--------------------------- 786 ------------------------------------------- Ref. S.N. Nahar [unpublishes, but were calculated during work on "Electron-ion recombination rate coefficients for Si I, Si II, S II, S III, C II, and C-like ions C I, N II, O III, F IV, Ne V, Na VI, Mg VII, Al VIII, Si IX, and S XI", Sultana N. Nahar, Astrophys. J. Suppl. 101, 423 (1995)] -------------------------------------------------------------------------- N II: Oscillator strengths for dipole allowed transitions - LS multiplets File contents ------------- Line 1 : Z, Nelc -> nuclear charge, number of core electrons Sets of transtions between two symmetris are given next. Each set of transitions has the following information. Line : (SLP)i - (SLP)j -> (2S+1), total L and pi (0 for even, 1 for odd) of transitional symmetries i and j Line : ni nj ntrns -> number of states for symmetries i, j and the total number of transitions Lines - ntrns number of lines: i,j,wl(A),Ei(Ry),Ej(Ry),f,S,A(/s) Note: i) A negative f-value means first transitional state is lower, and a a positive f-value means the second transitional state is lower (see their energies) ii) There are also transitions among negative-positive and positive-positive energy states (above the ionization threshold) which can be ignored. They are related to autoionizing resonances. ----------------------------------------------------------------------- 7 5 1 1 1 1 0 0 :isi,li,ipi,isj,lj,ipj 16 9 144 : ni,nj,ntrs/i,j,wl(A),Ei(Ry),Ej(Ry),f,S,A(/s) 1 1 8.67119E+02 -8.10067E-01 -1.86098E+00 1.648E-02 4.704E-02 4.873E+07 1 2 3.44604E+03 -8.10067E-01 -5.45628E-01 -1.281E-01 4.360E+00 2.158E+08 1 3 1.74956E+03 -8.10067E-01 -2.89212E-01 -3.309E-03 5.718E-02 2.163E+07 1 4 1.44461E+03 -8.10067E-01 -1.79261E-01 -7.343E-04 1.048E-02 7.041E+06 1 5 1.32438E+03 -8.10067E-01 -1.21994E-01 -2.918E-04 3.817E-03 3.329E+06 1 6 1.26269E+03 -8.10067E-01 -8.83807E-02 -1.501E-04 1.872E-03 1.884E+06 1 7 1.22631E+03 -8.10067E-01 -6.69721E-02 -8.903E-05 1.078E-03 1.185E+06 1 8 1.20288E+03 -8.10067E-01 -5.24987E-02 -5.777E-05 6.863E-04 7.989E+05 1 9 1.18684E+03 -8.10067E-01 -4.22576E-02 -3.983E-05 4.669E-04 5.658E+05 2 1 7.37759E+02 -6.25798E-01 -1.86098E+00 2.959E-01 7.187E-01 1.209E+09 2 2 1.13667E+04 -6.25798E-01 -5.45628E-01 -1.865E-03 2.094E-01 2.888E+05 2 3 2.70738E+03 -6.25798E-01 -2.89212E-01 -1.994E-03 5.332E-02 5.443E+06 2 4 2.04074E+03 -6.25798E-01 -1.79261E-01 -8.183E-04 1.649E-02 3.932E+06 2 5 1.80877E+03 -6.25798E-01 -1.21994E-01 -4.263E-04 7.616E-03 2.607E+06 2 6 1.69564E+03 -6.25798E-01 -8.83807E-02 -2.532E-04 4.240E-03 1.762E+06 2 7 1.63068E+03 -6.25798E-01 -6.69721E-02 -1.636E-04 2.634E-03 1.231E+06 2 8 1.58951E+03 -6.25798E-01 -5.24987E-02 -1.121E-04 1.760E-03 8.878E+05 2 9 1.56162E+03 -6.25798E-01 -4.22576E-02 -8.027E-05 1.238E-03 6.586E+05 3 1 6.40837E+02 -4.38985E-01 -1.86098E+00 4.168E-01 8.793E-01 2.256E+09 3 2 8.54502E+03 -4.38985E-01 -5.45628E-01 7.184E-01 2.021E+01 2.187E+07 3 3 6.08432E+03 -4.38985E-01 -2.89212E-01 -8.713E-02 5.236E+00 4.710E+07 3 4 3.50860E+03 -4.38985E-01 -1.79261E-01 -1.075E-02 3.726E-01 1.748E+07 3 5 2.87474E+03 -4.38985E-01 -1.21994E-01 -3.663E-03 1.040E-01 8.870E+06 3 6 2.59913E+03 -4.38985E-01 -8.83807E-02 -1.753E-03 4.501E-02 5.193E+06 3 7 2.44956E+03 -4.38985E-01 -6.69721E-02 -9.963E-04 2.410E-02 3.323E+06 3 8 2.35783E+03 -4.38985E-01 -5.24987E-02 -6.283E-04 1.463E-02 2.262E+06 3 9 2.29696E+03 -4.38985E-01 -4.22576E-02 -4.250E-04 9.641E-03 1.612E+06 4 1 6.11672E+02 -3.71184E-01 -1.86098E+00 6.782E-02 1.366E-01 4.030E+08 4 2 5.22384E+03 -3.71184E-01 -5.45628E-01 9.800E-02 1.685E+00 7.984E+06 4 3 1.11168E+04 -3.71184E-01 -2.89212E-01 -1.368E-01 1.502E+01 2.215E+07 4 4 4.74809E+03 -3.71184E-01 -1.79261E-01 -1.528E-03 7.165E-02 1.356E+06 4 5 3.65692E+03 -3.71184E-01 -1.21994E-01 -1.764E-04 6.371E-03 2.639E+05 4 6 3.22226E+03 -3.71184E-01 -8.83807E-02 -4.037E-05 1.285E-03 7.779E+04 4 7 2.99550E+03 -3.71184E-01 -6.69721E-02 -1.305E-05 3.861E-04 2.910E+04 4 8 2.85946E+03 -3.71184E-01 -5.24987E-02 -5.230E-06 1.477E-04 1.280E+04 4 9 2.77043E+03 -3.71184E-01 -4.22576E-02 -2.430E-06 6.650E-05 6.336E+03 5 1 5.65298E+02 -2.48967E-01 -1.86098E+00 1.587E-01 2.953E-01 1.104E+09 5 2 3.07175E+03 -2.48967E-01 -5.45628E-01 9.173E-02 9.276E-01 2.161E+07 5 3 2.26430E+04 -2.48967E-01 -2.89212E-01 1.049E+00 7.820E+01 4.549E+06 5 4 1.30730E+04 -2.48967E-01 -1.79261E-01 -1.467E-01 1.894E+01 1.717E+07 5 5 7.17686E+03 -2.48967E-01 -1.21994E-01 -1.928E-02 1.366E+00 7.489E+06 5 6 5.67462E+03 -2.48967E-01 -8.83807E-02 -6.703E-03 3.757E-01 4.165E+06 5 7 5.00710E+03 -2.48967E-01 -6.69721E-02 -3.251E-03 1.608E-01 2.595E+06 5 8 4.63824E+03 -2.48967E-01 -5.24987E-02 -1.868E-03 8.559E-02 1.738E+06 5 9 4.40845E+03 -2.48967E-01 -4.22576E-02 -1.190E-03 5.180E-02 1.225E+06 6 1 5.54731E+02 -2.18260E-01 -1.86098E+00 2.189E-02 3.998E-02 1.582E+08 6 2 2.78362E+03 -2.18260E-01 -5.45628E-01 1.663E-02 1.524E-01 4.772E+06 6 3 1.28434E+04 -2.18260E-01 -2.89212E-01 1.997E-01 8.444E+00 2.692E+06 6 4 2.33664E+04 -2.18260E-01 -1.79261E-01 -1.751E-01 4.040E+01 6.416E+06 6 5 9.46614E+03 -2.18260E-01 -1.21994E-01 -2.912E-03 2.722E-01 6.502E+05 6 6 7.01626E+03 -2.18260E-01 -8.83807E-02 -4.557E-04 3.158E-02 1.852E+05 6 7 6.02340E+03 -2.18260E-01 -6.69721E-02 -1.362E-04 8.102E-03 7.512E+04 6 8 5.49747E+03 -2.18260E-01 -5.24987E-02 -5.603E-05 3.042E-03 3.710E+04 6 9 5.17758E+03 -2.18260E-01 -4.22576E-02 -2.794E-05 1.429E-03 2.085E+04 7 1 5.35625E+02 -1.59666E-01 -1.86098E+00 7.668E-02 1.352E-01 5.942E+08 7 2 2.36103E+03 -1.59666E-01 -5.45628E-01 4.395E-02 3.416E-01 1.753E+07 7 3 7.03431E+03 -1.59666E-01 -2.89212E-01 5.622E-02 1.302E+00 2.526E+06 7 4 4.65051E+04 -1.59666E-01 -1.79261E-01 1.351E+00 2.068E+02 1.389E+06 7 5 2.41895E+04 -1.59666E-01 -1.21994E-01 -2.120E-01 5.065E+01 7.250E+06 7 6 1.27834E+04 -1.59666E-01 -8.83807E-02 -2.848E-02 3.595E+00 3.487E+06 7 7 9.83093E+03 -1.59666E-01 -6.69721E-02 -9.997E-03 9.706E-01 2.070E+06 7 8 8.50322E+03 -1.59666E-01 -5.24987E-02 -4.883E-03 4.101E-01 1.351E+06 7 9 7.76152E+03 -1.59666E-01 -4.22576E-02 -2.825E-03 2.165E-01 9.382E+05 8 1 5.30554E+02 -1.43403E-01 -1.86098E+00 1.032E-02 1.803E-02 8.151E+07 8 2 2.26557E+03 -1.43403E-01 -5.45628E-01 6.094E-03 4.545E-02 2.640E+06 8 3 6.24973E+03 -1.43403E-01 -2.89212E-01 2.358E-02 4.852E-01 1.342E+06 8 4 2.54132E+04 -1.43403E-01 -1.79261E-01 2.935E-01 2.456E+01 1.010E+06 8 5 4.25647E+04 -1.43403E-01 -1.21994E-01 -2.088E-01 8.779E+01 2.306E+06 8 6 1.65618E+04 -1.43403E-01 -8.83807E-02 -4.123E-03 6.745E-01 3.008E+05 8 7 1.19228E+04 -1.43403E-01 -6.69721E-02 -7.227E-04 8.510E-02 1.017E+05 8 8 1.00245E+04 -1.43403E-01 -5.24987E-02 -2.349E-04 2.326E-02 4.678E+04 8 9 9.00948E+03 -1.43403E-01 -4.22576E-02 -1.032E-04 9.180E-03 2.543E+04 9 1 5.20721E+02 -1.10970E-01 -1.86098E+00 4.295E-02 7.363E-02 3.522E+08 9 2 2.09652E+03 -1.10970E-01 -5.45628E-01 2.327E-02 1.606E-01 1.177E+07 9 3 5.11253E+03 -1.10970E-01 -2.89212E-01 3.132E-02 5.271E-01 2.664E+06 9 4 1.33439E+04 -1.10970E-01 -1.79261E-01 3.990E-02 1.753E+00 4.982E+05 9 5 8.26621E+04 -1.10970E-01 -1.21994E-01 1.639E+00 4.460E+02 5.333E+05 9 6 4.03407E+04 -1.10970E-01 -8.83807E-02 -2.791E-01 1.112E+02 3.431E+06 9 7 2.07116E+04 -1.10970E-01 -6.69721E-02 -3.783E-02 7.739E+00 1.765E+06 9 8 1.55849E+04 -1.10970E-01 -5.24987E-02 -1.335E-02 2.055E+00 1.100E+06 9 9 1.32620E+04 -1.10970E-01 -4.22576E-02 -6.550E-03 8.579E-01 7.452E+05 10 1 5.17879E+02 -1.01365E-01 -1.86098E+00 5.773E-03 9.842E-03 4.786E+07 10 2 2.05119E+03 -1.01365E-01 -5.45628E-01 2.993E-03 2.021E-02 1.582E+06 10 3 4.85111E+03 -1.01365E-01 -2.89212E-01 8.426E-03 1.346E-01 7.960E+05 10 4 1.16985E+04 -1.01365E-01 -1.79261E-01 3.009E-02 1.159E+00 4.888E+05 10 5 4.41741E+04 -1.01365E-01 -1.21994E-01 3.856E-01 5.608E+01 4.393E+05 10 6 7.01822E+04 -1.01365E-01 -8.83807E-02 -2.417E-01 1.676E+02 9.820E+05 10 7 2.64958E+04 -1.01365E-01 -6.69721E-02 -5.300E-03 1.387E+00 1.511E+05 10 8 1.86482E+04 -1.01365E-01 -5.24987E-02 -9.920E-04 1.827E-01 5.708E+04 10 9 1.54171E+04 -1.01365E-01 -4.22576E-02 -3.383E-04 5.152E-02 2.848E+04 11 1 5.12115E+02 -8.15618E-02 -1.86098E+00 2.652E-02 4.471E-02 2.248E+08 11 2 1.96366E+03 -8.15618E-02 -5.45628E-01 1.379E-02 8.915E-02 7.951E+06 11 3 4.38847E+03 -8.15618E-02 -2.89212E-01 1.785E-02 2.579E-01 2.061E+06 11 4 9.32727E+03 -8.15618E-02 -1.79261E-01 2.461E-02 7.557E-01 6.289E+05 11 5 2.25381E+04 -8.15618E-02 -1.21994E-01 3.075E-02 2.282E+00 1.346E+05 11 6 1.33638E+05 -8.15618E-02 -8.83807E-02 1.919E+00 8.443E+02 2.389E+05 11 7 6.24596E+04 -8.15618E-02 -6.69721E-02 -3.470E-01 2.141E+02 1.780E+06 11 8 3.13548E+04 -8.15618E-02 -5.24987E-02 -4.727E-02 1.464E+01 9.620E+05 11 9 2.31850E+04 -8.15618E-02 -4.22576E-02 -1.672E-02 3.828E+00 6.223E+05 12 1 5.10356E+02 -7.54297E-02 -1.86098E+00 3.577E-03 6.010E-03 3.053E+07 12 2 1.93805E+03 -7.54297E-02 -5.45628E-01 1.717E-03 1.095E-02 1.016E+06 12 3 4.26259E+03 -7.54297E-02 -2.89212E-01 4.177E-03 5.862E-02 5.111E+05 12 4 8.77642E+03 -7.54297E-02 -1.79261E-01 1.045E-02 3.019E-01 3.016E+05 12 5 1.95701E+04 -7.54297E-02 -1.21994E-01 3.652E-02 2.353E+00 2.120E+05 12 6 7.03627E+04 -7.54297E-02 -8.83807E-02 4.770E-01 1.105E+02 2.142E+05 12 7 1.07745E+05 -7.54297E-02 -6.69721E-02 -2.743E-01 2.919E+02 4.727E+05 12 8 3.97395E+04 -7.54297E-02 -5.24987E-02 -6.453E-03 2.533E+00 8.177E+04 12 9 2.74709E+04 -7.54297E-02 -4.22576E-02 -1.264E-03 3.429E-01 3.351E+04 13 1 5.06676E+02 -6.24602E-02 -1.86098E+00 1.753E-02 2.924E-02 1.518E+08 13 2 1.88603E+03 -6.24602E-02 -5.45628E-01 8.871E-03 5.508E-02 5.545E+06 13 3 4.01879E+03 -6.24602E-02 -2.89212E-01 1.111E-02 1.470E-01 1.529E+06 13 4 7.80189E+03 -6.24602E-02 -1.79261E-01 1.468E-02 3.771E-01 5.362E+05 13 5 1.53067E+04 -6.24602E-02 -1.21994E-01 2.055E-02 1.036E+00 1.950E+05 13 6 3.51562E+04 -6.24602E-02 -8.83807E-02 2.497E-02 2.890E+00 4.492E+04 13 7 2.01970E+05 -6.24602E-02 -6.69721E-02 2.195E+00 1.459E+03 1.196E+05 13 8 9.14789E+04 -6.24602E-02 -5.24987E-02 -4.153E-01 3.752E+02 9.931E+05 13 9 4.51064E+04 -6.24602E-02 -4.22576E-02 -5.670E-02 2.526E+01 5.576E+05 14 1 5.05510E+02 -5.83114E-02 -1.86098E+00 2.377E-03 3.956E-03 2.068E+07 14 2 1.86997E+03 -5.83114E-02 -5.45628E-01 1.085E-03 6.679E-03 6.898E+05 14 3 3.94658E+03 -5.83114E-02 -2.89212E-01 2.434E-03 3.162E-02 3.474E+05 14 4 7.53427E+03 -5.83114E-02 -1.79261E-01 5.153E-03 1.278E-01 2.018E+05 