9 0.0000000E+00 v, j, mj = 0 8 6 0 0.1185373E-05 1 0.5959371E-06 2 0.7433873E-06 3 0.3806413E-06 4 0.3030336E-06 5 0.7825024E-07 6 0.6992979E-08 7 0.5042489E-08 8 0.1518216E-08 9 0.0000000E+00 v, j, mj = 0 8 7 0 0.2876183E-12 1 0.2177501E-06 2 0.2207408E-07 3 0.1491166E-06 4 0.2316541E-06 5 0.1424974E-06 6 0.8602148E-08 7 0.2598453E-08 8 0.1798835E-09 9 0.0000000E+00 v, j, mj = 0 8 8 0 0.9609200E-12 1 0.2009352E-07 2 0.1097167E-06 3 0.3196573E-06 4 0.6582077E-06 5 0.3574721E-06 6 0.1351368E-07 7 0.1973597E-08 8 0.1688373E-09 9 0.0000000E+00 v, j, mj = 0 10 -10 0 0.1259731E-13 1 0.1304385E-10 2 0.2249047E-10 3 0.7434385E-11 4 0.3291313E-10 5 0.6708195E-10 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 -9 0 0.1209486E-12 1 0.1522462E-11 2 0.1046456E-09 3 0.1311603E-09 4 0.5728418E-10 5 0.7194002E-10 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 -8 0 0.2786116E-14 1 0.5678288E-10 2 0.6457398E-10 3 0.2014215E-09 4 0.2299918E-09 5 0.5982322E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 -7 0 0.4153142E-15 1 0.1411515E-09 2 0.1590075E-08 3 0.1277311E-09 4 0.1216665E-08 5 0.9126142E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 -6 0 0.3829230E-09 1 0.7006213E-09 2 0.1111389E-08 3 0.4620742E-09 4 0.5025886E-09 5 0.4668303E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 -5 0 0.1643076E-14 1 0.5127566E-09 2 0.8671809E-09 3 0.2344127E-08 4 0.1567286E-08 5 0.2485555E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 -4 0 0.4868965E-15 1 0.8802595E-09 2 0.1500269E-07 3 0.8233737E-08 4 0.1537531E-08 5 0.1491605E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 -3 0 0.2563317E-09 1 0.2746301E-07 2 0.1638762E-06 3 0.5999112E-07 4 0.4247737E-08 5 0.1218947E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 -2 0 0.8760316E-15 1 0.3592858E-06 2 0.1179057E-05 3 0.1766656E-06 4 0.5759543E-08 5 0.2091064E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 -1 0 0.4350126E-15 1 0.2756872E-05 2 0.2530890E-05 3 0.2318955E-06 4 0.6290818E-08 5 0.1936799E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 0 0 0.1197418E-05 1 0.4841286E-05 2 0.3110933E-05 3 0.4554439E-06 4 0.2027996E-07 5 0.2895720E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 1 0 0.4603109E-15 1 0.2756872E-05 2 0.2530891E-05 3 0.2318957E-06 4 0.6290791E-08 5 0.1936843E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 2 0 0.3668833E-15 1 0.3592858E-06 2 0.1179057E-05 3 0.1766654E-06 4 0.5759526E-08 5 0.2091052E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 3 0 0.2563132E-09 1 0.2746306E-07 2 0.1638763E-06 3 0.5999138E-07 4 0.4247689E-08 5 0.1218957E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 4 0 0.4721275E-15 1 0.8803906E-09 2 0.1500246E-07 3 0.8233663E-08 4 0.1537520E-08 5 0.1491606E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 5 0 0.2839147E-14 1 0.5127642E-09 2 0.8672431E-09 3 0.2343974E-08 4 0.1567236E-08 5 0.2485550E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 6 0 0.3829270E-09 1 0.7005712E-09 2 0.1111537E-08 3 0.4620991E-09 4 0.5026083E-09 5 0.4668319E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 7 0 0.3940841E-15 1 0.1411391E-09 2 0.1590108E-08 3 0.1277110E-09 4 0.1216661E-08 5 0.9126152E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 8 0 0.1822615E-14 1 0.5693135E-10 2 0.6462468E-10 3 0.2013617E-09 4 0.2300298E-09 5 0.5982463E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 9 0 0.1299024E-12 1 0.1512811E-11 2 0.1049803E-09 3 0.1313597E-09 4 0.5728367E-10 5 0.7193408E-10 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 10 0 0.1136083E-13 1 0.1296790E-10 2 0.2249277E-10 3 0.7439106E-11 4 0.3291293E-10 5 0.6708254E-10 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 0 0 0 0.7219595E-01 1 0.4823708E-02 2 0.4970143E-01 3 0.1430709E-01 4 0.6741974E-02 5 0.2022642E-01 6 0.1935593E-02 7 0.8676581E-05 8 0.7954241E-09 9 0.0000000E+00 v, j, mj = 1 2 -2 0 0.6557175E-10 1 0.4189110E-03 2 0.1985237E-02 3 0.1074851E-02 4 0.8684459E-02 5 0.5852592E-02 6 0.1679639E-03 7 0.1624818E-06 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 2 -1 0 0.3498847E-10 1 0.9510180E-03 2 0.3516617E-01 3 0.1979550E-01 4 0.1121557E-02 5 0.6428249E-03 6 0.6014604E-05 7 0.8829524E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 2 0 0 0.2401635E-01 1 0.2935842E-01 2 0.7649029E-02 3 0.4859224E-02 4 0.9503643E-02 5 0.1359753E-01 6 0.7448938E-03 7 0.1575260E-05 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 2 1 0 0.4193962E-10 1 0.9510244E-03 2 0.3516615E-01 3 0.1979550E-01 4 0.1121557E-02 5 0.6428235E-03 6 0.6014588E-05 7 0.8829547E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 2 2 0 0.4139581E-10 1 0.4189087E-03 2 0.1985240E-02 3 0.1074854E-02 4 0.8684451E-02 5 0.5852587E-02 6 0.1679637E-03 7 0.1624819E-06 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 -4 0 0.6741780E-11 1 0.1871127E-04 2 0.8296030E-04 3 0.1944357E-03 4 0.1419662E-03 5 0.5156943E-05 6 0.1965405E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 -3 0 0.2121045E-05 1 0.4621319E-03 2 0.7630257E-03 3 0.2053057E-03 4 0.5869603E-04 5 0.1002529E-05 6 0.5203306E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 -2 0 0.1221762E-10 1 0.1033550E-01 2 0.1379718E-02 3 0.2495079E-03 4 0.4223000E-03 5 0.9338127E-04 6 0.9240860E-06 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 -1 0 0.4933696E-11 1 0.2914350E-01 2 0.4034043E-02 3 0.2448046E-02 4 0.1917858E-03 5 0.2120358E-04 6 0.1515175E-06 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 0 0 0.2883618E-01 1 0.4646164E-02 2 0.4848008E-02 3 0.3917790E-02 4 0.5473133E-03 5 0.2581517E-03 6 0.2553186E-05 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 1 0 0.5340727E-11 1 0.2914350E-01 2 0.4034040E-02 3 0.2448045E-02 4 0.1917855E-03 5 0.2120354E-04 6 0.1515176E-06 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 2 0 0.1013874E-10 1 0.1033550E-01 2 0.1379718E-02 3 0.2495070E-03 4 0.4222997E-03 5 0.9338120E-04 6 0.9240857E-06 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 3 0 0.2119637E-05 1 0.4621329E-03 2 0.7630274E-03 3 0.2053056E-03 4 0.5869589E-04 5 0.1002530E-05 6 0.5203361E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 4 0 0.8565722E-11 1 0.1871180E-04 2 0.8296082E-04 3 0.1944353E-03 4 0.1419667E-03 5 0.5156956E-05 6 0.1965412E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 6 -6 0 0.6686354E-07 1 0.2433565E-06 2 0.5164407E-07 3 0.5946366E-08 4 0.2134258E-07 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 6 -5 0 0.8511987E-13 1 0.8497021E-07 2 0.7258967E-07 3 0.3850977E-07 4 0.8349147E-08 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 6 -4 0 0.5850700E-14 1 0.1444768E-07 2 0.6955070E-06 3 0.1647933E-06 4 0.5814775E-07 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 6 -3 0 0.8578383E-07 1 0.4982627E-05 2 0.7861421E-05 3 0.2528836E-06 4 0.6370156E-07 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 6 -2 0 0.4916820E-13 1 0.1661277E-03 2 0.7745971E-04 3 0.1493792E-05 4 0.1036479E-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 6 -1 0 0.2184420E-14 1 0.8434232E-03 2 0.1007042E-03 3 0.5127950E-06 4 0.1282048E-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 6 0 0 0.5479740E-03 1 0.8409520E-03 2 0.1915282E-03 3 0.9444833E-05 4 0.2034852E-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 6 1 0 0.1185712E-14 1 0.8434231E-03 2 0.1007042E-03 3 0.5127982E-06 4 0.1282043E-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 6 2 0 0.3490751E-13 1 0.1661277E-03 2 0.7745973E-04 3 0.1493784E-05 4 0.1036477E-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 6 3 0 0.8580205E-07 1 0.4982628E-05 2 0.7861438E-05 3 0.2528768E-06 4 0.6370204E-07 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 