14 5 1.43095E+04 -5.83114E-02 -1.21994E-01 1.241E-02 5.846E-01 1.347E+05 14 6 3.03056E+04 -5.83114E-02 -8.83807E-02 4.291E-02 4.281E+00 1.039E+05 14 7 1.05219E+05 -5.83114E-02 -6.69721E-02 5.680E-01 1.968E+02 1.141E+05 14 8 1.56772E+05 -5.83114E-02 -5.24987E-02 -3.066E-01 4.748E+02 2.496E+05 14 9 5.67633E+04 -5.83114E-02 -4.22576E-02 -7.597E-03 4.259E+00 4.718E+04 15 1 5.03012E+02 -4.93584E-02 -1.86098E+00 1.221E-02 2.022E-02 1.073E+08 15 2 1.83623E+03 -4.93584E-02 -5.45628E-01 6.055E-03 3.660E-02 3.993E+06 15 3 3.79926E+03 -4.93584E-02 -2.89212E-01 7.405E-03 9.262E-02 1.141E+06 15 4 7.01500E+03 -4.93584E-02 -1.79261E-01 9.424E-03 2.176E-01 4.258E+05 15 5 1.25457E+04 -4.93584E-02 -1.21994E-01 1.266E-02 5.229E-01 1.788E+05 15 6 2.33525E+04 -4.93584E-02 -8.83807E-02 1.787E-02 1.374E+00 7.285E+04 15 7 5.17363E+04 -4.93584E-02 -6.69721E-02 2.102E-02 3.580E+00 1.746E+04 15 8 2.90185E+05 -4.93584E-02 -5.24987E-02 2.468E+00 2.358E+03 6.516E+04 15 9 1.28333E+05 -4.93584E-02 -4.22576E-02 -4.843E-01 6.139E+02 5.884E+05 16 1 5.02198E+02 -4.64227E-02 -1.86098E+00 1.662E-03 2.748E-03 1.465E+07 16 2 1.82544E+03 -4.64227E-02 -5.45628E-01 7.338E-04 4.410E-03 4.896E+05 16 3 3.75332E+03 -4.64227E-02 -2.89212E-01 1.563E-03 1.931E-02 2.467E+05 16 4 6.85997E+03 -4.64227E-02 -1.79261E-01 3.009E-03 6.795E-02 1.422E+05 16 5 1.20584E+04 -4.64227E-02 -1.21994E-01 6.078E-03 2.413E-01 9.293E+04 16 6 2.17186E+04 -4.64227E-02 -8.83807E-02 1.434E-02 1.025E+00 6.759E+04 16 7 4.43452E+04 -4.64227E-02 -6.69721E-02 4.928E-02 7.194E+00 5.571E+04 16 8 1.49978E+05 -4.64227E-02 -5.24987E-02 6.588E-01 3.253E+02 6.512E+04 16 9 2.18786E+05 -4.64227E-02 -4.22576E-02 -3.390E-01 7.325E+02 1.417E+05 1 0 1 1 1 0 :isi,li,ipi,isj,lj,ipj 8 8 64 : ni,nj,ntrs/i,j,wl(A),Ei(Ry),Ej(Ry),f,S,A(/s) 1 1 6.87607E+02 6.51900E-01 -6.73374E-01 1.490E-01 1.012E+00 6.304E+09 1 2 9.25463E+02 6.51900E-01 -3.32761E-01 2.511E-04 2.295E-03 5.866E+06 1 3 1.07001E+03 6.51900E-01 -1.99741E-01 1.234E-04 1.304E-03 2.157E+06 1 4 1.16060E+03 6.51900E-01 -1.33267E-01 7.153E-05 8.200E-04 1.063E+06 1 5 1.21967E+03 6.51900E-01 -9.52452E-02 4.520E-05 5.445E-04 6.080E+05 1 6 1.25977E+03 6.51900E-01 -7.14602E-02 3.033E-05 3.773E-04 3.824E+05 1 7 1.28802E+03 6.51900E-01 -5.55931E-02 2.129E-05 2.709E-04 2.568E+05 1 8 1.30858E+03 6.51900E-01 -4.44810E-02 1.550E-05 2.003E-04 1.811E+05 2 1 5.45961E+02 9.95734E-01 -6.73374E-01 4.407E-05 2.376E-04 2.958E+06 2 2 6.85939E+02 9.95734E-01 -3.32761E-01 1.348E-01 9.132E-01 5.733E+09 2 3 7.62264E+02 9.95734E-01 -1.99741E-01 1.649E-05 1.242E-04 5.680E+05 2 4 8.07145E+02 9.95734E-01 -1.33267E-01 8.053E-06 6.420E-05 2.473E+05 2 5 8.35274E+02 9.95734E-01 -9.52452E-02 4.693E-06 3.872E-05 1.346E+05 2 6 8.53891E+02 9.95734E-01 -7.14602E-02 2.995E-06 2.526E-05 8.220E+04 2 7 8.66778E+02 9.95734E-01 -5.55931E-02 2.032E-06 1.740E-05 5.413E+04 2 8 8.76037E+02 9.95734E-01 -4.44810E-02 1.444E-06 1.249E-05 3.764E+04 3 1 5.05609E+02 1.12894E+00 -6.73374E-01 1.371E-05 6.845E-05 1.073E+06 3 2 6.23429E+02 1.12894E+00 -3.32761E-01 2.925E-06 1.801E-05 1.506E+05 3 3 6.85843E+02 1.12894E+00 -1.99741E-01 1.325E-01 8.975E-01 5.636E+09 3 4 7.21963E+02 1.12894E+00 -1.33267E-01 4.707E-06 3.356E-05 1.807E+05 3 5 7.44387E+02 1.12894E+00 -9.52452E-02 2.058E-06 1.513E-05 7.432E+04 3 6 7.59136E+02 1.12894E+00 -7.14602E-02 1.182E-06 8.865E-06 4.105E+04 3 7 7.69305E+02 1.12894E+00 -5.55931E-02 7.600E-07 5.774E-06 2.570E+04 3 8 7.76590E+02 1.12894E+00 -4.44810E-02 5.223E-07 4.006E-06 1.733E+04 4 1 4.87607E+02 1.19548E+00 -6.73374E-01 5.530E-06 2.663E-05 4.654E+05 4 2 5.96285E+02 1.19548E+00 -3.32761E-01 1.245E-06 7.330E-06 7.005E+04 4 3 6.53135E+02 1.19548E+00 -1.99741E-01 4.897E-11 3.159E-10 2.297E+00 4 4 6.85809E+02 1.19548E+00 -1.33267E-01 1.318E-01 8.927E-01 5.607E+09 4 5 7.06012E+02 1.19548E+00 -9.52452E-02 3.166E-06 2.208E-05 1.271E+05 4 6 7.19266E+02 1.19548E+00 -7.14602E-02 1.158E-06 8.224E-06 4.478E+04 4 7 7.28388E+02 1.19548E+00 -5.55931E-02 6.277E-07 4.515E-06 2.367E+04 4 8 7.34916E+02 1.19548E+00 -4.44810E-02 3.950E-07 2.867E-06 1.463E+04 5 1 4.77875E+02 1.23354E+00 -6.73374E-01 2.609E-06 1.231E-05 2.286E+05 5 2 5.81796E+02 1.23354E+00 -3.32761E-01 5.400E-07 3.103E-06 3.192E+04 5 3 6.35791E+02 1.23354E+00 -1.99741E-01 8.713E-09 5.471E-08 4.313E+02 5 4 6.66712E+02 1.23354E+00 -1.33267E-01 7.527E-07 4.956E-06 3.388E+04 5 5 6.85790E+02 1.23354E+00 -9.52452E-02 1.315E-01 8.907E-01 5.595E+09 5 6 6.98289E+02 1.23354E+00 -7.14602E-02 3.254E-06 2.244E-05 1.335E+05 5 7 7.06884E+02 1.23354E+00 -5.55931E-02 1.027E-06 7.172E-06 4.114E+04 5 8 7.13030E+02 1.23354E+00 -4.44810E-02 5.223E-07 3.678E-06 2.056E+04 6 1 4.71982E+02 1.25735E+00 -6.73374E-01 1.365E-06 6.361E-06 1.226E+05 6 2 5.73084E+02 1.25735E+00 -3.32761E-01 2.501E-07 1.416E-06 1.524E+04 6 3 6.25402E+02 1.25735E+00 -1.99741E-01 2.126E-09 1.313E-08 1.087E+02 6 4 6.55297E+02 1.25735E+00 -1.33267E-01 1.803E-07 1.167E-06 8.400E+03 6 5 6.73718E+02 1.25735E+00 -9.52452E-02 2.012E-06 1.339E-05 8.870E+04 6 6 6.85777E+02 1.25735E+00 -7.14602E-02 1.314E-01 8.900E-01 5.591E+09 6 7 6.94064E+02 1.25735E+00 -5.55931E-02 3.853E-06 2.641E-05 1.601E+05 6 8 6.99989E+02 1.25735E+00 -4.44810E-02 1.111E-06 7.681E-06 4.537E+04 7 1 4.68132E+02 1.27323E+00 -6.73374E-01 7.700E-07 3.560E-06 7.031E+04 7 2 5.67417E+02 1.27323E+00 -3.32761E-01 1.222E-07 6.846E-07 7.592E+03 7 3 6.18659E+02 1.27323E+00 -1.99741E-01 6.537E-13 3.994E-12 3.417E-02 7 4 6.47898E+02 1.27323E+00 -1.33267E-01 9.723E-08 6.222E-07 4.635E+03 7 5 6.65900E+02 1.27323E+00 -9.52452E-02 5.493E-07 3.613E-06 2.479E+04 7 6 6.77678E+02 1.27323E+00 -7.14602E-02 3.329E-06 2.228E-05 1.451E+05 7 7 6.85770E+02 1.27323E+00 -5.55931E-02 1.313E-01 8.895E-01 5.588E+09 7 8 6.91553E+02 1.27323E+00 -4.44810E-02 4.670E-06 3.190E-05 1.954E+05 8 1 4.65470E+02 1.28436E+00 -6.73374E-01 4.613E-07 2.121E-06 4.261E+04 8 2 5.63512E+02 1.28436E+00 -3.32761E-01 6.213E-08 3.458E-07 3.915E+03 8 3 6.14020E+02 1.28436E+00 -1.99741E-01 9.677E-10 5.868E-09 5.136E+01 8 4 6.42812E+02 1.28436E+00 -1.33267E-01 6.980E-08 4.431E-07 3.380E+03 8 5 6.60527E+02 1.28436E+00 -9.52452E-02 2.804E-07 1.829E-06 1.286E+04 8 6 6.72115E+02 1.28436E+00 -7.14602E-02 9.243E-07 6.136E-06 4.094E+04 8 7 6.80074E+02 1.28436E+00 -5.55931E-02 4.607E-06 3.094E-05 1.993E+05 8 8 6.85761E+02 1.28436E+00 -4.44810E-02 1.313E-01 8.893E-01 5.587E+09 1 1 1 1 1 0 :isi,li,ipi,isj,lj,ipj 16 8 128 : ni,nj,ntrs/i,j,wl(A),Ei(Ry),Ej(Ry),f,S,A(/s) 1 1 6.66652E+03 -8.10067E-01 -6.73374E-01 -1.944E-01 1.280E+01 2.918E+07 1 2 1.90919E+03 -8.10067E-01 -3.32761E-01 -2.476E-02 4.668E-01 4.530E+07 1 3 1.49308E+03 -8.10067E-01 -1.99741E-01 -1.063E-02 1.567E-01 3.179E+07 1 4 1.34643E+03 -8.10067E-01 -1.33267E-01 -5.517E-03 7.336E-02 2.030E+07 1 5 1.27482E+03 -8.10067E-01 -9.52452E-02 -3.248E-03 4.090E-02 1.333E+07 1 6 1.23376E+03 -8.10067E-01 -7.14602E-02 -2.080E-03 2.534E-02 9.113E+06 1 7 1.20782E+03 -8.10067E-01 -5.55931E-02 -1.414E-03 1.687E-02 6.465E+06 1 8 1.19029E+03 -8.10067E-01 -4.44810E-02 -1.006E-03 1.182E-02 4.734E+06 2 1 1.91539E+04 -6.25798E-01 -6.73374E-01 1.899E-02 3.593E+00 3.453E+05 2 2 3.10973E+03 -6.25798E-01 -3.32761E-01 -2.708E-02 8.316E-01 1.868E+07 2 3 2.13884E+03 -6.25798E-01 -1.99741E-01 -5.260E-03 1.111E-01 7.669E+06 2 4 1.85017E+03 -6.25798E-01 -1.33267E-01 -2.003E-03 3.661E-02 3.903E+06 2 5 1.71758E+03 -6.25798E-01 -9.52452E-02 -1.001E-03 1.697E-02 2.262E+06 2 6 1.64388E+03 -6.25798E-01 -7.14602E-02 -5.800E-04 9.417E-03 1.432E+06 2 7 1.59814E+03 -6.25798E-01 -5.55931E-02 -3.693E-04 5.829E-03 9.645E+05 2 8 1.56759E+03 -6.25798E-01 -4.44810E-02 -2.509E-04 3.885E-03 6.811E+05 3 1 3.88784E+03 -4.38985E-01 -6.73374E-01 1.504E-01 5.776E+00 6.638E+07 3 2 8.57873E+03 -4.38985E-01 -3.32761E-01 -2.245E-02 1.902E+00 2.034E+06 3 3 3.80894E+03 -4.38985E-01 -1.99741E-01 -2.792E-03 1.050E-01 1.284E+06 3 4 2.98074E+03 -4.38985E-01 -1.33267E-01 -1.036E-03 3.050E-02 7.777E+05 3 5 2.65104E+03 -4.38985E-01 -9.52452E-02 -5.210E-04 1.364E-02 4.944E+05 3 6 2.47947E+03 -4.38985E-01 -7.14602E-02 -3.050E-04 7.468E-03 3.309E+05 3 7 2.37686E+03 -4.38985E-01 -5.55931E-02 -1.959E-04 4.598E-03 2.312E+05 3 8 2.30991E+03 -4.38985E-01 -4.44810E-02 -1.341E-04 3.059E-03 1.676E+05 4 1 3.01554E+03 -3.71184E-01 -6.73374E-01 1.296E-01 3.860E+00 9.506E+07 4 2 2.37167E+04 -3.71184E-01 -3.32761E-01 -3.264E-01 7.646E+01 3.871E+06 4 3 5.31528E+03 -3.71184E-01 -1.99741E-01 -3.007E-02 1.579E+00 7.100E+06 4 4 3.83019E+03 -3.71184E-01 -1.33267E-01 -1.183E-02 4.474E-01 5.377E+06 4 5 3.30242E+03 -3.71184E-01 -9.52452E-02 -5.970E-03 1.947E-01 3.651E+06 4 6 3.04036E+03 -3.71184E-01 -7.14602E-02 -3.490E-03 1.048E-01 2.518E+06 4 7 2.88749E+03 -3.71184E-01 -5.55931E-02 -2.238E-03 6.381E-02 1.790E+06 4 8 2.78928E+03 -3.71184E-01 -4.44810E-02 -1.529E-03 4.213E-02 1.311E+06 5 1 2.14715E+03 -2.48967E-01 -6.73374E-01 9.907E-07 2.101E-05 1.433E+03 5 2 1.08751E+04 -2.48967E-01 -3.32761E-01 2.349E-01 2.523E+01 1.325E+07 5 3 1.85119E+04 -2.48967E-01 -1.99741E-01 -7.360E-02 1.346E+01 1.432E+06 5 4 7.87612E+03 -2.48967E-01 -1.33267E-01 -6.017E-03 4.680E-01 6.469E+05 5 5 5.92803E+03 -2.48967E-01 -9.52452E-02 -2.025E-03 1.186E-01 3.844E+05 5 6 5.13370E+03 -2.48967E-01 -7.14602E-02 -9.837E-04 4.987E-02 2.489E+05 5 7 4.71246E+03 -2.48967E-01 -5.55931E-02 -5.680E-04 2.644E-02 1.706E+05 5 8 4.45638E+03 -2.48967E-01 -4.44810E-02 -3.633E-04 1.599E-02 1.220E+05 6 1 2.00228E+03 -2.18260E-01 -6.73374E-01 2.184E-02 4.318E-01 3.633E+07 6 2 7.95860E+03 -2.18260E-01 -3.32761E-01 2.116E-01 1.663E+01 2.228E+07 6 3 4.92071E+04 -2.18260E-01 -1.99741E-01 -4.540E-01 2.206E+02 1.251E+06 6 4 1.07217E+04 -2.18260E-01 -1.33267E-01 -2.646E-02 2.802E+00 1.535E+06 6 5 7.40778E+03 -2.18260E-01 -9.52452E-02 -1.102E-02 8.065E-01 1.340E+06 6 6 6.20755E+03 -2.18260E-01 -7.14602E-02 -5.717E-03 3.505E-01 9.895E+05 6 7 5.60204E+03 -2.18260E-01 -5.55931E-02 -3.410E-03 1.887E-01 7.247E+05 6 8 5.24383E+03 -2.18260E-01 -4.44810E-02 -2.223E-03 1.151E-01 5.392E+05 7 1 1.77390E+03 -1.59666E-01 -6.73374E-01 5.160E-04 9.040E-03 1.094E+06 7 2 5.26455E+03 -1.59666E-01 -3.32761E-01 2.580E-03 1.341E-01 6.208E+05 7 3 2.27390E+04 -1.59666E-01 -1.99741E-01 2.952E-01 6.629E+01 3.807E+06 7 4 3.45190E+04 -1.59666E-01 -1.33267E-01 -1.233E-01 4.205E+01 6.904E+05 7 5 1.41455E+04 -1.59666E-01 -9.52452E-02 -9.087E-03 1.269E+00 3.029E+05 7 6 1.03311E+04 -1.59666E-01 -7.14602E-02 -2.970E-03 