6 4 0 0.4555694E-14 1 0.1444785E-07 2 0.6955161E-06 3 0.1647948E-06 4 0.5814773E-07 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 6 5 0 0.7482575E-13 1 0.8497060E-07 2 0.7258899E-07 3 0.3850973E-07 4 0.8349144E-08 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 6 6 0 0.6686244E-07 1 0.2433537E-06 2 0.5164369E-07 3 0.5946384E-08 4 0.2134255E-07 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 sum of the probabilities = 0.7378765 average vibrational energy (ev) = 0.385915 average rotational energy (ev) = 0.065827 average diffraction energy (ev) = 0.036554 the reaction probability = 0.2621235D+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 0.1476617E+00 0.3822928E-01 0.1299695E+00 1 0.4827616E+00 0.3835858E-01 0.6744454E-01 2 0.8388381E-07 0.8556650E-03 0.0000000E+00 ************************************ diffraction summed probabilities ************************************ v irot j m probability 0 43 0 0 0.2123552E-01 0 31 2 -2 0.3104083E-02 0 37 2 -1 0.1391034E-01 0 44 2 0 0.9009676E-02 0 50 2 1 0.1391032E-01 0 56 2 2 0.3104069E-02 0 21 4 -4 0.1735340E-02 0 26 4 -3 0.3214431E-02 0 32 4 -2 0.4519628E-02 0 38 4 -1 0.1298128E-01 0 45 4 0 0.1008295E-01 0 51 4 1 0.1298127E-01 0 57 4 2 0.4519626E-02 0 62 4 3 0.3214427E-02 0 67 4 4 0.1735336E-02 0 13 6 -6 0.2816577E-03 0 17 6 -5 0.4962367E-03 0 22 6 -4 0.3106894E-03 0 27 6 -3 0.1020652E-02 0 33 6 -2 0.1721268E-02 0 39 6 -1 0.3514623E-02 0 46 6 0 0.8413863E-02 0 52 6 1 0.3514622E-02 0 58 6 2 0.1721268E-02 0 63 6 3 0.1020652E-02 0 68 6 4 0.3106901E-03 0 72 6 5 0.4962357E-03 0 76 6 6 0.2816609E-03 0 7 8 -8 0.2317540E-04 0 10 8 -7 0.1085158E-04 0 14 8 -6 0.1916971E-04 0 18 8 -5 0.3216515E-04 0 23 8 -4 0.1188728E-03 0 28 8 -3 0.4091597E-03 0 34 8 -2 0.6153798E-03 0 40 8 -1 0.7947534E-03 0 47 8 0 0.1087817E-02 0 53 8 1 0.7947535E-03 0 59 8 2 0.6153797E-03 0 64 8 3 0.4091599E-03 0 69 8 4 0.1188728E-03 0 73 8 5 0.3216547E-04 0 77 8 6 0.1916999E-04 0 80 8 7 0.1085125E-04 0 83 8 8 0.2317504E-04 0 3 10 -10 0.1235812E-08 0 5 10 -9 0.1111058E-08 0 8 10 -8 0.3829186E-08 0 11 10 -7 0.1127775E-07 0 15 10 -6 0.1239939E-07 0 19 10 -5 0.8307668E-07 0 24 10 -4 0.6238378E-06 0 29 10 -3 0.4994991E-05 0 35 10 -2 0.1911201E-04 0 41 10 -1 0.3809796E-04 0 48 10 0 0.3848468E-04 0 54 10 1 0.3809797E-04 0 60 10 2 0.1911201E-04 0 65 10 3 0.4994993E-05 0 70 10 4 0.6238385E-06 0 74 10 5 0.8307349E-07 0 78 10 6 0.1239722E-07 0 81 10 7 0.1127943E-07 0 84 10 8 0.3828172E-08 0 86 10 9 0.1114416E-08 0 88 10 10 0.1237335E-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 0.1531818E+00 1 31 2 -2 0.1699826E-01 1 37 2 -1 0.3254338E-01 1 44 2 0 0.6449249E-01 1 50 2 1 0.3254337E-01 1 56 2 2 0.1699826E-01 1 21 4 -4 0.1437265E-02 1 26 4 -3 0.3015058E-02 1 32 4 -2 0.1232211E-01 1 38 4 -1 0.4217503E-01 1 45 4 0 0.3641549E-01 1 51 4 1 0.4217502E-01 1 57 4 2 0.1232210E-01 1 62 4 3 0.3015059E-02 1 67 4 4 0.1437266E-02 1 13 6 -6 0.4164168E-05 1 17 6 -5 0.1351882E-05 1 22 6 -4 0.8859803E-05 1 27 6 -3 0.1678416E-03 1 33 6 -2 0.1241229E-02 1 39 6 -1 0.3202744E-02 1 46 6 0 0.2437120E-02 1 52 6 1 0.3202744E-02 1 58 6 2 0.1241229E-02 1 63 6 3 0.1678418E-03 1 68 6 4 0.8859821E-05 1 72 6 5 0.1351748E-05 1 76 6 6 0.4164172E-05 1 7 8 -8 0.1492672E-09 1 10 8 -7 0.1161547E-08 1 14 8 -6 0.5810025E-08 1 18 8 -5 0.7580633E-08 1 23 8 -4 0.2335973E-08 1 28 8 -3 0.3567931E-08 1 34 8 -2 0.6296110E-08 1 40 8 -1 0.3084093E-08 1 47 8 0 0.7167594E-07 1 53 8 1 0.3084087E-08 1 59 8 2 0.6295990E-08 1 64 8 3 0.3568004E-08 1 69 8 4 0.2336034E-08 1 73 8 5 0.7580565E-08 1 77 8 6 0.5810082E-08 1 80 8 7 0.1161512E-08 1 83 8 8 0.1492711E-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 0.8388381E-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 0.5289150E-02 1 0.7533467E-02 2 0.5016628E-02 3 0.2072477E-02 4 0.2500962E-03 5 0.9099234E-03 6 0.1346811E-03 7 0.2729836E-04 8 0.1526409E-05 9 0.2743040E-06 v, j, mj = 0 2 -2 0 0.1627345E-08 1 0.6881772E-04 2 0.3253790E-04 3 0.1144308E-02 4 0.8577333E-03 5 0.7088052E-03 6 0.1605395E-03 7 0.1061198E-03 8 0.2317589E-04 9 0.2043467E-05 v, j, mj = 0 2 -1 0 0.1329206E-09 1 0.8767777E-02 2 0.2995814E-02 3 0.1061517E-02 4 0.3596608E-03 5 0.3268839E-03 6 0.3645696E-03 7 0.3167236E-04 8 0.2403780E-05 9 0.4011513E-07 v, j, mj = 0 2 0 0 0.1569854E-02 1 0.3103674E-02 2 0.9521543E-03 3 0.1873927E-02 4 0.6770922E-03 5 0.5824760E-03 6 0.2307258E-03 7 0.1810391E-04 8 0.1567674E-05 9 0.1009847E-06 v, j, mj = 0 2 1 0 0.1091772E-09 1 0.8767769E-02 2 0.2995805E-02 3 0.1061519E-02 4 0.3596610E-03 5 0.3268836E-03 6 0.3645701E-03 7 0.3167233E-04 8 0.2403723E-05 9 0.4011900E-07 v, j, mj = 0 2 2 0 0.1588808E-08 1 0.6881632E-04 2 0.3253111E-04 3 0.1144306E-02 4 0.8577290E-03 5 0.7088062E-03 6 0.1605392E-03 7 0.1061196E-03 8 0.2317599E-04 9 0.2043477E-05 v, j, mj = 0 4 -4 0 0.6823422E-08 1 0.2696917E-04 2 0.2972888E-03 3 0.3576518E-03 4 0.2930667E-03 5 0.3387975E-03 6 0.2917738E-03 7 0.1156313E-03 8 0.1384907E-04 9 0.3046265E-06 v, j, mj = 0 4 -3 0 0.2363291E-05 1 0.2332903E-03 2 0.1070881E-02 3 0.6017702E-03 4 0.8729703E-03 5 0.3222092E-03 6 0.9622032E-04 7 0.1295920E-04 8 0.1744698E-05 9 0.2224745E-07 v, j, mj = 0 4 -2 0 0.2786895E-08 1 0.9826158E-03 2 0.2200880E-02 3 0.3818602E-03 4 0.3791274E-03 5 0.3773580E-03 6 0.1800314E-03 7 0.1653709E-04 8 0.1159783E-05 9 0.5548258E-07 v, j, mj = 0 4 -1 0 0.1195294E-08 1 0.7881700E-02 2 0.2498028E-02 3 0.1463158E-02 4 0.8537663E-03 5 0.1868804E-03 6 0.7915355E-04 7 0.1787855E-04 8 0.7158923E-06 9 0.2080193E-08 v, j, mj = 0 4 0 0 0.2398088E-02 1 0.5370544E-02 2 0.9911834E-03 3 0.4248595E-03 4 0.5935378E-03 5 0.1903786E-03 6 0.9605176E-04 7 0.1793779E-04 8 0.3652653E-06 9 0.3426540E-08 v, j, mj = 0 4 1 0 0.1236454E-08 1 0.7881695E-02 2 0.2498023E-02 3 0.1463155E-02 4 0.8537701E-03 5 0.1868800E-03 6 0.7915362E-04 7 0.1787865E-04 8 0.7158864E-06 9 0.2080267E-08 v, j, mj = 0 4 2 0 0.2811588E-08 1 0.9826145E-03 2 0.2200880E-02 3 0.3818614E-03 4 0.3791266E-03 5 0.3773570E-03 6 0.1800314E-03 7 0.1653721E-04 8 0.1159797E-05 9 0.5548402E-07 v, j, mj = 0 4 3 0 0.2370471E-05 1 0.2332874E-03 2 0.1070882E-02 3 0.6017610E-03 4 0.8729694E-03 5 0.3222109E-03 6 0.9622035E-04 7 0.1295904E-04 8 0.1744705E-05 9 0.2224730E-07 v, j, mj = 0 4 4 0 0.6708614E-08 1 0.2696890E-04 2 0.2972920E-03 3 0.3576478E-03 4 0.2930613E-03 5 0.3387996E-03 6 0.2917746E-03 7 0.1156314E-03 8 0.1384912E-04 9 0.3046254E-06 v, j, mj = 0 6 -6 0 0.2344856E-05 1 0.1004090E-04 2 0.5286350E-04 3 0.3703088E-04 4 0.4457456E-04 5 0.8409233E-04 6 0.4196860E-04 7 0.8459677E-05 8 0.2805793E-06 9 0.1784681E-08 v, j, mj = 0 6 -5 0 0.4492346E-10 1 0.5055472E-05 2 0.1825261E-03 3 0.1691601E-03 4 0.9804944E-04 5 0.3175568E-04 6 0.7884930E-05 7 0.1769045E-05 8 0.3337632E-07 9 0.2541820E-08 v, j, mj = 0 6 -4 0 0.2373422E-09 1 0.2343792E-04 2 0.1041076E-03 3 0.3996904E-04 4 0.9708561E-04 5 0.4169271E-04 6 0.3476602E-05 7 0.8152330E-06 8 0.1027601E-06 9 0.1740202E-08 v, j, mj = 0 6 -3 0 0.1025673E-05 1 0.2110274E-03 2 0.5167933E-03 3 0.1130136E-03 4 0.1248569E-03 5 0.3933061E-04 6 0.1413126E-04 7 0.4448588E-06 8 0.2796636E-07 9 0.5915646E-09 v, j, mj = 0 6 -2 0 0.1601667E-09 1 0.4888215E-03 2 0.1087356E-02 3 0.7181434E-04 4 0.1928889E-04 5 0.3371768E-04 6 0.1877019E-04 7 0.1478147E-05 8 0.1978422E-07 9 0.8799477E-09 v, j, mj = 0 6 -1 0 0.1232522E-09 1 0.2229773E-02 2 0.9970633E-03 3 0.6136908E-04 4 0.1672798E-03 5 0.5016195E-04 6 0.7631346E-05 7 0.1303723E-05 8 0.4035207E-07 9 0.4596626E-09 v, j, mj = 0 6 0 0 0.1057679E-02 1 0.4240536E-02 2 0.2928054E-02 3 0.1436934E-03 4 0.1583238E-04 5 0.1860024E-04 6 0.8266747E-05 7 0.1170086E-05 8 0.3016514E-07 9 0.1458520E-08 v, j, mj = 0 6 1 0 