3.030E-01 1.856E+05 7 7 8.75605E+03 -1.59666E-01 -5.55931E-02 -1.428E-03 1.235E-01 1.242E+05 7 8 7.91133E+03 -1.59666E-01 -4.44810E-02 -8.230E-04 6.431E-02 8.770E+04 8 1 1.71947E+03 -1.43403E-01 -6.73374E-01 8.097E-03 1.375E-01 1.827E+07 8 2 4.81240E+03 -1.43403E-01 -3.32761E-01 3.510E-02 1.668E+00 1.011E+07 8 3 1.61750E+04 -1.43403E-01 -1.99741E-01 2.950E-01 4.712E+01 7.520E+06 8 4 8.99041E+04 -1.43403E-01 -1.33267E-01 -5.687E-01 5.049E+02 4.693E+05 8 5 1.89225E+04 -1.43403E-01 -9.52452E-02 -2.572E-02 4.806E+00 4.790E+05 8 6 1.26666E+04 -1.43403E-01 -7.14602E-02 -1.101E-02 1.378E+00 4.578E+05 8 7 1.03777E+04 -1.43403E-01 -5.55931E-02 -5.797E-03 5.941E-01 3.590E+05 8 8 9.21198E+03 -1.43403E-01 -4.44810E-02 -3.497E-03 3.181E-01 2.748E+05 9 1 1.62031E+03 -1.10970E-01 -6.73374E-01 5.363E-04 8.583E-03 1.363E+06 9 2 4.10867E+03 -1.10970E-01 -3.32761E-01 8.513E-05 3.455E-03 3.364E+04 9 3 1.02654E+04 -1.10970E-01 -1.99741E-01 6.113E-03 6.198E-01 3.869E+05 9 4 4.08695E+04 -1.10970E-01 -1.33267E-01 3.493E-01 1.410E+02 1.395E+06 9 5 5.79509E+04 -1.10970E-01 -9.52452E-02 -1.727E-01 9.882E+01 3.429E+05 9 6 2.30643E+04 -1.10970E-01 -7.14602E-02 -1.200E-02 2.733E+00 1.505E+05 9 7 1.64557E+04 -1.10970E-01 -5.55931E-02 -3.853E-03 6.263E-01 9.491E+04 9 8 1.37055E+04 -1.10970E-01 -4.44810E-02 -1.842E-03 2.493E-01 6.541E+04 10 1 1.59310E+03 -1.01365E-01 -6.73374E-01 4.017E-03 6.320E-02 1.056E+07 10 2 3.93813E+03 -1.01365E-01 -3.32761E-01 1.309E-02 5.093E-01 5.631E+06 10 3 9.26310E+03 -1.01365E-01 -1.99741E-01 4.863E-02 4.449E+00 3.780E+06 10 4 2.85646E+04 -1.01365E-01 -1.33267E-01 3.787E-01 1.068E+02 3.095E+06 10 5 1.48905E+05 -1.01365E-01 -9.52452E-02 -6.800E-01 1.000E+03 2.046E+05 10 6 3.04723E+04 -1.01365E-01 -7.14602E-02 -2.590E-02 7.794E+00 1.860E+05 10 7 1.99089E+04 -1.01365E-01 -5.55931E-02 -1.127E-02 2.215E+00 1.896E+05 10 8 1.60197E+04 -1.01365E-01 -4.44810E-02 -5.980E-03 9.461E-01 1.554E+05 11 1 1.53979E+03 -8.15618E-02 -6.73374E-01 4.220E-04 6.418E-03 1.187E+06 11 2 3.62767E+03 -8.15618E-02 -3.32761E-01 4.227E-07 1.514E-05 2.142E+02 11 3 7.71089E+03 -8.15618E-02 -1.99741E-01 7.137E-04 5.435E-02 8.006E+04 11 4 1.76243E+04 -8.15618E-02 -1.33267E-01 9.577E-03 1.667E+00 2.056E+05 11 5 6.65965E+04 -8.15618E-02 -9.52452E-02 4.010E-01 2.638E+02 6.031E+05 11 6 9.02102E+04 -8.15618E-02 -7.14602E-02 -2.217E-01 1.975E+02 1.817E+05 11 7 3.50910E+04 -8.15618E-02 -5.55931E-02 -1.478E-02 5.122E+00 8.006E+04 11 8 2.45752E+04 -8.15618E-02 -4.44810E-02 -4.683E-03 1.137E+00 5.172E+04 12 1 1.52400E+03 -7.54297E-02 -6.73374E-01 2.322E-03 3.495E-02 6.668E+06 12 2 3.54122E+03 -7.54297E-02 -3.32761E-01 6.563E-03 2.295E-01 3.491E+06 12 3 7.33052E+03 -7.54297E-02 -1.99741E-01 1.817E-02 1.316E+00 2.256E+06 12 4 1.57557E+04 -7.54297E-02 -1.33267E-01 6.220E-02 9.679E+00 1.671E+06 12 5 4.59876E+04 -7.54297E-02 -9.52452E-02 4.623E-01 2.100E+02 1.458E+06 12 6 2.29567E+05 -7.54297E-02 -7.14602E-02 -7.893E-01 1.790E+03 9.990E+04 12 7 4.59387E+04 -7.54297E-02 -5.55931E-02 -2.652E-02 1.203E+01 8.381E+04 12 8 2.94444E+04 -7.54297E-02 -4.44810E-02 -1.165E-02 3.387E+00 8.960E+04 13 1 1.49165E+03 -6.24602E-02 -6.73374E-01 3.169E-04 4.668E-03 9.499E+05 13 2 3.37131E+03 -6.24602E-02 -3.32761E-01 1.318E-05 4.390E-04 7.736E+03 13 3 6.63798E+03 -6.24602E-02 -1.99741E-01 1.383E-04 9.069E-03 2.094E+04 13 4 1.28698E+04 -6.24602E-02 -1.33267E-01 1.536E-03 1.953E-01 6.187E+04 13 5 2.77952E+04 -6.24602E-02 -9.52452E-02 1.289E-02 3.539E+00 1.113E+05 13 6 1.01252E+05 -6.24602E-02 -7.14602E-02 4.510E-01 4.510E+02 2.934E+05 13 7 1.32700E+05 -6.24602E-02 -5.55931E-02 -2.705E-01 3.545E+02 1.024E+05 13 8 5.06845E+04 -6.24602E-02 -4.44810E-02 -1.745E-02 8.737E+00 4.532E+04 14 1 1.48158E+03 -5.83114E-02 -6.73374E-01 1.476E-03 2.160E-02 4.486E+06 14 2 3.32034E+03 -5.83114E-02 -3.32761E-01 3.840E-03 1.259E-01 2.323E+06 14 3 6.44326E+03 -5.83114E-02 -1.99741E-01 9.153E-03 5.825E-01 1.471E+06 14 4 1.21574E+04 -5.83114E-02 -1.33267E-01 2.326E-02 2.793E+00 1.050E+06 14 5 2.46730E+04 -5.83114E-02 -9.52452E-02 7.570E-02 1.845E+01 8.294E+05 14 6 6.93042E+04 -5.83114E-02 -7.14602E-02 5.460E-01 3.737E+02 7.582E+05 14 7 3.35234E+05 -5.83114E-02 -5.55931E-02 -8.980E-01 2.973E+03 5.330E+04 14 8 6.58887E+04 -5.83114E-02 -4.44810E-02 -2.739E-02 1.782E+01 4.208E+04 15 1 1.46033E+03 -4.93584E-02 -6.73374E-01 2.381E-04 3.434E-03 7.446E+05 15 2 3.21545E+03 -4.93584E-02 -3.32761E-01 2.031E-05 6.451E-04 1.310E+04 15 3 6.05966E+03 -4.93584E-02 -1.99741E-01 3.324E-05 1.989E-03 6.038E+03 15 4 1.08602E+04 -4.93584E-02 -1.33267E-01 4.283E-04 4.594E-02 2.422E+04 15 5 1.98590E+04 -4.93584E-02 -9.52452E-02 2.403E-03 4.712E-01 4.063E+04 15 6 4.12304E+04 -4.93584E-02 -7.14602E-02 1.608E-02 6.548E+00 6.309E+04 15 7 1.46161E+05 -4.93584E-02 -5.55931E-02 5.000E-01 7.218E+02 1.561E+05 15 8 1.86835E+05 -4.93584E-02 -4.44810E-02 -3.190E-01 5.886E+02 6.095E+04 16 1 1.45349E+03 -4.64227E-02 -6.73374E-01 1.003E-03 1.439E-02 3.166E+06 16 2 3.18248E+03 -4.64227E-02 -3.32761E-01 2.472E-03 7.769E-02 1.628E+06 16 3 5.94363E+03 -4.64227E-02 -1.99741E-01 5.387E-03 3.162E-01 1.017E+06 16 4 1.04931E+04 -4.64227E-02 -1.33267E-01 1.175E-02 1.218E+00 7.120E+05 16 5 1.86649E+04 -4.64227E-02 -9.52452E-02 2.832E-02 5.221E+00 5.422E+05 16 6 3.63961E+04 -4.64227E-02 -7.14602E-02 8.913E-02 3.204E+01 4.488E+05 16 7 9.93705E+04 -4.64227E-02 -5.55931E-02 6.293E-01 6.176E+02 4.251E+05 16 8 4.69314E+05 -4.64227E-02 -4.44810E-02 -1.006E+00 4.661E+03 3.045E+04 1 2 1 1 1 0 :isi,li,ipi,isj,lj,ipj 9 8 72 : ni,nj,ntrs/i,j,wl(A),Ei(Ry),Ej(Ry),f,S,A(/s) 1 1 5.34722E+03 -8.43793E-01 -6.73374E-01 -8.582E-03 7.554E-01 3.337E+06 1 2 1.78319E+03 -8.43793E-01 -3.32761E-01 -5.190E-04 1.523E-02 1.814E+06 1 3 1.41490E+03 -8.43793E-01 -1.99741E-01 -2.190E-04 5.101E-03 1.216E+06 1 4 1.28252E+03 -8.43793E-01 -1.33267E-01 -1.178E-04 2.486E-03 7.960E+05 1 5 1.21738E+03 -8.43793E-01 -9.52452E-02 -7.122E-05 1.427E-03 5.342E+05 1 6 1.17989E+03 -8.43793E-01 -7.14602E-02 -4.646E-05 9.023E-04 3.710E+05 1 7 1.15614E+03 -8.43793E-01 -5.55931E-02 -3.202E-05 6.094E-04 2.663E+05 1 8 1.14006E+03 -8.43793E-01 -4.44810E-02 -2.298E-05 4.312E-04 1.965E+05 2 1 4.41253E+03 -4.66856E-01 -6.73374E-01 5.723E-01 2.494E+01 1.176E+08 2 2 6.79568E+03 -4.66856E-01 -3.32761E-01 -1.101E-01 1.231E+01 2.649E+07 2 3 3.41152E+03 -4.66856E-01 -1.99741E-01 -9.888E-03 5.553E-01 9.444E+06 2 4 2.73171E+03 -4.66856E-01 -1.33267E-01 -3.254E-03 1.463E-01 4.847E+06 2 5 2.45221E+03 -4.66856E-01 -9.52452E-02 -1.544E-03 6.232E-02 2.854E+06 2 6 2.30470E+03 -4.66856E-01 -7.14602E-02 -8.738E-04 3.315E-02 1.829E+06 2 7 2.21578E+03 -4.66856E-01 -5.55931E-02 -5.496E-04 2.005E-02 1.244E+06 2 8 2.15748E+03 -4.66856E-01 -4.44810E-02 -3.708E-04 1.317E-02 8.855E+05 3 1 2.21400E+03 -2.61781E-01 -6.73374E-01 8.423E-03 1.842E-01 6.877E+06 3 2 1.28384E+04 -2.61781E-01 -3.32761E-01 8.783E-01 1.114E+02 2.133E+07 3 3 1.46884E+04 -2.61781E-01 -1.99741E-01 -2.162E-01 5.227E+01 1.114E+07 3 4 7.09080E+03 -2.61781E-01 -1.33267E-01 -1.986E-02 2.319E+00 4.392E+06 3 5 5.47190E+03 -2.61781E-01 -9.52452E-02 -6.498E-03 5.853E-01 2.413E+06 3 6 4.78806E+03 -2.61781E-01 -7.14602E-02 -3.086E-03 2.432E-01 1.496E+06 3 7 4.41960E+03 -2.61781E-01 -5.55931E-02 -1.755E-03 1.276E-01 9.986E+05 3 8 4.19359E+03 -2.61781E-01 -4.44810E-02 -1.111E-03 7.666E-02 7.020E+05 4 1 1.79782E+03 -1.66500E-01 -6.73374E-01 1.002E-02 1.779E-01 1.241E+07 4 2 5.48094E+03 -1.66500E-01 -3.32761E-01 4.647E-05 2.515E-03 6.190E+03 4 3 2.74139E+04 -1.66500E-01 -1.99741E-01 1.124E+00 3.043E+02 5.985E+06 4 4 2.74205E+04 -1.66500E-01 -1.33267E-01 -3.254E-01 1.469E+02 4.811E+06 4 5 1.27889E+04 -1.66500E-01 -9.52452E-02 -3.032E-02 6.383E+00 2.061E+06 4 6 9.58827E+03 -1.66500E-01 -7.14602E-02 -9.928E-03 1.567E+00 1.200E+06 4 7 8.21650E+03 -1.66500E-01 -5.55931E-02 -4.724E-03 6.389E-01 7.779E+05 4 8 7.46824E+03 -1.66500E-01 -4.44810E-02 -2.698E-03 3.317E-01 5.377E+05 5 1 1.63202E+03 -1.15006E-01 -6.73374E-01 6.853E-03 1.105E-01 1.030E+07 5 2 4.18483E+03 -1.15006E-01 -3.32761E-01 2.280E-03 9.425E-02 5.211E+05 5 3 1.07543E+04 -1.15006E-01 -1.99741E-01 1.505E-03 1.599E-01 5.208E+04 5 4 4.99024E+04 -1.15006E-01 -1.33267E-01 1.353E+00 6.668E+02 2.174E+06 5 5 4.61149E+04 -1.15006E-01 -9.52452E-02 -4.354E-01 3.305E+02 2.276E+06 5 6 2.09266E+04 -1.15006E-01 -7.14602E-02 -4.078E-02 1.405E+01 1.035E+06 5 7 1.53379E+04 -1.15006E-01 -5.55931E-02 -1.335E-02 3.371E+00 6.309E+05 5 8 1.29212E+04 -1.15006E-01 -4.44810E-02 -6.366E-03 1.354E+00 4.239E+05 6 1 1.54651E+03 -8.41321E-02 -6.73374E-01 4.583E-03 7.001E-02 7.669E+06 6 2 3.66517E+03 -8.41321E-02 -3.32761E-01 2.223E-03 8.046E-02 6.621E+05 6 3 7.88233E+03 -8.41321E-02 -1.99741E-01 3.807E-04 2.963E-02 2.452E+04 6 4 1.85462E+04 -8.41321E-02 -1.33267E-01 5.053E-03 9.256E-01 5.879E+04 6 5 8.19994E+04 -8.41321E-02 -9.52452E-02 1.574E+00 1.275E+03 9.370E+05 6 6 7.19125E+04 -8.41321E-02 -7.14602E-02 -5.458E-01 6.461E+02 1.173E+06 6 7 3.19306E+04 -8.41321E-02 -5.55931E-02 -5.110E-02 2.686E+01 5.571E+05 6 8 2.29821E+04 -8.41321E-02 -4.44810E-02 -1.672E-02 6.325E+00 3.519E+05 7 1 1.49589E+03 -6.41934E-02 -6.73374E-01 3.154E-03 4.659E-02 5.640E+06 7 2 3.39306E+03 -6.41934E-02 -3.32761E-01 1.734E-03 5.811E-02 6.027E+05 7 3 6.72286E+03 -6.41934E-02 -1.99741E-01 7.653E-04 5.082E-02 6.777E+04 7 4 1.31927E+04 -6.41934E-02 -1.33267E-01 1.337E-07 1.742E-05 3.075E+00 7 5 2.93467E+04 -6.41934E-02 -9.52452E-02 9.300E-03 2.695E+00 4.321E+04 7 6 1.25401E+05 -6.41934E-02 -7.14602E-02 1.791E+00 2.218E+03 4.558E+05 7 7 1.05958E+05 -6.41934E-02 -5.55931E-02 -6.564E-01 1.145E+03 6.499E+05 7 8 4.62281E+04 -6.41934E-02 -4.44810E-02 -6.130E-02 4.665E+01 3.189E+05 8 1 1.46319E+03 -5.05807E-02 -6.73374E-01 2.247E-03 3.247E-02 4.200E+06 8 2 3.22938E+03 -5.05807E-02 -3.32761E-01 1.307E-03 4.170E-02 5.017E+05 8 3 6.10931E+03 -5.05807E-02 -1.99741E-01 7.443E-04 4.491E-02 7.981E+04 8 4 1.10208E+04 -5.05807E-02 -1.33267E-01 1.898E-04 2.066E-02 6.254E+03 8 5 2.04025E+04 -5.05807E-02 -9.52452E-02 2.476E-04 4.989E-02 2.380E+03 8 6 4.36441E+04 -5.05807E-02 -7.14602E-02 1.381E-02 5.954E+00 2.902E+04 8 7 1.81803E+05 -5.05807E-02 -5.55931E-02 2.005E+00 3.600E+03 2.428E+05 8 8 1.49395E+05 -5.05807E-02 -4.44810E-02 -7.670E-01 1.886E+03 3.820E+05 9 1 1.44075E+03 -4.08776E-02 -6.73374E-01 1.651E-03 2.350E-02 3.184E+06 9 2 3.12202E+03 -4.08776E-02 -3.32761E-01 9.907E-04 3.055E-02 4.067E+05 9 3 5.73617E+03 -4.08776E-02 -1.99741E-01 6.290E-04 3.563E-02 7.650E+04 9 4 9.86333E+03 -4.08776E-02 -1.33267E-01 2.856E-04 2.782E-02 1.175E+04 9 5 1.67612E+04 -4.08776E-02 -9.52452E-02 8.893E-06 1.472E-03 1.267E+02 9 6 2.97969E+04 -4.08776E-02 -7.14602E-02 8.013E-04 2.358E-01 3.612E+03 9 7 6.19257E+04 -4.08776E-02 -5.55931E-02 1.843E-02 1.127E+01 1.924E+04 9 8 2.52891E+05 -4.08776E-02 -4.44810E-02 2.217E+00 5.537E+03 1.387E+05 1 1 1 1 2 0 :isi,li,ipi,isj,lj,ipj 16 16 256 : ni,nj,ntrs/i,j,wl(A),Ei(Ry),Ej(Ry),f,S,A(/s) 1 1 7.45289E+02 -8.10067E-01 -2.03277E+00 1.935E-01 2.374E+00 3.873E+09 1 2 4.02968E+03 -8.10067E-01 -5.83928E-01 -5.663E-01 2.254E+01 1.396E+08 1 3 1.79909E+03 -8.10067E-01 -3.03552E-01 -6.150E-04 1.093E-02 7.604E+05 1 4 1.62612E+03 -8.10067E-01 -2.49674E-01 -1.176E-05 1.889E-04 1.780E+04 1 5 1.46100E+03 -8.10067E-01 -1.86339E-01 -1.720E-05 2.482E-04 3.225E+04 1 6 1.40148E+03 -8.10067E-01 -1.59848E-01 -1.490E-06 2.062E-05 3.036E+03 1 7 1.33218E+03 -8.10067E-01 -1.26024E-01 -4.080E-05 5.368E-04 9.200E+04 1 8 1.30362E+03 -8.10067E-01 -1.11040E-01 -9.240E-08 1.190E-06 2.176E+02 1 9 1.26714E+03 -8.10067E-01 -9.09144E-02 -7.477E-06 9.357E-05 1.863E+04 1 10 1.25097E+03 -8.10067E-01 -8.16180E-02 -4.407E-05 5.444E-04 1.127E+05 1 11 1.24195E+03 -8.10067E-01 -7.63284E-02 -9.853E-03 1.209E-01 2.556E+07 1 12 1.22899E+03 -8.10067E-01 -6.85882E-02 -1.993E-04 2.419E-03 5.281E+05 1 13 1.21892E+03 -8.10067E-01 -6.24670E-02 -7.497E-06 9.025E-05 2.019E+04 1 14 1.20471E+03 -8.10067E-01 -5.36466E-02 -6.083E-05 7.238E-04 1.677E+05 1 15 1.19793E+03 -8.10067E-01 -4.93636E-02 -1.662E-06 1.966E-05 4.634E+03 1 16 1.18813E+03 -8.10067E-01 -4.30925E-02 -3.713E-05 4.357E-04 1.053E+05 2 1 6.47680E+02 -6.25798E-01 -2.03277E+00 1.466E-01 1.563E+00 3.885E+09 2 2 2.17642E+04 -6.25798E-01 -5.83928E-01 -1.831E-02 3.936E+00 1.547E+05 2 3 2.82786E+03 -6.25798E-01 -3.03552E-01 -1.274E-02 3.559E-01 6.377E+06 2 4 2.42278E+03 -6.25798E-01 -2.49674E-01 -1.279E-02 3.061E-01 8.722E+06 2 5 2.07361E+03 -6.25798E-01 -1.86339E-01 -3.450E-03 7.066E-02 3.211E+06 2 6 1.95572E+03 -6.25798E-01 -1.59848E-01 -5.000E-03 9.658E-02 5.231E+06 2 7 1.82336E+03 -6.25798E-01 -1.26024E-01 -1.484E-03 2.672E-02 1.786E+06 2 8 1.77028E+03 -6.25798E-01 -1.11040E-01 -2.620E-03 4.581E-02 3.346E+06 2 9 1.70367E+03 -6.25798E-01 -9.09144E-02 -1.046E-03 1.760E-02 1.442E+06 2 10 1.67457E+03 -6.25798E-01 -8.16180E-02 -2.321E-03 3.839E-02 3.313E+06 2 11 1.65845E+03 -6.25798E-01 -7.63284E-02 -2.241E-02 3.671E-01 3.261E+07 2 12 1.63541E+03 -6.25798E-01 -6.85882E-02 -4.763E-05 7.694E-04 7.127E+04 2 13 1.61764E+03 -6.25798E-01 -6.24670E-02 -6.853E-04 1.095E-02 1.048E+06 2 14 1.59270E+03 -6.25798E-01 -5.36466E-02 -1.229E-04 1.933E-03 1.938E+05 2 15 1.58087E+03 -6.25798E-01 -4.93636E-02 -5.240E-04 8.181E-03 8.391E+05 2 16 1.56386E+03 -6.25798E-01 -4.30925E-02 -9.373E-05 1.448E-03 1.534E+05 3 1 5.71763E+02 -4.38985E-01 -2.03277E+00 2.840E-04 2.673E-03 9.657E+06 3 2 6.28707E+03 -4.38985E-01 -5.83928E-01 2.762E-02 2.858E+00 7.768E+06 3 3 6.72855E+03 -4.38985E-01 -3.03552E-01 -5.930E-02 3.941E+00 5.242E+06 3 4 4.81360E+03 -4.38985E-01 -2.49674E-01 -9.703E-01 4.613E+01 1.676E+08 3 5 3.60689E+03 -4.38985E-01 -1.86339E-01 -3.397E-03 1.210E-01 1.045E+06 3 6 3.26459E+03 -4.38985E-01 -1.59848E-01 -1.398E-01 4.506E+00 5.248E+07 3 7 2.91176E+03 -4.38985E-01 -1.26024E-01 -8.633E-04 2.483E-02 4.075E+05 3 8 2.77872E+03 -4.38985E-01 -1.11040E-01 -4.643E-02 1.274E+00 2.407E+07 3 9 2.61805E+03 -4.38985E-01 -9.09144E-02 -3.550E-04 9.179E-03 2.073E+05 3 10 2.54995E+03 -4.38985E-01 -8.16180E-02 -2.133E-02 5.373E-01 1.313E+07 3 11 2.51275E+03 -4.38985E-01 -7.63284E-02 -2.574E-04 6.387E-03 1.631E+05 3 12 2.46025E+03 -4.38985E-01 -6.85882E-02 -1.677E-04 4.074E-03 1.109E+05 3 13 2.42025E+03 -4.38985E-01 -6.24670E-02 -1.200E-02 2.869E-01 8.201E+06 3 14 2.36485E+03 -4.38985E-01 -5.36466E-02 -1.017E-04 2.375E-03 7.275E+04 3 15 2.33885E+03 -4.38985E-01 -4.93636E-02 -7.437E-03 1.718E-01 5.441E+06 3 16 2.30180E+03 -4.38985E-01 -4.30925E-02 -6.540E-05 1.487E-03 4.940E+04 4 1 5.48432E+02 -3.71184E-01 -2.03277E+00 5.598E-03 5.054E-02 2.069E+08 4 2 4.28340E+03 -3.71184E-01 -5.83928E-01 1.641E-01 1.157E+01 9.943E+07 4 3 1.34739E+04 -3.71184E-01 -3.03552E-01 -7.703E-01 1.025E+02 1.698E+07 4 4 7.49952E+03 -3.71184E-01 -2.49674E-01 -3.800E-02 2.815E+00 2.704E+06 4 5 4.92990E+03 -3.71184E-01 -1.86339E-01 -4.483E-05 2.183E-03 7.382E+03 4 6 4.31194E+03 -3.71184E-01 -1.59848E-01 -1.415E-03 6.025E-02 3.045E+05 4 7 3.71703E+03 -3.71184E-01 -1.26024E-01 -4.103E-04 1.506E-02 1.189E+05 4 8 3.50293E+03 -3.71184E-01 -1.11040E-01 -2.208E-04 7.640E-03 7.202E+04 4 9 3.25139E+03 -3.71184E-01 -9.09144E-02 -4.703E-04 1.510E-02 1.780E+05 4 10 3.14701E+03 -3.71184E-01 -8.16180E-02 -4.220E-05 1.312E-03 1.705E+04 4 11 3.09055E+03 -3.71184E-01 -7.63284E-02 -4.907E-04 1.498E-02 2.056E+05 4 12 3.01150E+03 -3.71184E-01 -6.85882E-02 -2.823E-04 8.397E-03 1.246E+05 4 13 2.95179E+03 -3.71184E-01 -6.24670E-02 -2.892E-05 8.430E-04 1.328E+04 4 14 2.86979E+03 -3.71184E-01 -5.36466E-02 -2.434E-04 6.900E-03 1.183E+05 4 15 2.83160E+03 -3.71184E-01 -4.93636E-02 -1.239E-05 3.466E-04 6.186E+03 4 16 2.77748E+03 -3.71184E-01 -4.30925E-02 -1.883E-04 5.166E-03 9.770E+04 5 1 5.10856E+02 -2.48967E-01 -2.03277E+00 3.504E-05 2.947E-04 1.493E+06 5 2 2.72052E+03 -2.48967E-01 -5.83928E-01 1.169E-05 5.234E-04 1.756E+04 5 3 1.66945E+04 -2.48967E-01 -3.03552E-01 3.978E-02 1.093E+01 1.587E+06 5 4 1.28892E+06 -2.48967E-01 -2.49674E-01 5.092E-03 1.080E+02 3.407E+01 5 5 1.45505E+04 -2.48967E-01 -1.86339E-01 -6.853E-02 9.849E+00 1.295E+06 5 6 1.02253E+04 -2.48967E-01 -1.59848E-01 -8.753E-01 8.840E+01 3.350E+07 5 7 7.41211E+03 -2.48967E-01 -1.26024E-01 -5.313E-03 3.890E-01 3.870E+05 5 8 6.60688E+03 -2.48967E-01 -1.11040E-01 -1.797E-01 1.173E+01 1.647E+07 5 9 5.76559E+03 -2.48967E-01 -9.09144E-02 -1.512E-03 8.612E-02 1.821E+05 5 10 5.44531E+03 -2.48967E-01 -8.16180E-02 -6.880E-02 3.700E+00 9.286E+06 5 11 5.27847E+03 -2.48967E-01 -7.63284E-02 -2.613E-04 1.362E-02 3.753E+04 5 12 5.05196E+03 -2.48967E-01 -6.85882E-02 -6.837E-04 3.411E-02 1.072E+05 5 13 4.88615E+03 -2.48967E-01 -6.24670E-02 -3.477E-02 1.678E+00 5.828E+06 5 14 4.66550E+03 -2.48967E-01 -5.36466E-02 -3.637E-04 1.676E-02 6.686E+04 5 15 4.56539E+03 -2.48967E-01 -4.93636E-02 -2.034E-02 9.173E-01 3.906E+06 5 16 4.42632E+03 -2.48967E-01 -4.30925E-02 -2.207E-04 9.648E-03 4.508E+04 6 1 5.02211E+02 -2.18260E-01 -2.03277E+00 3.316E-03 2.741E-02 1.462E+08 6 2 2.49206E+03 -2.18260E-01 -5.83928E-01 2.212E-02 9.074E-01 3.959E+07 6 3 1.06841E+04 -2.18260E-01 -3.03552E-01 2.746E-01 4.829E+01 2.674E+07 6 4 2.90083E+04 -2.18260E-01 -2.49674E-01 5.170E-03 2.469E+00 6.830E+04 6 5 2.85476E+04 -2.18260E-01 -1.86339E-01 -1.006E+00 2.837E+02 4.942E+06 6 6 1.56007E+04 -2.18260E-01 -1.59848E-01 -3.653E-02 5.629E+00 6.007E+05 6 7 9.87973E+03 -2.18260E-01 -1.26024E-01 -1.118E-03 1.091E-01 4.582E+04 6 8 8.49904E+03 -2.18260E-01 -1.11040E-01 -2.708E-03 2.273E-01 1.500E+05 6 9 7.15586E+03 -2.18260E-01 -9.09144E-02 -5.943E-05 4.200E-03 4.645E+03 6 10 6.66901E+03 -2.18260E-01 -8.16180E-02 -6.053E-04 3.987E-02 5.447E+04 6 11 6.42047E+03 -2.18260E-01 -7.63284E-02 -5.583E-04 3.540E-02 5.420E+04 6 12 6.08844E+03 -2.18260E-01 -6.85882E-02 -1.199E-04 7.210E-03 1.294E+04 6 13 5.84922E+03 -2.18260E-01 -6.24670E-02 -2.855E-04 1.649E-02 3.340E+04 6 14 5.53580E+03 -2.18260E-01 -5.36466E-02 -1.558E-04 8.518E-03 2.035E+04 6 15 5.39542E+03 -2.18260E-01 -4.93636E-02 -1.382E-04 7.363E-03 1.899E+04 6 16 5.20226E+03 -2.18260E-01 -4.30925E-02 -1.392E-04 7.152E-03 2.058E+04 7 1 4.86501E+02 -1.59666E-01 -2.03277E+00 4.246E-05 3.400E-04 1.994E+06 7 2 2.14789E+03 -1.59666E-01 -5.83928E-01 5.520E-05 1.952E-03 1.330E+05 7 3 6.33326E+03 -1.59666E-01 -3.03552E-01 4.744E-05 4.946E-03 1.315E+04 7 4 1.01243E+04 -1.59666E-01 -2.49674E-01 6.484E-03 1.081E+00 7.032E+05 7 5 3.41644E+04 -1.59666E-01 -1.86339E-01 5.220E-02 2.936E+01 4.971E+05 7 6 5.00689E+06 -1.59666E-01 -1.59848E-01 4.732E-03 3.900E+02 2.098E+00 7 7 2.70872E+04 -1.59666E-01 -1.26024E-01 -8.383E-02 2.243E+01 4.573E+05 7 8 1.87403E+04 -1.59666E-01 -1.11040E-01 -8.310E-01 1.538E+02 9.469E+06 7 9 1.32545E+04 -1.59666E-01 -9.09144E-02 -7.153E-03 9.364E-01 1.629E+05 7 10 1.16757E+04 -1.59666E-01 -8.16180E-02 -1.916E-01 2.209E+01 5.624E+06 7 11 1.09346E+04 -1.59666E-01 -7.63284E-02 -4.300E-04 4.644E-02 1.439E+04 7 12 1.00054E+04 -1.59666E-01 -6.85882E-02 -2.274E-03 2.247E-01 9.092E+04 7 13 9.37527E+03 -1.59666E-01 -6.24670E-02 -7.833E-02 7.253E+00 3.567E+06 7 14 8.59529E+03 -1.59666E-01 -5.36466E-02 -1.006E-03 8.543E-02 5.451E+04 7 15 8.26153E+03 -1.59666E-01 -4.93636E-02 -4.103E-02 3.348E+00 2.406E+06 7 16 7.81710E+03 -1.59666E-01 -4.30925E-02 -5.510E-04 4.254E-02 3.608E+04 8 1 4.82313E+02 -1.43403E-01 -2.03277E+00 1.806E-03 1.434E-02 8.630E+07 8 2 2.06859E+03 -1.43403E-01 -5.83928E-01 7.850E-03 2.673E-01 2.039E+07 8 3 5.69012E+03 -1.43403E-01 -3.03552E-01 3.322E-02 3.111E+00 1.141E+07 8 4 8.57494E+03 -1.43403E-01 -2.49674E-01 5.666E-05 7.997E-03 8.566E+03 8 5 2.12238E+04 -1.43403E-01 -1.86339E-01 3.820E-01 1.335E+02 9.427E+06 8 6 5.54130E+04 -1.43403E-01 -1.59848E-01 8.768E-03 7.998E+00 3.174E+04 8 7 5.24350E+04 -1.43403E-01 -1.26024E-01 -1.222E+00 6.330E+02 1.779E+06 8 8 2.81577E+04 -1.43403E-01 -1.11040E-01 -3.847E-02 1.070E+01 1.942E+05 8 9 1.73612E+04 -1.43403E-01 -9.09144E-02 -2.461E-03 4.220E-01 3.268E+04 8 10 1.47490E+04 -1.43403E-01 -8.16180E-02 -3.285E-03 4.785E-01 6.043E+04 8 11 1.35859E+04 -1.43403E-01 -7.63284E-02 -1.368E-03 1.836E-01 2.966E+04 8 12 1.21803E+04 -1.43403E-01 -6.85882E-02 -1.959E-05 2.356E-03 5.283E+02 8 13 1.12591E+04 -1.43403E-01 -6.24670E-02 -1.077E-03 1.198E-01 3.400E+04 8 14 1.01527E+04 -1.43403E-01 -5.36466E-02 -4.167E-05 4.178E-03 1.618E+03 8 15 9.69027E+03 -1.43403E-01 -4.93636E-02 -4.517E-04 4.323E-02 1.925E+04 8 16 9.08446E+03 -1.43403E-01 -4.30925E-02 -7.653E-05 6.867E-03 3.711E+03 9 1 4.74174E+02 -1.10970E-01 -2.03277E+00 3.146E-05 2.456E-04 1.555E+06 9 2 1.92674E+03 -1.10970E-01 -5.83928E-01 4.430E-05 1.405E-03 1.327E+05 9 3 4.73184E+03 -1.10970E-01 -3.03552E-01 3.040E-06 2.368E-04 1.509E+03 9 4 6.56987E+03 -1.10970E-01 -2.49674E-01 1.167E-03 1.262E-01 3.006E+05 9 5 1.20907E+04 -1.10970E-01 -1.86339E-01 1.944E-04 3.869E-02 1.478E+04 9 6 1.86437E+04 -1.10970E-01 -1.59848E-01 1.782E-02 5.469E+00 5.699E+05 9 7 6.05332E+04 -1.10970E-01 -1.26024E-01 6.426E-02 6.403E+01 1.949E+05 9 8 1.30170E+07 -1.10970E-01 -1.11040E-01 4.450E-03 9.535E+02 2.919E-01 9 9 4.54370E+04 -1.10970E-01 -9.09144E-02 -9.850E-02 4.420E+01 1.909E+05 9 10 3.10462E+04 -1.10970E-01 -8.16180E-02 -8.197E-01 2.513E+02 3.403E+06 9 11 2.63056E+04 -1.10970E-01 -7.63284E-02 -8.023E-04 2.084E-01 4.640E+03 9 12 2.15014E+04 -1.10970E-01 -6.85882E-02 -9.500E-03 2.017E+00 8.224E+04 9 13 1.87879E+04 -1.10970E-01 -6.24670E-02 -1.986E-01 3.685E+01 2.251E+06 9 14 1.58969E+04 -1.10970E-01 -5.36466E-02 -2.884E-03 4.527E-01 4.567E+04 9 15 1.47918E+04 -1.10970E-01 -4.93636E-02 -8.397E-02 1.227E+01 1.536E+06 9 16 1.34252E+04 -1.10970E-01 -4.30925E-02 -1.315E-03 1.744E-01 2.921E+04 10 1 4.71816E+02 -1.01365E-01 -2.03277E+00 1.073E-03 8.333E-03 5.358E+07 10 2 1.88839E+03 -1.01365E-01 -5.83928E-01 3.832E-03 1.191E-01 1.195E+07 10 3 4.50705E+03 -1.01365E-01 -3.03552E-01 1.159E-02 8.600E-01 6.344E+06 10 4 6.14438E+03 -1.01365E-01 -2.49674E-01 1.382E-05 1.398E-03 4.070E+03 10 5 1.07241E+04 -1.01365E-01 -1.86339E-01 4.460E-02 7.873E+00 4.311E+06 10 6 1.55817E+04 -1.01365E-01 -1.59848E-01 8.712E-05 2.234E-02 3.989E+03 10 7 3.69548E+04 -1.01365E-01 -1.26024E-01 4.882E-01 2.970E+02 3.974E+06 10 8 9.41878E+04 -1.01365E-01 -1.11040E-01 1.194E-02 1.851E+01 1.496E+04 10 9 8.71976E+04 -1.01365E-01 -9.09144E-02 -1.430E+00 1.232E+03 7.527E+05 10 10 4.61471E+04 -1.01365E-01 -8.16180E-02 -3.863E-02 1.761E+01 7.260E+04 10 11 3.63974E+04 -1.01365E-01 -7.63284E-02 -6.390E-03 2.297E+00 1.930E+04 10 12 2.78022E+04 -1.01365E-01 -6.85882E-02 -4.797E-03 1.317E+00 2.483E+04 10 13 2.34271E+04 -1.01365E-01 -6.24670E-02 -4.483E-03 1.037E+00 3.269E+04 10 14 1.90968E+04 -1.01365E-01 -5.36466E-02 -9.890E-05 1.865E-02 1.085E+03 10 15 1.75239E+04 -1.01365E-01 -4.93636E-02 -1.344E-03 2.326E-01 1.751E+04 10 16 1.56380E+04 -1.01365E-01 -4.30925E-02 -4.893E-06 7.558E-04 8.008E+01 11 1 4.67027E+02 -8.15618E-02 -2.03277E+00 2.212E-05 1.700E-04 1.127E+06 11 2 1.81395E+03 -8.15618E-02 -5.83928E-01 3.152E-05 9.411E-04 1.065E+05 11 3 4.10499E+03 -8.15618E-02 -3.03552E-01 8.436E-06 5.700E-04 5.565E+03 11 4 5.42059E+03 -8.15618E-02 -2.49674E-01 4.178E-04 3.728E-02 1.581E+05 11 5 8.69719E+03 -8.15618E-02 -1.86339E-01 4.680E-06 6.700E-04 6.878E+02 11 6 1.16402E+04 -8.15618E-02 -1.59848E-01 3.404E-03 6.522E-01 2.793E+05 11 7 2.04953E+04 -8.15618E-02 -1.26024E-01 3.714E-04 1.253E-01 9.829E+03 11 8 3.09132E+04 -8.15618E-02 -1.11040E-01 3.222E-02 1.640E+01 3.748E+05 11 9 9.74346E+04 -8.15618E-02 -9.09144E-02 7.540E-02 1.209E+02 8.829E+04 11 10 1.62126E+07 -8.15618E-02 -8.16180E-02 7.148E-03 1.908E+03 3.023E-01 11 11 1.74125E+05 -8.15618E-02 -7.63284E-02 -3.503E-03 6.025E+00 4.624E+02 11 12 7.02401E+04 -8.15618E-02 -6.85882E-02 -1.211E-01 8.399E+01 9.820E+04 11 13 4.77233E+04 -8.15618E-02 -6.24670E-02 -8.193E-01 3.862E+02 1.440E+06 11 14 3.26441E+04 -8.15618E-02 -5.36466E-02 -1.115E-02 3.594E+00 4.186E+04 11 15 2.83018E+04 -8.15618E-02 -4.93636E-02 -2.052E-01 5.736E+01 1.025E+06 11 16 2.36882E+04 -8.15618E-02 -4.30925E-02 -3.490E-03 8.165E-01 2.489E+04 12 1 4.65564E+02 -7.54297E-02 -2.03277E+00 6.866E-04 5.262E-03 3.521E+07 12 2 1.79208E+03 -7.54297E-02 -5.83928E-01 2.198E-03 6.484E-02 7.608E+06 12 3 3.99464E+03 -7.54297E-02 -3.03552E-01 5.662E-03 3.723E-01 3.944E+06 12 4 5.22982E+03 -7.54297E-02 -2.49674E-01 5.894E-06 5.074E-04 2.396E+03 12 5 8.21633E+03 -7.54297E-02 -1.86339E-01 1.543E-02 2.087E+00 2.540E+06 12 6 1.07947E+04 -7.54297E-02 -1.59848E-01 2.144E-05 3.810E-03 2.045E+03 12 7 1.80113E+04 -7.54297E-02 -1.26024E-01 5.596E-02 1.659E+01 1.918E+06 12 8 2.55900E+04 -7.54297E-02 -1.11040E-01 1.044E-04 4.399E-02 1.773E+03 12 9 5.88495E+04 -7.54297E-02 -9.09144E-02 5.916E-01 5.731E+02 1.899E+06 12 10 1.47256E+05 -7.54297E-02 -8.16180E-02 1.377E-02 3.337E+01 7.057E+03 12 11 1.01399E+06 -7.54297E-02 -7.63284E-02 1.744E-03 2.911E+01 1.885E+01 12 12 1.33197E+05 -7.54297E-02 -6.85882E-02 -1.639E+00 2.156E+03 3.696E+05 12 13 7.02992E+04 -7.54297E-02 -6.24670E-02 -4.650E-02 3.228E+01 3.765E+04 12 14 4.18337E+04 -7.54297E-02 -5.36466E-02 -6.207E-03 2.564E+00 1.419E+04 12 15 3.49599E+04 -7.54297E-02 -4.93636E-02 -5.053E-03 1.745E+00 1.655E+04 12 16 2.81801E+04 -7.54297E-02 -4.30925E-02 -2.412E-04 6.714E-02 1.216E+03 13 1 4.62499E+02 -6.24602E-02 -2.03277E+00 1.575E-05 1.199E-04 8.184E+05 13 2 1.74750E+03 -6.24602E-02 -5.83928E-01 2.244E-05 6.455E-04 8.169E+04 13 3 3.77975E+03 -6.24602E-02 -3.03552E-01 8.392E-06 5.221E-04 6.530E+03 13 4 4.86752E+03 -6.24602E-02 -2.49674E-01 2.016E-04 1.615E-02 9.459E+04 13 5 7.35612E+03 -6.24602E-02 -1.86339E-01 1.005E-07 1.216E-05 2.064E+01 13 6 9.35710E+03 -6.24602E-02 -1.59848E-01 1.253E-03 1.930E-01 1.591E+05 13 7 1.43363E+04 -6.24602E-02 -1.26024E-01 2.608E-05 6.154E-03 1.411E+03 13 8 1.87581E+04 -6.24602E-02 -1.11040E-01 6.404E-03 1.977E+00 2.023E+05 13 9 3.20258E+04 -6.24602E-02 -9.09144E-02 5.558E-04 2.930E-01 6.024E+03 13 10 4.75664E+04 -6.24602E-02 -8.16180E-02 4.828E-02 3.780E+01 2.372E+05 13 11 6.57091E+04 -6.24602E-02 -7.63284E-02 3.890E-04 4.207E-01 1.002E+03 13 12 1.48706E+05 -6.24602E-02 -6.85882E-02 9.024E-02 2.209E+02 4.536E+04 13 13 1.33963E+08 -6.24602E-02 -6.24670E-02 1.557E-03 3.434E+03 9.646E-04 13 14 1.03393E+05 -6.24602E-02 -5.36466E-02 -1.356E-01 1.385E+02 5.076E+04 13 15 6.95804E+04 -6.24602E-02 -4.93636E-02 -8.360E-01 5.745E+02 6.910E+05 13 16 4.70509E+04 -6.24602E-02 -4.30925E-02 -1.289E-02 5.988E+00 2.330E+04 14 1 4.61528E+02 -5.83114E-02 -2.03277E+00 4.652E-04 3.534E-03 2.428E+07 14 2 1.73371E+03 -5.83114E-02 -5.83928E-01 1.392E-03 3.974E-02 5.150E+06 14 3 3.71581E+03 -5.83114E-02 -3.03552E-01 3.270E-03 2.000E-01 2.633E+06 14 4 4.76199E+03 -5.83114E-02 -2.49674E-01 3.174E-06 2.488E-04 1.556E+03 14 5 7.11774E+03 -5.83114E-02 -1.86339E-01 7.534E-03 8.827E-01 1.653E+06 14 6 8.97476E+03 -5.83114E-02 -1.59848E-01 9.290E-06 1.372E-03 1.282E+03 14 7 1.34579E+04 -5.83114E-02 -1.26024E-01 1.925E-02 4.265E+00 1.182E+06 14 8 1.72822E+04 -5.83114E-02 -1.11040E-01 2.530E-05 7.197E-03 9.416E+02 14 9 2.79504E+04 -5.83114E-02 -9.09144E-02 6.718E-02 3.091E+01 9.559E+05 14 10 3.90991E+04 -5.83114E-02 -8.16180E-02 1.114E-04 7.170E-02 8.101E+02 14 11 5.05782E+04 -5.83114E-02 -7.63284E-02 8.754E-04 7.288E-01 3.804E+03 14 12 8.86723E+04 -5.83114E-02 -6.85882E-02 6.996E-01 1.021E+03 9.891E+05 14 13 2.19286E+05 -5.83114E-02 -6.24670E-02 1.899E-02 6.855E+01 4.390E+03 14 14 1.95350E+05 -5.83114E-02 -5.36466E-02 -1.854E+00 3.577E+03 1.944E+05 14 15 1.01843E+05 -5.83114E-02 -4.93636E-02 -4.943E-02 4.972E+01 1.907E+04 14 16 5.98773E+04 -5.83114E-02 -4.30925E-02 -7.890E-03 4.666E+00 8.807E+03 15 1 4.59444E+02 -4.93584E-02 -2.03277E+00 1.148E-05 8.680E-05 6.045E+05 15 2 1.70467E+03 -4.93584E-02 -5.83928E-01 1.633E-05 4.581E-04 6.245E+04 15 3 3.58493E+03 -4.93584E-02 -3.03552E-01 7.034E-06 4.151E-04 6.084E+03 15 4 4.54916E+03 -4.93584E-02 -2.49674E-01 1.147E-04 8.590E-03 6.162E+04 15 5 6.65253E+03 -4.93584E-02 -1.86339E-01 1.041E-06 1.140E-04 2.614E+02 15 6 8.24754E+03 -4.93584E-02 -1.59848E-01 6.142E-04 8.338E-02 1.004E+05 15 7 1.18863E+04 -4.93584E-02 -1.26024E-01 2.744E-06 5.369E-04 2.159E+02 15 8 1.47737E+04 -4.93584E-02 -1.11040E-01 2.406E-03 5.851E-01 1.225E+05 15 9 2.19287E+04 -4.93584E-02 -9.09144E-02 5.580E-05 2.014E-02 1.290E+03 15 10 2.82479E+04 -4.93584E-02 -8.16180E-02 9.884E-03 4.596E+00 1.377E+05 15 11 3.37882E+04 -4.93584E-02 -7.63284E-02 5.360E-05 2.981E-02 5.219E+02 15 12 4.73883E+04 -4.93584E-02 -6.85882E-02 7.256E-04 5.660E-01 3.592E+03 15 13 6.95167E+04 -4.93584E-02 -6.24670E-02 6.700E-02 7.667E+01 1.541E+05 15 14 2.12506E+05 -4.93584E-02 -5.36466E-02 1.012E-01 3.540E+02 2.491E+04 15 15 1.75352E+08 -4.93584E-02 -4.93636E-02 1.968E-03 5.682E+03 7.116E-04 15 16 1.45433E+05 -4.93584E-02 -4.30925E-02 -1.519E-01 2.182E+02 2.874E+04 16 1 4.58765E+02 -4.64227E-02 -2.03277E+00 3.294E-04 2.487E-03 1.740E+07 16 2 1.69536E+03 -4.64227E-02 -5.83928E-01 9.430E-04 2.632E-02 3.647E+06 16 3 3.54400E+03 -4.64227E-02 -3.03552E-01 2.088E-03 1.218E-01 1.848E+06 16 4 4.48345E+03 -4.64227E-02 -2.49674E-01 1.944E-06 1.434E-04 1.075E+03 16 5 6.51294E+03 -4.64227E-02 -1.86339E-01 4.364E-03 4.679E-01 1.144E+06 16 6 8.03407E+03 -4.64227E-02 -1.59848E-01 5.076E-06 6.713E-04 8.742E+02 16 7 1.14479E+04 -4.64227E-02 -1.26024E-01 9.396E-03 1.771E+00 7.970E+05 16 8 1.41025E+04 -4.64227E-02 -1.11040E-01 1.103E-05 2.560E-03 6.163E+02 16 9 2.04817E+04 -4.64227E-02 -9.09144E-02 2.302E-02 7.761E+00 6.100E+05 16 10 2.58917E+04 -4.64227E-02 -8.16180E-02 2.658E-05 1.133E-02 4.408E+02 16 11 3.04714E+04 -4.64227E-02 -7.63284E-02 2.202E-04 1.104E-01 2.636E+03 16 12 4.11120E+04 -4.64227E-02 -6.85882E-02 7.782E-02 5.266E+01 5.118E+05 16 13 5.67969E+04 -4.64227E-02 -6.24670E-02 1.223E-04 1.143E-01 4.214E+02 16 14 1.26146E+05 -4.64227E-02 -5.36466E-02 8.064E-01 1.674E+03 5.633E+05 16 15 3.09860E+05 -4.64227E-02 -4.93636E-02 2.174E-02 1.109E+02 2.517E+03 16 16 2.73637E+05 -4.64227E-02 -4.30925E-02 -2.062E+00 5.574E+03 1.102E+05 1 2 1 1 2 0 :isi,li,ipi,isj,lj,ipj 9 16 144 : ni,nj,ntrs/i,j,wl(A),Ei(Ry),Ej(Ry),f,S,A(/s) 1 1 7.66430E+02 -8.43793E-01 -2.03277E+00 2.736E-01 3.452E+00 3.107E+09 1 2 3.50669E+03 -8.43793E-01 -5.83928E-01 -4.582E-03 2.645E-01 2.485E+06 1 3 1.68678E+03 -8.43793E-01 -3.03552E-01 -1.318E-03 3.661E-02 3.091E+06 1 4 1.53381E+03 -8.43793E-01 -2.49674E-01 -1.081E-03 2.728E-02 3.064E+06 1 5 1.38605E+03 -8.43793E-01 -1.86339E-01 -8.728E-04 1.991E-02 3.030E+06 1 6 1.33237E+03 -8.43793E-01 -1.59848E-01 -4.826E-04 1.058E-02 1.813E+06 1 7 1.26958E+03 -8.43793E-01 -1.26024E-01 -8.006E-04 1.673E-02 3.313E+06 1 8 1.24362E+03 -8.43793E-01 -1.11040E-01 -1.581E-04 3.236E-03 6.816E+05 1 9 1.21038E+03 -8.43793E-01 -9.09144E-02 -1.610E-03 3.207E-02 7.328E+06 1 10 1.19561E+03 -8.43793E-01 -8.16180E-02 -4.192E-04 8.250E-03 1.956E+06 1 11 1.18737E+03 -8.43793E-01 -7.63284E-02 -2.408E-01 4.706E+00 1.139E+09 1 12 1.17552E+03 -8.43793E-01 -6.85882E-02 -5.564E-04 1.077E-02 2.686E+06 1 13 1.16631E+03 -8.43793E-01 -6.24670E-02 -5.670E-04 1.089E-02 2.780E+06 1 14 1.15329E+03 -8.43793E-01 -5.36466E-02 -9.002E-07 1.709E-05 4.514E+03 1 15 1.14707E+03 -8.43793E-01 -4.93636E-02 -2.348E-04 4.433E-03 1.190E+06 1 16 1.13809E+03 -8.43793E-01 -4.30925E-02 -1.500E-05 2.810E-04 7.725E+04 2 1 5.81939E+02 -4.66856E-01 -2.03277E+00 1.476E-01 1.413E+00 2.906E+09 2 2 