0.1239420E-09 1 0.2229772E-02 2 0.9970629E-03 3 0.6136904E-04 4 0.1672801E-03 5 0.5016191E-04 6 0.7631335E-05 7 0.1303722E-05 8 0.4035201E-07 9 0.4596710E-09 v, j, mj = 0 6 2 0 0.1631036E-09 1 0.4888215E-03 2 0.1087357E-02 3 0.7181433E-04 4 0.1928890E-04 5 0.3371762E-04 6 0.1877017E-04 7 0.1478148E-05 8 0.1978440E-07 9 0.8799560E-09 v, j, mj = 0 6 3 0 0.1026332E-05 1 0.2110273E-03 2 0.5167924E-03 3 0.1130140E-03 4 0.1248569E-03 5 0.3933062E-04 6 0.1413128E-04 7 0.4448578E-06 8 0.2796569E-07 9 0.5915616E-09 v, j, mj = 0 6 4 0 0.2500714E-09 1 0.2343822E-04 2 0.1041083E-03 3 0.3996853E-04 4 0.9708595E-04 5 0.4169259E-04 6 0.3476558E-05 7 0.8152396E-06 8 0.1027600E-06 9 0.1740168E-08 v, j, mj = 0 6 5 0 0.3507204E-10 1 0.5054146E-05 2 0.1825269E-03 3 0.1691597E-03 4 0.9805020E-04 5 0.3175517E-04 6 0.7884604E-05 7 0.1769030E-05 8 0.3337522E-07 9 0.2541831E-08 v, j, mj = 0 6 6 0 0.2344837E-05 1 0.1004049E-04 2 0.5286422E-04 3 0.3703157E-04 4 0.4457659E-04 5 0.8409270E-04 6 0.4196849E-04 7 0.8459627E-05 8 0.2805775E-06 9 0.1784674E-08 v, j, mj = 0 8 -8 0 0.1414869E-09 1 0.1784290E-05 2 0.6238728E-06 3 0.2153171E-05 4 0.8940635E-05 5 0.8446406E-05 6 0.1209654E-05 7 0.1633185E-07 8 0.8384095E-09 9 0.6422427E-10 v, j, mj = 0 8 -7 0 0.6055930E-11 1 0.9451436E-06 2 0.3762068E-05 3 0.3264085E-05 4 0.1520763E-05 5 0.1144038E-05 6 0.2069323E-06 7 0.7684789E-08 8 0.7865767E-09 9 0.7240330E-10 v, j, mj = 0 8 -6 0 0.3188647E-05 1 0.3999786E-05 2 0.7488477E-05 3 0.2360920E-05 4 0.1336387E-05 5 0.6863307E-06 6 0.1020076E-06 7 0.5418430E-08 8 0.1286152E-08 9 0.4506087E-09 v, j, mj = 0 8 -5 0 0.1282917E-10 1 0.2147224E-05 2 0.1210550E-04 3 0.1069923E-04 4 0.6006022E-05 5 0.1145156E-05 6 0.5933585E-07 7 0.1591660E-08 8 0.7342209E-09 9 0.3434254E-09 v, j, mj = 0 8 -4 0 0.8583518E-12 1 0.3394350E-05 2 0.7805021E-04 3 0.3073816E-04 4 0.5928194E-05 5 0.6866748E-06 6 0.7144680E-07 7 0.2337373E-08 8 0.1118748E-08 9 0.3227969E-09 v, j, mj = 0 8 -3 0 0.7766193E-07 1 0.3235709E-04 2 0.3324595E-03 3 0.3896832E-04 4 0.4537168E-05 5 0.6519860E-06 6 0.1028547E-06 7 0.3745951E-08 8 0.1010152E-08 9 0.4103923E-09 v, j, mj = 0 8 -2 0 0.9400498E-11 1 0.1332589E-03 2 0.4598342E-03 3 0.1983691E-04 4 0.1658468E-05 5 0.5791465E-06 6 0.2086952E-06 7 0.2219575E-08 8 0.8195283E-09 9 0.4374197E-09 v, j, mj = 0 8 -1 0 0.3635159E-12 1 0.1375999E-03 2 0.6230031E-03 3 0.2783498E-04 4 0.4027507E-05 5 0.2111494E-05 6 0.1710836E-06 7 0.4693358E-08 8 0.4010674E-09 9 0.2455978E-09 v, j, mj = 0 8 0 0 0.1584033E-04 1 0.2380059E-03 2 0.7719304E-03 3 0.6103811E-04 4 0.4591034E-06 5 0.4925002E-06 6 0.4477835E-07 7 0.5321567E-08 8 0.5146437E-09 9 0.2886128E-09 v, j, mj = 0 8 1 0 0.3869888E-12 1 0.1375999E-03 2 0.6230032E-03 3 0.2783496E-04 4 0.4027540E-05 5 0.2111483E-05 6 0.1710843E-06 7 0.4693375E-08 8 0.4010716E-09 9 0.2455991E-09 v, j, mj = 0 8 2 0 0.8944986E-11 1 0.1332589E-03 2 0.4598341E-03 3 0.1983691E-04 4 0.1658464E-05 5 0.5791556E-06 6 0.2086962E-06 7 0.2219473E-08 8 0.8195256E-09 9 0.4374236E-09 v, j, mj = 0 8 3 0 0.7772244E-07 1 0.3235708E-04 2 0.3324595E-03 3 0.3896839E-04 4 0.4537172E-05 5 0.6519902E-06 6 0.1028556E-06 7 0.3745919E-08 8 0.1010136E-08 9 0.4103966E-09 v, j, mj = 0 8 4 0 0.1317151E-11 1 0.3394350E-05 2 0.7805030E-04 3 0.3073803E-04 4 0.5928221E-05 5 0.6866688E-06 6 0.7144560E-07 7 0.2337331E-08 8 0.1118769E-08 9 0.3227977E-09 v, j, mj = 0 8 5 0 0.1388824E-10 1 0.2147265E-05 2 0.1210557E-04 3 0.1069939E-04 4 0.6006062E-05 5 0.1145163E-05 6 0.5933444E-07 7 0.1591240E-08 8 0.7342120E-09 9 0.3434193E-09 v, j, mj = 0 8 6 0 0.3188672E-05 1 0.3999670E-05 2 0.7488563E-05 3 0.2361028E-05 4 0.1336536E-05 5 0.6863593E-06 6 0.1020082E-06 7 0.5418540E-08 8 0.1286167E-08 9 0.4506043E-09 v, j, mj = 0 8 7 0 0.5797743E-11 1 0.9451405E-06 2 0.3762055E-05 3 0.3263864E-05 4 0.1520674E-05 5 0.1144037E-05 6 0.2069288E-06 7 0.7684156E-08 8 0.7865804E-09 9 0.7240195E-10 v, j, mj = 0 8 8 0 0.1341719E-09 1 0.1784373E-05 2 0.6237039E-06 3 0.2153009E-05 4 0.8940487E-05 5 0.8446437E-05 6 0.1209661E-05 7 0.1633175E-07 8 0.8384236E-09 9 0.6422217E-10 v, j, mj = 0 10 -10 0 0.6629456E-13 1 0.1399384E-09 2 0.6946614E-09 3 0.1430278E-09 4 0.1105532E-09 5 0.8067631E-10 6 0.6688872E-10 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 -9 0 0.1525225E-10 1 0.6598012E-11 2 0.2787551E-09 3 0.3116228E-09 4 0.2011488E-09 5 0.1080418E-09 6 0.1896388E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 -8 0 0.1069737E-12 1 0.1468580E-09 2 0.1513207E-08 3 0.4213808E-09 4 0.2443139E-09 5 0.8292092E-09 6 0.6741093E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 -7 0 0.6230287E-14 1 0.1264916E-08 2 0.3914717E-08 3 0.8210212E-09 4 0.5141739E-09 5 0.1958058E-08 6 0.2804854E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 -6 0 0.1843429E-08 1 0.2500897E-08 2 0.1178783E-08 3 0.1284441E-08 4 0.8598635E-09 5 0.2155455E-08 6 0.2576524E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 -5 0 0.1531803E-13 1 0.6964557E-09 2 0.4480335E-07 3 0.3002063E-07 4 0.3263620E-08 5 0.1906210E-08 6 0.2386412E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 -4 0 0.4132066E-13 1 0.3074752E-08 2 0.4415168E-06 3 0.1740163E-06 4 0.2954304E-08 5 0.1225258E-08 6 0.1050419E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 -3 0 0.4741285E-10 1 0.5860021E-06 2 0.3728798E-05 3 0.6690902E-06 4 0.7033516E-08 5 0.1487088E-08 6 0.2532870E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 -2 0 0.4635401E-14 1 0.5793664E-05 2 0.1233656E-04 3 0.9745432E-06 4 0.4642427E-08 5 0.1154489E-08 6 0.1449573E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 -1 0 0.2074773E-14 1 0.1843769E-04 2 0.1853793E-04 3 0.1105466E-05 4 0.1297600E-07 5 0.2795971E-08 6 0.1100222E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 0 0 0.2678252E-05 1 0.1501989E-04 2 0.2000836E-04 3 0.7425591E-06 4 0.3115130E-07 5 0.3239953E-08 6 0.1231216E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 1 0 0.6034783E-15 1 0.1843769E-04 2 0.1853794E-04 3 0.1105467E-05 4 0.1297598E-07 5 0.2795964E-08 6 0.1100224E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 2 0 0.2267797E-14 1 0.5793663E-05 2 0.1233656E-04 3 0.9745437E-06 4 0.4642570E-08 5 0.1154468E-08 6 0.1449587E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 3 0 0.4843447E-10 1 0.5860026E-06 2 0.3728797E-05 3 0.6690913E-06 4 0.7033762E-08 5 0.1487096E-08 6 0.2532869E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 4 0 0.5502254E-13 1 0.3075076E-08 2 0.4415176E-06 3 0.1740162E-06 4 0.2953933E-08 5 0.1225244E-08 6 0.1050422E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 5 0 0.9284610E-14 1 0.6954160E-09 2 0.4480138E-07 3 0.3002076E-07 4 0.3263354E-08 5 0.1906188E-08 6 0.2386387E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 6 0 0.1843404E-08 1 0.2501053E-08 2 0.1175912E-08 3 0.1285022E-08 4 0.8598941E-09 5 0.2155408E-08 6 0.2576526E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 7 0 0.1899996E-13 1 0.1265234E-08 2 0.3916263E-08 3 0.8209797E-09 4 0.5140327E-09 5 0.1958085E-08 6 0.2804812E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 8 0 0.5835660E-13 1 0.1467823E-09 2 0.1512474E-08 3 0.4212544E-09 4 0.2442904E-09 5 0.8292016E-09 6 0.6741118E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 9 0 0.1675682E-10 1 0.6598708E-11 2 0.2798786E-09 3 0.3122481E-09 4 0.2012713E-09 5 0.1080255E-09 6 0.1896368E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 10 0 0.7884207E-13 1 0.1409411E-09 2 0.6950174E-09 3 0.1431375E-09 4 0.1106003E-09 5 0.8067231E-10 6 0.6688768E-10 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 0 0 0 0.1011375E+00 1 0.1258328E-01 2 0.1051281E-01 3 0.1580463E-01 4 0.2732843E-02 5 0.4905603E-02 6 