7.78382E+03 -4.66856E-01 -5.83928E-01 8.080E-02 1.035E+01 8.895E+06 2 3 5.58019E+03 -4.66856E-01 -3.03552E-01 -1.989E-02 1.827E+00 4.260E+06 2 4 4.19587E+03 -4.66856E-01 -2.49674E-01 -9.700E-02 6.699E+00 3.675E+07 2 5 3.24853E+03 -4.66856E-01 -1.86339E-01 -3.126E-03 1.672E-01 1.976E+06 2 6 2.96822E+03 -4.66856E-01 -1.59848E-01 -1.824E-02 8.911E-01 1.381E+07 2 7 2.67365E+03 -4.66856E-01 -1.26024E-01 -1.212E-03 5.333E-02 1.131E+06 2 8 2.56106E+03 -4.66856E-01 -1.11040E-01 -6.788E-03 2.862E-01 6.903E+06 2 9 2.42396E+03 -4.66856E-01 -9.09144E-02 -6.792E-04 2.710E-02 7.710E+05 2 10 2.36547E+03 -4.66856E-01 -8.16180E-02 -3.548E-03 1.381E-01 4.229E+06 2 11 2.33343E+03 -4.66856E-01 -7.63284E-02 -8.314E-04 3.193E-02 1.018E+06 2 12 2.28808E+03 -4.66856E-01 -6.85882E-02 -2.668E-04 1.005E-02 3.399E+05 2 13 2.25344E+03 -4.66856E-01 -6.24670E-02 -1.836E-03 6.810E-02 2.411E+06 2 14 2.20534E+03 -4.66856E-01 -5.36466E-02 -2.108E-04 7.652E-03 2.891E+05 2 15 2.18272E+03 -4.66856E-01 -4.93636E-02 -1.183E-03 4.249E-02 1.656E+06 2 16 2.15041E+03 -4.66856E-01 -4.30925E-02 -1.505E-04 5.326E-03 2.170E+05 3 1 5.14553E+02 -2.61781E-01 -2.03277E+00 4.902E-02 4.152E-01 1.235E+09 3 2 2.82873E+03 -2.61781E-01 -5.83928E-01 1.883E-02 8.768E-01 1.570E+07 3 3 2.18158E+04 -2.61781E-01 -3.03552E-01 1.220E-01 4.380E+01 1.709E+06 3 4 7.52678E+04 -2.61781E-01 -2.49674E-01 -1.987E-02 2.462E+01 2.340E+04 3 5 1.20790E+04 -2.61781E-01 -1.86339E-01 -3.898E-02 7.750E+00 1.782E+06 3 6 8.93986E+03 -2.61781E-01 -1.59848E-01 -7.186E-02 1.057E+01 5.997E+06 3 7 6.71249E+03 -2.61781E-01 -1.26024E-01 -5.662E-03 6.256E-01 8.381E+05 3 8 6.04525E+03 -2.61781E-01 -1.11040E-01 -1.908E-02 1.899E+00 3.483E+06 3 9 5.33321E+03 -2.61781E-01 -9.09144E-02 -2.090E-03 1.835E-01 4.901E+05 3 10 5.05801E+03 -2.61781E-01 -8.16180E-02 -8.190E-03 6.819E-01 2.135E+06 3 11 4.91375E+03 -2.61781E-01 -7.63284E-02 -2.552E-05 2.064E-03 7.050E+03 3 12 4.71688E+03 -2.61781E-01 -6.85882E-02 -9.598E-04 7.452E-02 2.877E+05 3 13 4.57202E+03 -2.61781E-01 -6.24670E-02 -4.308E-03 3.242E-01 1.375E+06 3 14 4.37826E+03 -2.61781E-01 -5.36466E-02 -5.842E-04 4.210E-02 2.033E+05 3 15 4.28998E+03 -2.61781E-01 -4.93636E-02 -2.618E-03 1.849E-01 9.488E+05 3 16 4.16696E+03 -2.61781E-01 -4.30925E-02 -3.792E-04 2.601E-02 1.457E+05 4 1 4.88283E+02 -1.66500E-01 -2.03277E+00 2.252E-02 1.810E-01 6.300E+08 4 2 2.18305E+03 -1.66500E-01 -5.83928E-01 8.506E-03 3.057E-01 1.190E+07 4 3 6.64906E+03 -1.66500E-01 -3.03552E-01 1.196E-02 1.309E+00 1.805E+06 4 4 1.09562E+04 -1.66500E-01 -2.49674E-01 5.732E-03 1.034E+00 3.185E+05 4 5 4.59331E+04 -1.66500E-01 -1.86339E-01 1.575E-01 1.191E+02 4.980E+05 4 6 1.36992E+05 -1.66500E-01 -1.59848E-01 -3.794E-02 8.555E+01 1.348E+04 4 7 2.25138E+04 -1.66500E-01 -1.26024E-01 -6.058E-02 2.245E+01 7.972E+05 4 8 1.64311E+04 -1.66500E-01 -1.11040E-01 -6.014E-02 1.627E+01 1.486E+06 4 9 1.20561E+04 -1.66500E-01 -9.09144E-02 -8.742E-03 1.735E+00 4.012E+05 4 10 1.07357E+04 -1.66500E-01 -8.16180E-02 -1.797E-02 3.176E+00 1.040E+06 4 11 1.01059E+04 -1.66500E-01 -7.63284E-02 -1.284E-06 2.135E-04 8.383E+01 4 12 9.30702E+03 -1.66500E-01 -6.85882E-02 -3.022E-03 4.630E-01 2.327E+05 4 13 8.75940E+03 -1.66500E-01 -6.24670E-02 -8.142E-03 1.174E+00 7.078E+05 4 14 8.07479E+03 -1.66500E-01 -5.36466E-02 -1.531E-03 2.035E-01 1.566E+05 4 15 7.77954E+03 -1.66500E-01 -4.93636E-02 -4.520E-03 5.788E-01 4.981E+05 4 16 7.38421E+03 -1.66500E-01 -4.30925E-02 -8.974E-04 1.091E-01 1.098E+05 5 1 4.75172E+02 -1.15006E-01 -2.03277E+00 1.227E-02 9.600E-02 3.626E+08 5 2 1.94332E+03 -1.15006E-01 -5.83928E-01 4.374E-03 1.399E-01 7.725E+06 5 3 4.83313E+03 -1.15006E-01 -3.03552E-01 6.142E-03 4.886E-01 1.754E+06 5 4 6.76677E+03 -1.15006E-01 -2.49674E-01 9.598E-04 1.069E-01 1.398E+05 5 5 1.27748E+04 -1.15006E-01 -1.86339E-01 8.962E-03 1.885E+00 3.663E+05 5 6 2.03217E+04 -1.15006E-01 -1.59848E-01 1.301E-02 4.352E+00 2.101E+05 5 7 8.27072E+04 -1.15006E-01 -1.26024E-01 1.916E-01 2.609E+02 1.869E+05 5 8 2.29770E+05 -1.15006E-01 -1.11040E-01 -5.408E-02 2.045E+02 6.832E+03 5 9 3.78251E+04 -1.15006E-01 -9.09144E-02 -8.376E-02 5.215E+01 3.905E+05 5 10 2.72933E+04 -1.15006E-01 -8.16180E-02 -5.412E-02 2.431E+01 4.846E+05 5 11 2.35606E+04 -1.15006E-01 -7.63284E-02 -1.103E-05 4.279E-03 1.326E+02 5 12 1.96318E+04 -1.15006E-01 -6.85882E-02 -1.155E-02 3.734E+00 2.000E+05 5 13 1.73446E+04 -1.15006E-01 -6.24670E-02 -1.706E-02 4.870E+00 3.782E+05 5 14 1.48513E+04 -1.15006E-01 -5.36466E-02 -4.232E-03 1.035E+00 1.280E+05 5 15 1.38823E+04 -1.15006E-01 -4.93636E-02 -8.008E-03 1.830E+00 2.772E+05 5 16 1.26717E+04 -1.15006E-01 -4.30925E-02 -2.104E-03 4.389E-01 8.740E+04 6 1 4.67643E+02 -8.41321E-02 -2.03277E+00 7.446E-03 5.732E-02 2.271E+08 6 2 1.82328E+03 -8.41321E-02 -5.83928E-01 2.542E-03 7.629E-02 5.100E+06 6 3 4.15307E+03 -8.41321E-02 -3.03552E-01 3.410E-03 2.331E-01 1.319E+06 6 4 5.50475E+03 -8.41321E-02 -2.49674E-01 3.436E-04 3.113E-02 7.563E+04 6 5 8.91591E+03 -8.41321E-02 -1.86339E-01 4.928E-03 7.232E-01 4.135E+05 6 6 1.20353E+04 -8.41321E-02 -1.59848E-01 2.252E-03 4.461E-01 1.037E+05 6 7 2.17528E+04 -8.41321E-02 -1.26024E-01 7.224E-03 2.587E+00 1.018E+05 6 8 3.38661E+04 -8.41321E-02 -1.11040E-01 2.116E-02 1.180E+01 1.231E+05 6 9 1.34360E+05 -8.41321E-02 -9.09144E-02 2.254E-01 4.985E+02 8.328E+04 6 10 3.62463E+05 -8.41321E-02 -8.16180E-02 -6.716E-02 4.007E+02 3.410E+03 6 11 1.16774E+05 -8.41321E-02 -7.63284E-02 -6.612E-03 1.271E+01 3.234E+03 6 12 5.86254E+04 -8.41321E-02 -6.85882E-02 -1.028E-01 9.924E+01 1.996E+05 6 13 4.20615E+04 -8.41321E-02 -6.24670E-02 -5.082E-02 3.519E+01 1.916E+05 6 14 2.98918E+04 -8.41321E-02 -5.36466E-02 -1.505E-02 7.404E+00 1.123E+05 6 15 2.62096E+04 -8.41321E-02 -4.93636E-02 -1.651E-02 7.122E+00 1.603E+05 6 16 2.22046E+04 -8.41321E-02 -4.30925E-02 -5.418E-03 1.980E+00 7.329E+04 7 1 4.62907E+02 -6.41934E-02 -2.03277E+00 4.866E-03 3.708E-02 1.515E+08 7 2 1.75333E+03 -6.41934E-02 -5.83928E-01 1.613E-03 4.655E-02 3.499E+06 7 3 3.80712E+03 -6.41934E-02 -3.03552E-01 2.094E-03 1.312E-01 9.636E+05 7 4 4.91300E+03 -6.41934E-02 -2.49674E-01 1.670E-04 1.350E-02 4.614E+04 7 5 7.46050E+03 -6.41934E-02 -1.86339E-01 2.842E-03 3.490E-01 3.406E+05 7 6 9.52664E+03 -6.41934E-02 -1.59848E-01 8.208E-04 1.287E-01 6.032E+04 7 7 1.47381E+04 -6.41934E-02 -1.26024E-01 4.180E-03 1.014E+00 1.284E+05 7 8 1.94521E+04 -6.41934E-02 -1.11040E-01 3.740E-03 1.198E+00 6.593E+04 7 9 3.41030E+04 -6.41934E-02 -9.09144E-02 5.988E-03 3.361E+00 3.434E+04 7 10 5.22977E+04 -6.41934E-02 -8.16180E-02 2.876E-02 2.476E+01 7.014E+04 7 11 7.50941E+04 -6.41934E-02 -7.63284E-02 6.364E-03 7.867E+00 7.527E+03 7 12 2.07351E+05 -6.41934E-02 -6.85882E-02 2.518E-01 8.594E+02 3.906E+04 7 13 5.27844E+05 -6.41934E-02 -6.24670E-02 -8.462E-02 7.352E+02 2.026E+03 7 14 8.64023E+04 -6.41934E-02 -5.36466E-02 -1.284E-01 1.826E+02 1.147E+05 7 15 6.14484E+04 -6.41934E-02 -4.93636E-02 -4.926E-02 4.983E+01 8.701E+04 7 16 4.31862E+04 -6.41934E-02 -4.30925E-02 -1.841E-02 1.309E+01 6.583E+04 8 1 4.59728E+02 -5.05807E-02 -2.03277E+00 3.358E-03 2.541E-02 1.060E+08 8 2 1.70858E+03 -5.05807E-02 -5.83928E-01 1.090E-03 3.065E-02 2.490E+06 8 3 3.60225E+03 -5.05807E-02 -3.03552E-01 1.383E-03 8.202E-02 7.110E+05 8 4 4.57709E+03 -5.05807E-02 -2.49674E-01 9.564E-05 7.206E-03 3.045E+04 8 5 6.71242E+03 -5.05807E-02 -1.86339E-01 1.795E-03 1.983E-01 2.657E+05 8 6 8.33980E+03 -5.05807E-02 -1.59848E-01 4.036E-04 5.541E-02 3.870E+04 8 7 1.20788E+04 -5.05807E-02 -1.26024E-01 2.474E-03 4.919E-01 1.131E+05 8 8 1.50724E+04 -5.05807E-02 -1.11040E-01 1.380E-03 3.424E-01 4.052E+04 8 9 2.25932E+04 -5.05807E-02 -9.09144E-02 3.636E-03 1.352E+00 4.751E+04 8 10 2.93604E+04 -5.05807E-02 -8.16180E-02 5.160E-03 2.494E+00 3.992E+04 8 11 3.53922E+04 -5.05807E-02 -7.63284E-02 5.966E-04 3.476E-01 3.177E+03 8 12 5.06049E+04 -5.05807E-02 -6.85882E-02 5.726E-03 4.770E+00 1.491E+04 8 13 7.66653E+04 -5.05807E-02 -6.24670E-02 3.994E-02 5.040E+01 4.532E+04 8 14 2.97226E+05 -5.05807E-02 -5.36466E-02 2.876E-01 1.407E+03 2.171E+04 8 15 7.48720E+05 -5.05807E-02 -4.93636E-02 -9.806E-02 1.209E+03 1.167E+03 8 16 1.21694E+05 -5.05807E-02 -4.30925E-02 -1.524E-01 3.052E+02 6.863E+04 9 1 4.57488E+02 -4.08776E-02 -2.03277E+00 2.418E-03 1.821E-02 7.706E+07 9 2 1.67805E+03 -4.08776E-02 -5.83928E-01 7.722E-04 2.133E-02 1.829E+06 9 3 3.46919E+03 -4.08776E-02 -3.03552E-01 9.650E-04 5.511E-02 5.348E+05 9 4 4.36438E+03 -4.08776E-02 -2.49674E-01 6.070E-05 4.361E-03 2.125E+04 9 5 6.26467E+03 -4.08776E-02 -1.86339E-01 1.213E-03 1.251E-01 2.061E+05 9 6 7.65961E+03 -4.08776E-02 -1.59848E-01 2.332E-04 2.940E-02 2.651E+04 9 7 1.07024E+04 -4.08776E-02 -1.26024E-01 1.591E-03 2.804E-01 9.267E+04 9 8 1.29880E+04 -4.08776E-02 -1.11040E-01 6.840E-04 1.462E-01 2.705E+04 9 9 1.82119E+04 -4.08776E-02 -9.09144E-02 2.194E-03 6.577E-01 4.412E+04 9 10 2.23677E+04 -4.08776E-02 -8.16180E-02 1.920E-03 7.071E-01 2.560E+04 9 11 2.57051E+04 -4.08776E-02 -7.63284E-02 1.794E-04 7.592E-02 1.811E+03 9 12 3.28851E+04 -4.08776E-02 -6.85882E-02 3.484E-03 1.886E+00 2.149E+04 9 13 4.22090E+04 -4.08776E-02 -6.24670E-02 7.234E-03 5.026E+00 2.708E+04 9 14 7.13656E+04 -4.08776E-02 -5.36466E-02 4.980E-03 5.850E+00 6.522E+03 9 15 1.07385E+05 -4.08776E-02 -4.93636E-02 4.922E-02 8.700E+01 2.847E+04 9 16 4.11426E+05 -4.08776E-02 -4.30925E-02 3.200E-01 2.167E+03 1.261E+04 1 3 1 1 2 0 :isi,li,ipi,isj,lj,ipj 13 16 208 : ni,nj,ntrs/i,j,wl(A),Ei(Ry),Ej(Ry),f,S,A(/s) 1 1 5.74683E+02 -4.47084E-01 -2.03277E+00 2.558E-01 2.420E+00 3.690E+09 1 2 6.65917E+03 -4.47084E-01 -5.83928E-01 5.748E-01 6.301E+01 6.175E+07 1 3 6.34888E+03 -4.47084E-01 -3.03552E-01 -1.226E-01 1.794E+01 2.841E+07 1 4 4.61611E+03 -4.47084E-01 -2.49674E-01 -1.683E-03 1.790E-01 7.375E+05 1 5 3.49486E+03 -4.47084E-01 -1.86339E-01 -1.398E-02 1.126E+00 1.069E+07 1 6 3.17254E+03 -4.47084E-01 -1.59848E-01 -2.690E-04 1.967E-02 2.496E+05 1 7 2.83831E+03 -4.47084E-01 -1.26024E-01 -4.761E-03 3.114E-01 5.519E+06 1 8 2.71175E+03 -4.47084E-01 -1.11040E-01 -9.697E-05 6.060E-03 1.231E+05 1 9 2.55852E+03 -4.47084E-01 -9.09144E-02 -2.290E-03 1.350E-01 3.267E+06 1 10 2.49344E+03 -4.47084E-01 -8.16180E-02 -4.774E-05 2.743E-03 7.171E+04 1 11 2.45786E+03 -4.47084E-01 -7.63284E-02 -9.264E-06 5.247E-04 1.432E+04 1 12 2.40760E+03 -4.47084E-01 -6.85882E-02 -1.290E-03 7.159E-02 2.079E+06 1 13 2.36928E+03 -4.47084E-01 -6.24670E-02 -2.749E-05 1.501E-03 4.572E+04 1 14 2.31617E+03 -4.47084E-01 -5.36466E-02 -8.240E-04 4.398E-02 1.434E+06 1 15 2.29123E+03 -4.47084E-01 -4.93636E-02 -1.759E-05 9.285E-04 3.128E+04 1 16 2.25566E+03 -4.47084E-01 -4.30925E-02 -5.591E-04 2.906E-02 1.026E+06 2 1 5.11567E+02 -2.51444E-01 -2.03277E+00 1.024E-01 8.624E-01 1.865E+09 2 2 2.74078E+03 -2.51444E-01 -5.83928E-01 4.020E-02 1.814E+00 2.550E+07 2 3 1.74880E+04 -2.51444E-01 -3.03552E-01 8.926E-01 2.569E+02 1.390E+07 2 4 5.14839E+05 -2.51444E-01 -2.49674E-01 -6.374E-06 7.563E-02 2.246E-01 2 5 1.39969E+04 -2.51444E-01 -1.86339E-01 -2.487E-01 8.022E+01 1.185E+07 2 6 9.94876E+03 -2.51444E-01 -1.59848E-01 -1.493E-03 3.423E-01 1.408E+05 2 7 7.26572E+03 -2.51444E-01 -1.26024E-01 -2.829E-02 4.736E+00 5.003E+06 2 8 6.49032E+03 -2.51444E-01 -1.11040E-01 -3.244E-04 4.852E-02 7.192E+04 2 9 5.67663E+03 -2.51444E-01 -9.09144E-02 -9.567E-03 1.252E+00 2.772E+06 2 10 5.36589E+03 -2.51444E-01 -8.16180E-02 -1.316E-04 1.627E-02 4.268E+04 2 11 5.20380E+03 -2.51444E-01 -7.63284E-02 -1.275E-05 1.529E-03 4.397E+03 2 12 4.98353E+03 -2.51444E-01 -6.85882E-02 -4.570E-03 5.248E-01 1.718E+06 2 13 4.82211E+03 -2.51444E-01 -6.24670E-02 -6.433E-05 7.148E-03 2.583E+04 2 14 4.60707E+03 -2.51444E-01 -5.36466E-02 -2.633E-03 2.795E-01 1.158E+06 2 15 4.50943E+03 -2.51444E-01 -4.93636E-02 -3.836E-05 3.986E-03 1.761E+04 2 16 4.37370E+03 -2.51444E-01 -4.30925E-02 -1.674E-03 1.688E-01 8.173E+05 3 1 4.86810E+02 -1.60856E-01 -2.03277E+00 4.844E-02 3.882E-01 9.738E+08 3 2 2.15393E+03 -1.60856E-01 -5.83928E-01 2.280E-02 8.084E-01 2.341E+07 3 3 6.38607E+03 -1.60856E-01 -3.03552E-01 1.134E-02 1.192E+00 1.325E+06 3 4 1.02599E+04 -1.60856E-01 -2.49674E-01 6.152E-02 1.039E+01 2.784E+06 3 5 3.57598E+04 -1.60856E-01 -1.86339E-01 1.102E+00 6.488E+02 4.106E+06 3 6 9.04045E+05 -1.60856E-01 -1.59848E-01 -4.689E-04 9.768E+00 5.357E+00 3 7 2.61618E+04 -1.60856E-01 -1.26024E-01 -3.614E-01 2.179E+02 4.931E+06 3 8 1.82927E+04 -1.60856E-01 -1.11040E-01 -4.134E-04 1.743E-01 1.154E+04 3 9 1.30290E+04 -1.60856E-01 -9.09144E-02 -4.109E-02 1.234E+01 2.260E+06 3 10 1.15004E+04 -1.60856E-01 -8.16180E-02 -1.414E-04 3.747E-02 9.982E+03 3 11 1.07807E+04 -1.60856E-01 -7.63284E-02 -1.783E-05 4.429E-03 1.432E+03 3 12 9.87633E+03 -1.60856E-01 -6.85882E-02 -1.387E-02 3.156E+00 1.328E+06 3 13 9.26188E+03 -1.60856E-01 -6.24670E-02 -5.879E-05 1.255E-02 6.399E+03 3 14 8.49988E+03 -1.60856E-01 -5.36466E-02 -6.726E-03 1.317E+00 8.693E+05 3 15 8.17336E+03 -1.60856E-01 -4.93636E-02 -3.383E-05 6.372E-03 4.729E+03 3 16 7.73811E+03 -1.60856E-01 -4.30925E-02 -3.867E-03 6.896E-01 6.031E+05 4 1 4.86573E+02 -1.59941E-01 -2.03277E+00 2.076E-03 1.663E-02 4.178E+07 4 2 2.14928E+03 -1.59941E-01 -5.83928E-01 1.229E-03 4.347E-02 1.267E+06 4 3 6.34539E+03 -1.59941E-01 -3.03552E-01 1.874E-03 1.958E-01 2.218E+05 4 4 1.01553E+04 -1.59941E-01 -2.49674E-01 1.285E+00 2.148E+02 5.935E+07 4 5 3.45203E+04 -1.59941E-01 -1.86339E-01 6.078E-02 3.454E+01 2.430E+05 4 6 9.79877E+06 -1.59941E-01 -1.59848E-01 -1.546E-03 3.490E+02 1.503E-01 4 7 2.68676E+04 -1.59941E-01 -1.26024E-01 -1.839E-02 1.138E+01 2.378E+05 4 8 1.86349E+04 -1.59941E-01 -1.11040E-01 -7.586E-03 3.258E+00 2.040E+05 4 9 1.32017E+04 -1.59941E-01 -9.09144E-02 -1.964E-03 5.976E-01 1.052E+05 4 10 1.16347E+04 -1.59941E-01 -8.16180E-02 -1.270E-03 3.405E-01 8.760E+04 4 11 1.08987E+04 -1.59941E-01 -7.63284E-02 -4.584E-07 1.151E-04 3.604E+01 4 12 9.97525E+03 -1.59941E-01 -6.85882E-02 -6.727E-04 1.546E-01 6.313E+04 4 13 9.34882E+03 -1.59941E-01 -6.24670E-02 -4.190E-04 9.027E-02 4.477E+04 4 14 8.57305E+03 -1.59941E-01 -5.36466E-02 -3.189E-04 6.299E-02 4.051E+04 4 15 8.24099E+03 -1.59941E-01 -4.93636E-02 -1.960E-04 3.722E-02 2.695E+04 4 16 7.79871E+03 -1.59941E-01 -4.30925E-02 -1.819E-04 3.268E-02 2.792E+04 5 1 4.74339E+02 -1.11638E-01 -2.03277E+00 2.722E-02 2.125E-01 5.764E+08 5 2 1.92947E+03 -1.11638E-01 -5.83928E-01 1.296E-02 4.115E-01 1.658E+07 5 3 4.74831E+03 -1.11638E-01 -3.03552E-01 1.049E-02 8.199E-01 2.217E+06 5 4 6.60166E+03 -1.11638E-01 -2.49674E-01 9.346E-03 1.016E+00 1.022E+06 5 5 1.21989E+04 -1.11638E-01 -1.86339E-01 3.480E-03 6.988E-01 1.114E+05 5 6 1.89020E+04 -1.11638E-01 -1.59848E-01 6.262E-02 1.948E+01 8.350E+05 5 7 6.33441E+04 -1.11638E-01 -1.26024E-01 1.328E+00 1.385E+03 1.577E+06 5 8 1.52386E+06 -1.11638E-01 -1.11040E-01 -1.136E-03 3.990E+01 4.569E+00 5 9 4.39724E+04 -1.11638E-01 -9.09144E-02 -4.837E-01 4.902E+02 2.336E+06 5 10 3.03553E+04 -1.11638E-01 -8.16180E-02 -6.804E-05 4.760E-02 6.895E+02 5 11 2.58079E+04 -1.11638E-01 -7.63284E-02 -4.751E-05 2.826E-02 6.661E+02 5 12 2.11677E+04 -1.11638E-01 -6.85882E-02 -5.449E-02 2.658E+01 1.135E+06 5 13 1.85326E+04 -1.11638E-01 -6.24670E-02 -3.096E-05 1.322E-02 8.416E+02 5 14 1.57138E+04 -1.11638E-01 -5.36466E-02 -1.861E-02 6.741E+00 7.039E+05 5 15 1.46331E+04 -1.11638E-01 -4.93636E-02 -2.061E-05 6.951E-03 8.990E+02 5 16 1.32943E+04 -1.11638E-01 -4.30925E-02 -8.997E-03 2.756E+00 4.754E+05 6 1 4.74197E+02 -1.11064E-01 -2.03277E+00 1.366E-03 1.066E-02 2.894E+07 6 2 1.92712E+03 -1.11064E-01 -5.83928E-01 8.244E-04 2.615E-02 1.058E+06 6 3 4.73415E+03 -1.11064E-01 -3.03552E-01 1.197E-03 9.325E-02 2.544E+05 6 4 6.57432E+03 -1.11064E-01 -2.49674E-01 1.713E-01 1.854E+01 1.888E+07 6 5 1.21058E+04 -1.11064E-01 -1.86339E-01 5.790E-04 1.154E-01 1.882E+04 6 6 1.86796E+04 -1.11064E-01 -1.59848E-01 1.126E+00 3.462E+02 1.537E+07 6 7 6.09136E+04 -1.11064E-01 -1.26024E-01 8.656E-02 8.679E+01 1.111E+05 6 8 3.79721E+07 -1.11064E-01 -1.11040E-01 -1.287E-03 1.126E+03 8.335E-03 6 9 4.52251E+04 -1.11064E-01 -9.09144E-02 -2.926E-02 3.049E+01 1.336E+05 6 10 3.09471E+04 -1.11064E-01 -8.16180E-02 -1.946E-02 1.388E+01 1.897E+05 6 11 2.62344E+04 -1.11064E-01 -7.63284E-02 -5.933E-06 3.587E-03 8.049E+01 6 12 2.14538E+04 -1.11064E-01 -6.85882E-02 -3.253E-03 1.608E+00 6.599E+04 6 13 1.87515E+04 -1.11064E-01 -6.24670E-02 -3.366E-03 1.454E+00 8.938E+04 6 14 1.58709E+04 -1.11064E-01 -5.36466E-02 -1.073E-03 3.925E-01 3.979E+04 6 15 1.47692E+04 -1.11064E-01 -4.93636E-02 -1.187E-03 4.040E-01 5.081E+04 6 16 1.34066E+04 -1.11064E-01 -4.30925E-02 -5.124E-04 1.583E-01 2.662E+04 7 1 4.67126E+02 -8.19763E-02 -2.03277E+00 1.689E-02 1.299E-01 3.688E+08 7 2 1.81545E+03 -8.19763E-02 -5.83928E-01 7.988E-03 2.387E-01 1.155E+07 7 3 4.11267E+03 -8.19763E-02 -3.03552E-01 6.922E-03 4.686E-01 1.950E+06 7 4 5.43399E+03 -8.19763E-02 -2.49674E-01 3.032E-03 2.712E-01 4.892E+05 7 5 8.73173E+03 -8.19763E-02 -1.86339E-01 5.660E-03 8.135E-01 3.537E+05 7 6 1.17022E+04 -8.19763E-02 -1.59848E-01 1.199E-02 2.309E+00 4.171E+05 7 7 2.06882E+04 -8.19763E-02 -1.26024E-01 6.672E-04 2.272E-01 7.427E+03 7 8 3.13541E+04 -8.19763E-02 -1.11040E-01 5.944E-02 3.068E+01 2.881E+05 7 9 1.01953E+05 -8.19763E-02 -9.09144E-02 1.554E+00 2.607E+03 7.121E+05 7 10 2.54332E+06 -8.19763E-02 -8.16180E-02 -1.444E-03 8.465E+01 2.085E+00 7 11 1.61346E+05 -8.19763E-02 -7.63284E-02 -8.751E-03 3.254E+01 3.139E+03 7 12 6.80654E+04 -8.19763E-02 -6.85882E-02 -5.994E-01 9.402E+02 1.208E+06 7 13 4.67094E+04 -8.19763E-02 -6.24670E-02 -2.270E-05 2.443E-02 9.715E+01 7 14 3.21665E+04 -8.19763E-02 -5.36466E-02 -6.864E-02 5.088E+01 6.195E+05 7 15 2.79421E+04 -8.19763E-02 -4.93636E-02 -6.594E-07 4.246E-04 7.887E+00 7 16 2.34356E+04 -8.19763E-02 -4.30925E-02 -2.331E-02 1.259E+01 3.964E+05 8 1 4.67036E+02 -8.15994E-02 -2.03277E+00 8.708E-04 6.694E-03 1.902E+07 8 2 1.81409E+03 -8.15994E-02 -5.83928E-01 5.260E-04 1.571E-02 7.615E+05 8 3 4.10568E+03 -8.15994E-02 -3.03552E-01 7.150E-04 4.832E-02 2.021E+05 8 4 5.42180E+03 -8.15994E-02 -2.49674E-01 5.450E-02 4.864E+00 8.833E+06 8 5 8.70031E+03 -8.15994E-02 -1.86339E-01 6.300E-04 9.022E-02 3.965E+04 8 6 1.16458E+04 -8.15994E-02 -1.59848E-01 2.158E-01 4.137E+01 7.581E+06 8 7 2.05127E+04 -8.15994E-02 -1.26024E-01 1.216E-04 4.106E-02 1.377E+03 8 8 3.09527E+04 -8.15994E-02 -1.11040E-01 1.053E+00 5.365E+02 5.236E+06 8 9 9.78279E+04 -8.15994E-02 -9.09144E-02 1.033E-01 1.663E+02 5.141E+04 8 10 4.89821E+07 -8.15994E-02 -8.16180E-02 3.100E-03 2.499E+03 6.156E-03 8 11 1.72883E+05 -8.15994E-02 -7.63284E-02 -1.162E-03 4.628E+00 3.629E+02 8 12 7.00371E+04 -8.15994E-02 -6.85882E-02 -3.969E-02 6.405E+01 7.555E+04 8 13 4.76295E+04 -8.15994E-02 -6.24670E-02 -3.351E-02 3.679E+01 1.379E+05 8 14 3.26002E+04 -8.15994E-02 -5.36466E-02 -4.221E-03 3.171E+00 3.709E+04 8 15 2.82688E+04 -8.15994E-02 -4.93636E-02 -6.271E-03 4.086E+00 7.328E+04 8 16 2.36650E+04 -8.15994E-02 -4.30925E-02 -1.405E-03 7.663E-01 2.343E+04 9 1 4.62564E+02 -6.27353E-02 -2.03277E+00 1.121E-02 8.537E-02 2.496E+08 9 2 1.74843E+03 -6.27353E-02 -5.83928E-01 5.266E-03 1.516E-01 8.207E+06 9 3 3.78407E+03 -6.27353E-02 -3.03552E-01 4.626E-03 2.881E-01 1.539E+06 9 4 4.87468E+03 -6.27353E-02 -2.49674E-01 1.372E-03 1.101E-01 2.750E+05 9 5 7.37249E+03 -6.27353E-02 -1.86339E-01 4.264E-03 5.175E-01 3.737E+05 9 6 9.38360E+03 -6.27353E-02 -1.59848E-01 4.382E-03 6.768E-01 2.371E+05 9 7 1.43986E+04 -6.27353E-02 -1.26024E-01 3.138E-03 7.437E-01 7.211E+04 9 8 1.88650E+04 -6.27353E-02 -1.11040E-01 1.275E-02 3.959E+00 1.707E+05 9 9 3.23384E+04 -6.27353E-02 -9.09144E-02 4.940E-07 2.630E-04 2.250E+00 9 10 4.82593E+04 -6.27353E-02 -8.16180E-02 5.442E-02 4.323E+01 1.113E+05 9 11 6.70389E+04 -6.27353E-02 -7.63284E-02 2.064E-02 2.278E+01 2.188E+04 9 12 1.55695E+05 -6.27353E-02 -6.85882E-02 1.753E+00 4.493E+03 3.445E+05 9 13 3.39651E+06 -6.27353E-02 -6.24670E-02 -2.314E-03 1.811E+02 1.873E+00 9 14 1.00264E+05 -6.27353E-02 -5.36466E-02 -7.310E-01 1.689E+03 6.790E+05 9 15 6.81489E+04 -6.27353E-02 -4.93636E-02 -1.923E-04 3.020E-01 3.866E+02 9 16 4.63919E+04 -6.27353E-02 -4.30925E-02 -8.249E-02 8.819E+01 3.579E+05 10 1 4.62503E+02 -6.24764E-02 -2.03277E+00 5.790E-04 4.408E-03 1.290E+07 10 2 1.74756E+03 -6.24764E-02 -5.83928E-01 3.490E-04 1.004E-02 5.444E+05 10 3 3.78001E+03 -6.24764E-02 -3.03552E-01 4.534E-04 2.821E-02 1.512E+05 10 4 4.86794E+03 -6.24764E-02 -2.49674E-01 2.472E-02 1.981E+00 4.970E+06 10 5 7.35708E+03 -6.24764E-02 -1.86339E-01 4.346E-04 5.263E-02 3.825E+04 10 6 9.35865E+03 -6.24764E-02 -1.59848E-01 7.956E-02 1.226E+01 4.328E+06 10 7 1.43399E+04 -6.24764E-02 -1.26024E-01 3.230E-04 7.624E-02 7.483E+03 10 8 1.87644E+04 -6.24764E-02 -1.11040E-01 2.322E-01 7.172E+01 3.142E+06 10 9 3.20440E+04 -6.24764E-02 -9.09144E-02 1.028E-06 5.424E-04 4.772E+00 10 10 4.76066E+04 -6.24764E-02 -8.16180E-02 1.013E+00 7.940E+02 2.130E+06 10 11 6.57860E+04 -6.24764E-02 -7.63284E-02 6.410E-03 