0.5368857E-02 7 0.1361122E-03 8 0.1164093E-06 9 0.0000000E+00 v, j, mj = 1 2 -2 0 0.2211394E-08 1 0.2120451E-04 2 0.2355942E-02 3 0.1274289E-02 4 0.1551819E-02 5 0.1015313E-01 6 0.1630295E-02 7 0.1157828E-04 8 0.3093718E-08 9 0.0000000E+00 v, j, mj = 1 2 -1 0 0.7493746E-09 1 0.2854129E-02 2 0.9600977E-02 3 0.1508038E-01 4 0.4284582E-02 5 0.6378030E-03 6 0.8526230E-04 7 0.2389550E-06 8 0.5981328E-08 9 0.0000000E+00 v, j, mj = 1 2 0 0 0.1011381E-01 1 0.2343110E-01 2 0.9242023E-02 3 0.8023976E-02 4 0.3551218E-02 5 0.6926210E-02 6 0.3161000E-02 7 0.4313027E-04 8 0.1686674E-07 9 0.0000000E+00 v, j, mj = 1 2 1 0 0.7316233E-09 1 0.2854132E-02 2 0.9600977E-02 3 0.1508037E-01 4 0.4284579E-02 5 0.6378042E-03 6 0.8526229E-04 7 0.2389542E-06 8 0.5981300E-08 9 0.0000000E+00 v, j, mj = 1 2 2 0 0.2394337E-08 1 0.2120714E-04 2 0.2355935E-02 3 0.1274292E-02 4 0.1551822E-02 5 0.1015312E-01 6 0.1630294E-02 7 0.1157828E-04 8 0.3093728E-08 9 0.0000000E+00 v, j, mj = 1 4 -4 0 0.6651390E-10 1 0.6849636E-04 2 0.2658645E-03 3 0.2735321E-03 4 0.6089040E-03 5 0.2172429E-03 6 0.3213830E-05 7 0.1147879E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 -3 0 0.5147732E-05 1 0.9147414E-03 2 0.1257125E-02 3 0.3032914E-03 4 0.5025087E-03 5 0.3191306E-04 6 0.3197699E-06 7 0.1153922E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 -2 0 0.1294982E-09 1 0.7466325E-02 2 0.3220652E-02 3 0.1072116E-02 4 0.1713456E-03 5 0.3711771E-03 6 0.2046529E-04 7 0.2432867E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 -1 0 0.1415070E-09 1 0.2749011E-01 2 0.1137123E-01 3 0.2624175E-02 4 0.6174473E-03 5 0.6905444E-04 6 0.2991613E-05 7 0.1658416E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 0 0 0.2307181E-01 1 0.4742984E-04 2 0.5184651E-02 3 0.6449193E-02 4 0.1139701E-02 5 0.4804217E-03 6 0.4222503E-04 7 0.6517497E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 1 0 0.1486122E-09 1 0.2749011E-01 2 0.1137123E-01 3 0.2624173E-02 4 0.6174472E-03 5 0.6905452E-04 6 0.2991616E-05 7 0.1658411E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 2 0 0.1358040E-09 1 0.7466321E-02 2 0.3220653E-02 3 0.1072116E-02 4 0.1713460E-03 5 0.3711768E-03 6 0.2046528E-04 7 0.2432849E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 3 0 0.5146417E-05 1 0.9147429E-03 2 0.1257126E-02 3 0.3032917E-03 4 0.5025079E-03 5 0.3191302E-04 6 0.3197701E-06 7 0.1153911E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 4 0 0.6816514E-10 1 0.6849777E-04 2 0.2658661E-03 3 0.2735304E-03 4 0.6089042E-03 5 0.2172426E-03 6 0.3213815E-05 7 0.1147871E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 6 -6 0 0.5683198E-06 1 0.9778087E-08 2 0.2032137E-05 3 0.1473113E-05 4 0.6483943E-07 5 0.1598102E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 6 -5 0 0.4464456E-11 1 0.6061641E-06 2 0.2510349E-06 3 0.3690691E-06 4 0.1117269E-06 5 0.1388239E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 6 -4 0 0.5560675E-11 1 0.1008669E-05 2 0.6598205E-05 3 0.7658910E-06 4 0.4183880E-06 5 0.6864467E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 6 -3 0 0.4227228E-06 1 0.6321408E-04 2 0.1014793E-03 3 0.2379575E-05 4 0.2814883E-06 5 0.6443925E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 6 -2 0 0.2519818E-12 1 0.9639703E-03 2 0.2749447E-03 3 0.1983963E-05 4 0.3008759E-06 5 0.2946129E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 6 -1 0 0.1523434E-12 1 0.3082276E-02 2 0.1175362E-03 3 0.2518138E-05 4 0.3829863E-06 5 0.3063538E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 6 0 0 0.7655450E-03 1 0.1424516E-02 2 0.2126523E-03 3 0.3150428E-04 4 0.2835965E-05 5 0.6680155E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 6 1 0 0.2272921E-12 1 0.3082276E-02 2 0.1175362E-03 3 0.2518121E-05 4 0.3829870E-06 5 0.3063568E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 6 2 0 0.2806689E-12 1 0.9639701E-03 2 0.2749446E-03 3 0.1983979E-05 4 0.3008747E-06 5 0.2946140E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 6 3 0 0.4227830E-06 1 0.6321418E-04 2 0.1014793E-03 3 0.2379592E-05 4 0.2814863E-06 5 0.6443941E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 6 4 0 0.4634726E-11 1 0.1008715E-05 2 0.6598173E-05 3 0.7658919E-06 4 0.4183915E-06 5 0.6864440E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 6 5 0 0.3734224E-11 1 0.6061162E-06 2 0.2509590E-06 3 0.3690589E-06 4 0.1117276E-06 5 0.1388260E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 6 6 0 0.5683189E-06 1 0.9765929E-08 2 0.2032148E-05 3 0.1473118E-05 4 0.6484015E-07 5 0.1598082E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 8 -8 0 0.9318392E-16 1 0.1492671E-09 2 0.0000000E+00 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 8 -7 0 0.1480238E-13 1 0.1161532E-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 v, j, mj = 1 8 -6 0 0.3312950E-08 1 0.2497075E-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 v, j, mj = 1 8 -5 0 0.1277440E-14 1 0.7580632E-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 v, j, mj = 1 8 -4 0 0.4926498E-14 1 0.2335968E-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 v, j, mj = 1 8 -3 0 0.1552173E-08 1 0.2015758E-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 v, j, mj = 1 8 -2 0 0.1594711E-14 1 0.6296108E-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 v, j, mj = 1 8 -1 0 0.5250250E-15 1 0.3084092E-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 v, j, mj = 1 8 0 0 0.7486676E-08 1 0.6418927E-07 2 0.0000000E+00 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 8 1 0 0.4772513E-15 1 0.3084086E-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 v, j, mj = 1 8 2 0 0.1545506E-14 1 0.6295989E-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 v, j, mj = 1 8 3 0 0.1552186E-08 1 0.2015818E-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 v, j, mj = 1 8 4 0 0.4829131E-14 1 0.2336029E-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 v, j, mj = 1 8 5 0 0.1159962E-14 1 0.7580564E-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 v, j, mj = 1 8 6 0 0.3313028E-08 1 0.2497054E-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 v, j, mj = 1 8 7 0 0.1498030E-13 1 0.1161498E-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 v, j, mj = 1 8 8 0 0.8982592E-16 1 0.1492710E-09 2 0.0000000E+00 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 2 0 0 0 0.7517226E-07 1 0.8711550E-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 = 0.6304233 average vibrational energy (ev) = 0.390108 average rotational energy (ev) = 0.082090 average diffraction energy (ev) = 0.038328 the reaction probability = 0.3695767D+00 etrans(icomin)= 0.151383 etrans(icomax)= 0.548542 etrans= 0.550000 CPU TIMES Total computation 223194.0194 (a) ... Propagating the wavefunction 222425.2578 (b) Setup time 146.2002 Saving the wave function for rerun 110.8452 Calculating averages 13.4277 Calculating and saving BK-coeffs 45.2540 Asymptotic analysis 24.9726 Saving the flux coefficients 0.0000 Flux analysis 0.0000 ----------------------------------------------------- Sum 222765.9575 (a) ... FFTs along X and Y 17078.2711 Kinetic energy operation along Z 52231.1806 Kinetic energy operation along r 49589.6897 Potential energy multiplication 24784.8210 Legengre transforms 62081.0868 Shifting the wavefunction 6736.4665 Kinetic energy multiplications (xy) 1374.3288 Absorbing the wavefunction 1481.8395 Projection formalism 28.6081 Operations on specular grid 0.1746 ----------------------------------------------------- Sum 215386.4667 (b) ... Potential initialisation time 0.0000 Potential setup time 0.0000 FFTs along X 8963.3080 FFTs along Y 8114.9631 Time spent on FGH for asympwf 0.5817 Ending date and time: Wed Oct 23 10:42:03 CEST 2019