6.941E+00 7.056E+03 10 12 1.49100E+05 -6.24764E-02 -6.85882E-02 1.247E-01 3.060E+02 2.672E+04 10 13 9.69546E+07 -6.24764E-02 -6.24670E-02 -2.097E-03 4.686E+03 2.083E-03 10 14 1.03204E+05 -6.24764E-02 -5.36466E-02 -4.817E-02 1.146E+02 4.223E+04 10 15 6.94945E+04 -6.24764E-02 -4.93636E-02 -5.057E-02 8.099E+01 9.778E+04 10 16 4.70115E+04 -6.24764E-02 -4.30925E-02 -5.133E-03 5.561E+00 2.169E+04 11 1 4.59489E+02 -4.95505E-02 -2.03277E+00 7.826E-03 5.919E-02 1.766E+08 11 2 1.70529E+03 -4.95505E-02 -5.83928E-01 3.654E-03 1.026E-01 5.986E+06 11 3 3.58764E+03 -4.95505E-02 -3.03552E-01 3.214E-03 1.898E-01 1.190E+06 11 4 4.55352E+03 -4.95505E-02 -2.49674E-01 7.468E-04 5.598E-02 1.716E+05 11 5 6.66187E+03 -4.95505E-02 -1.86339E-01 3.050E-03 3.345E-01 3.274E+05 11 6 8.26190E+03 -4.95505E-02 -1.59848E-01 2.130E-03 2.897E-01 1.487E+05 11 7 1.19161E+04 -4.95505E-02 -1.26024E-01 2.740E-03 5.374E-01 9.193E+04 11 8 1.48199E+04 -4.95505E-02 -1.11040E-01 4.982E-03 1.215E+00 1.081E+05 11 9 2.20305E+04 -4.95505E-02 -9.09144E-02 1.652E-03 5.989E-01 1.621E+04 11 10 2.84172E+04 -4.95505E-02 -8.16180E-02 1.244E-02 5.819E+00 7.339E+04 11 11 3.40306E+04 -4.95505E-02 -7.63284E-02 2.556E-03 1.432E+00 1.052E+04 11 12 4.78665E+04 -4.95505E-02 -6.85882E-02 2.104E-04 1.658E-01 4.375E+02 11 13 7.05506E+04 -4.95505E-02 -6.24670E-02 5.716E-02 6.638E+01 5.471E+04 11 14 2.22472E+05 -4.95505E-02 -5.36466E-02 1.987E+00 7.275E+03 1.912E+05 11 15 4.87565E+06 -4.95505E-02 -4.93636E-02 -2.756E-03 3.096E+02 1.082E+00 11 16 1.41107E+05 -4.95505E-02 -4.30925E-02 -8.580E-01 2.790E+03 4.024E+05 12 1 4.59446E+02 -4.93655E-02 -2.03277E+00 4.024E-04 3.043E-03 9.082E+06 12 2 1.70470E+03 -4.93655E-02 -5.83928E-01 2.420E-04 6.791E-03 3.967E+05 12 3 3.58503E+03 -4.93655E-02 -3.03552E-01 3.048E-04 1.799E-02 1.130E+05 12 4 4.54932E+03 -4.93655E-02 -2.49674E-01 1.353E-02 1.013E+00 3.115E+06 12 5 6.65287E+03 -4.93655E-02 -1.86339E-01 2.972E-04 3.255E-02 3.199E+04 12 6 8.24807E+03 -4.93655E-02 -1.59848E-01 3.900E-02 5.295E+00 2.731E+06 12 7 1.18874E+04 -4.93655E-02 -1.26024E-01 2.630E-04 5.146E-02 8.867E+03 12 8 1.47754E+04 -4.93655E-02 -1.11040E-01 9.202E-02 2.238E+01 2.008E+06 12 9 2.19324E+04 -4.93655E-02 -9.09144E-02 1.469E-04 5.303E-02 1.455E+03 12 10 2.82542E+04 -4.93655E-02 -8.16180E-02 2.396E-01 1.114E+02 1.430E+06 12 11 3.37971E+04 -4.93655E-02 -7.63284E-02 6.086E-04 3.386E-01 2.538E+03 12 12 4.74058E+04 -4.93655E-02 -6.85882E-02 9.488E-06 7.404E-03 2.011E+01 12 13 6.95544E+04 -4.93655E-02 -6.24670E-02 1.010E+00 1.156E+03 9.946E+05 12 14 2.12858E+05 -4.93655E-02 -5.36466E-02 1.375E-01 4.818E+02 1.446E+04 12 15 4.78701E+08 -4.93655E-02 -4.93636E-02 -7.400E-04 8.163E+03 3.015E-05 12 16 1.45268E+05 -4.93655E-02 -4.30925E-02 -5.666E-02 1.897E+02 2.507E+04 13 1 4.57315E+02 -4.01236E-02 -2.03277E+00 5.682E-03 4.277E-02 1.294E+08 13 2 1.67573E+03 -4.01236E-02 -5.83928E-01 2.640E-03 7.282E-02 4.479E+06 13 3 3.45926E+03 -4.01236E-02 -3.03552E-01 2.318E-03 1.320E-01 9.229E+05 13 4 4.34868E+03 -4.01236E-02 -2.49674E-01 4.568E-04 3.270E-02 1.151E+05 13 5 6.23236E+03 -4.01236E-02 -1.86339E-01 2.214E-03 2.271E-01 2.716E+05 13 6 7.61137E+03 -4.01236E-02 -1.59848E-01 1.215E-03 1.522E-01 9.988E+04 13 7 1.06084E+04 -4.01236E-02 -1.26024E-01 2.096E-03 3.660E-01 8.873E+04 13 8 1.28499E+04 -4.01236E-02 -1.11040E-01 2.528E-03 5.347E-01 7.294E+04 13 9 1.79416E+04 -4.01236E-02 -9.09144E-02 1.750E-03 5.169E-01 2.590E+04 13 10 2.19612E+04 -4.01236E-02 -8.16180E-02 5.062E-03 1.830E+00 5.000E+04 13 11 2.51698E+04 -4.01236E-02 -7.63284E-02 8.450E-04 3.501E-01 6.355E+03 13 12 3.20141E+04 -4.01236E-02 -6.85882E-02 1.052E-03 5.543E-01 4.889E+03 13 13 4.07846E+04 -4.01236E-02 -6.24670E-02 1.351E-02 9.072E+00 3.871E+04 13 14 6.73865E+04 -4.01236E-02 -5.36466E-02 1.176E-03 1.304E+00 1.233E+03 13 15 9.86220E+04 -4.01236E-02 -4.93636E-02 5.590E-02 9.075E+01 2.738E+04 13 16 3.06938E+05 -4.01236E-02 -4.30925E-02 2.206E+00 1.115E+04 1.116E+05 1 2 1 1 3 0 :isi,li,ipi,isj,lj,ipj 9 7 63 : ni,nj,ntrs/i,j,wl(A),Ei(Ry),Ej(Ry),f,S,A(/s) 1 1 1.53968E+03 -8.43793E-01 -2.51937E-01 -1.090E-02 2.761E-01 2.190E+07 1 2 1.33519E+03 -8.43793E-01 -1.61295E-01 -5.646E-03 1.241E-01 1.509E+07 1 3 1.24515E+03 -8.43793E-01 -1.11938E-01 -3.190E-03 6.538E-02 9.802E+06 1 4 1.19650E+03 -8.43793E-01 -8.21803E-02 -1.968E-03 3.875E-02 6.548E+06 1 5 1.16692E+03 -8.43793E-01 -6.28778E-02 -1.298E-03 2.494E-02 4.542E+06 1 6 1.14749E+03 -8.43793E-01 -4.96532E-02 -9.016E-04 1.703E-02 3.262E+06 1 7 1.13399E+03 -8.43793E-01 -4.01998E-02 -6.516E-04 1.216E-02 2.414E+06 2 1 4.24005E+03 -4.66856E-01 -2.51937E-01 -7.900E-01 5.514E+01 2.093E+08 2 2 2.98228E+03 -4.66856E-01 -1.61295E-01 -1.386E-01 6.806E+00 7.426E+07 2 3 2.56754E+03 -4.66856E-01 -1.11938E-01 -4.936E-02 2.086E+00 3.567E+07 2 4 2.36892E+03 -4.66856E-01 -8.21803E-02 -2.372E-02 9.249E-01 2.014E+07 2 5 2.25573E+03 -4.66856E-01 -6.28778E-02 -1.343E-02 4.987E-01 1.257E+07 2 6 2.18423E+03 -4.66856E-01 -4.96532E-02 -8.430E-03 3.031E-01 8.418E+06 2 7 2.13583E+03 -4.66856E-01 -4.01998E-02 -5.678E-03 1.996E-01 5.930E+06 3 1 9.25708E+04 -2.61781E-01 -2.51937E-01 -1.127E-01 1.718E+02 6.268E+04 3 2 9.06860E+03 -2.61781E-01 -1.61295E-01 -6.194E-01 9.246E+01 3.588E+07 3 3 6.08148E+03 -2.61781E-01 -1.11938E-01 -1.552E-01 1.554E+01 2.000E+07 3 4 5.07385E+03 -2.61781E-01 -8.21803E-02 -6.450E-02 5.387E+00 1.194E+07 3 5 4.58146E+03 -2.61781E-01 -6.28778E-02 -3.384E-02 2.552E+00 7.681E+06 3 6 4.29584E+03 -2.61781E-01 -4.96532E-02 -2.030E-02 1.435E+00 5.241E+06 3 7 4.11256E+03 -2.61781E-01 -4.01998E-02 -1.327E-02 8.985E-01 3.739E+06 4 1 1.06660E+04 -1.66500E-01 -2.51937E-01 1.903E-02 4.677E+00 1.562E+06 4 2 1.75075E+05 -1.66500E-01 -1.61295E-01 -2.112E-01 6.086E+02 3.283E+04 4 3 1.67015E+04 -1.66500E-01 -1.11938E-01 -5.364E-01 1.475E+02 9.161E+06 4 4 1.08073E+04 -1.66500E-01 -8.21803E-02 -1.515E-01 2.694E+01 6.178E+06 4 5 8.79413E+03 -1.66500E-01 -6.28778E-02 -6.708E-02 9.710E+00 4.132E+06 4 6 7.79882E+03 -1.66500E-01 -4.96532E-02 -3.666E-02 4.706E+00 2.872E+06 4 7 7.21509E+03 -1.66500E-01 -4.01998E-02 -2.262E-02 2.686E+00 2.070E+06 5 1 6.65494E+03 -1.15006E-01 -2.51937E-01 3.163E-03 4.851E-01 6.669E+05 5 2 1.96865E+04 -1.15006E-01 -1.61295E-01 4.731E-02 2.147E+01 1.140E+06 5 3 2.97023E+05 -1.15006E-01 -1.11938E-01 -3.008E-01 1.471E+03 1.624E+04 5 4 2.77608E+04 -1.15006E-01 -8.21803E-02 -4.946E-01 2.260E+02 3.058E+06 5 5 1.74813E+04 -1.15006E-01 -6.28778E-02 -1.472E-01 4.235E+01 2.294E+06 5 6 1.39438E+04 -1.15006E-01 -4.96532E-02 -6.734E-02 1.546E+01 1.650E+06 5 7 1.21817E+04 -1.15006E-01 -4.01998E-02 -3.764E-02 7.548E+00 1.208E+06 6 1 5.43052E+03 -8.41321E-02 -2.51937E-01 1.119E-03 1.400E-01 3.543E+05 6 2 1.18097E+04 -8.41321E-02 -1.61295E-01 8.284E-03 2.255E+00 5.547E+05 6 3 3.27724E+04 -8.41321E-02 -1.11938E-01 8.091E-02 6.111E+01 7.035E+05 6 4 4.66886E+05 -8.41321E-02 -8.21803E-02 -3.846E-01 2.956E+03 8.406E+03 6 5 4.28745E+04 -8.41321E-02 -6.28778E-02 -4.736E-01 3.342E+02 1.227E+06 6 6 2.64297E+04 -8.41321E-02 -4.96532E-02 -1.445E-01 6.286E+01 9.855E+05 6 7 2.07425E+04 -8.41321E-02 -4.01998E-02 -6.730E-02 2.298E+01 7.452E+05 7 1 4.85379E+03 -6.41934E-02 -2.51937E-01 5.391E-04 6.031E-02 2.137E+05 7 2 9.38468E+03 -6.41934E-02 -1.61295E-01 3.006E-03 6.500E-01 3.187E+05 7 3 1.90863E+04 -6.41934E-02 -1.11938E-01 1.460E-02 6.422E+00 3.742E+05 7 4 5.06628E+04 -6.41934E-02 -8.21803E-02 1.179E-01 1.377E+02 4.289E+05 7 5 6.92662E+05 -6.41934E-02 -6.28778E-02 -4.642E-01 5.293E+03 4.609E+03 7 6 6.26723E+04 -6.41934E-02 -4.96532E-02 -4.642E-01 4.789E+02 5.630E+05 7 7 3.79796E+04 -6.41934E-02 -4.01998E-02 -1.434E-01 8.965E+01 4.736E+05 8 1 4.52564E+03 -5.05807E-02 -2.51937E-01 3.071E-04 3.203E-02 1.400E+05 8 2 8.23080E+03 -5.05807E-02 -1.61295E-01 1.471E-03 2.791E-01 2.028E+05 8 3 1.48518E+04 -5.05807E-02 -1.11938E-01 5.383E-03 1.842E+00 2.279E+05 8 4 2.88379E+04 -5.05807E-02 -8.21803E-02 2.169E-02 1.441E+01 2.435E+05 8 5 7.41042E+04 -5.05807E-02 -6.28778E-02 1.571E-01 2.684E+02 2.672E+05 8 6 9.82498E+05 -5.05807E-02 -4.96532E-02 -5.412E-01 8.753E+03 2.671E+03 8 7 8.77831E+04 -5.05807E-02 -4.01998E-02 -4.620E-01 6.676E+02 2.856E+05 9 1 4.31759E+03 -4.08776E-02 -2.51937E-01 1.940E-04 1.930E-02 9.718E+04 9 2 7.56757E+03 -4.08776E-02 -1.61295E-01 8.467E-04 1.477E-01 1.381E+05 9 3 1.28238E+04 -4.08776E-02 -1.11938E-01 2.660E-03 7.861E-01 1.510E+05 9 4 2.20631E+04 -4.08776E-02 -8.21803E-02 8.089E-03 4.113E+00 1.552E+05 9 5 4.14209E+04 -4.08776E-02 -6.28778E-02 2.933E-02 2.800E+01 1.596E+05 9 6 1.03841E+05 -4.08776E-02 -4.96532E-02 1.980E-01 4.738E+02 1.715E+05 9 7 1.34445E+06 -4.08776E-02 -4.01998E-02 -6.160E-01 1.363E+04 1.624E+03 1 3 1 1 3 0 :isi,li,ipi,isj,lj,ipj 13 7 91 : ni,nj,ntrs/i,j,wl(A),Ei(Ry),Ej(Ry),f,S,A(/s) 1 1 4.66964E+03 -4.47084E-01 -2.51937E-01 -8.017E-02 8.627E+00 2.452E+07 1 2 3.18860E+03 -4.47084E-01 -1.61295E-01 -1.156E-02 8.498E-01 7.586E+06 1 3 2.71902E+03 -4.47084E-01 -1.11938E-01 -3.779E-03 2.368E-01 3.409E+06 1 4 2.49728E+03 -4.47084E-01 -8.21803E-02 -1.729E-03 9.948E-02 1.849E+06 1 5 2.37182E+03 -4.47084E-01 -6.28778E-02 -9.494E-04 5.189E-02 1.126E+06 1 6 2.29290E+03 -4.47084E-01 -4.96532E-02 -5.836E-04 3.084E-02 7.404E+05 1 7 2.23962E+03 -4.47084E-01 -4.01998E-02 -3.873E-04 1.999E-02 5.150E+05 2 1 1.84845E+06 -2.51444E-01 -2.51937E-01 4.729E-04 2.014E+01 9.231E-01 2 2 1.01085E+04 -2.51444E-01 -1.61295E-01 -7.194E-02 1.676E+01 4.696E+06 2 3 6.53210E+03 -2.51444E-01 -1.11938E-01 -1.459E-02 2.196E+00 2.280E+06 2 4 5.38371E+03 -2.51444E-01 -8.21803E-02 -5.553E-03 6.889E-01 1.278E+06 2 5 4.83261E+03 -2.51444E-01 -6.28778E-02 -2.776E-03 3.091E-01 7.927E+05 2 6 4.51590E+03 -2.51444E-01 -4.96532E-02 -1.614E-03 1.680E-01 5.280E+05 2 7 4.31381E+03 -2.51444E-01 -4.01998E-02 -1.034E-03 1.028E-01 3.706E+05 3 1 1.00050E+04 -1.60856E-01 -2.51937E-01 7.540E-03 1.738E+00 5.024E+05 3 2 2.07576E+06 -1.60856E-01 -1.61295E-01 1.877E-03 8.979E+01 2.906E+00 3 3 1.86285E+04 -1.60856E-01 -1.11938E-01 -6.900E-02 2.962E+01 1.326E+06 3 4 1.15826E+04 -1.60856E-01 -8.21803E-02 -1.559E-02 4.160E+00 7.749E+05 3 5 9.30071E+03 -1.60856E-01 -6.28778E-02 -6.304E-03 1.351E+00 4.861E+05 3 6 8.19464E+03 -1.60856E-01 -4.96532E-02 -3.274E-03 6.183E-01 3.252E+05 3 7 7.55259E+03 -1.60856E-01 -4.01998E-02 -1.957E-03 3.406E-01 2.288E+05 4 1 9.90551E+03 -1.59941E-01 -2.51937E-01 7.603E-02 1.736E+01 5.168E+06 4 2 6.73022E+05 -1.59941E-01 -1.61295E-01 1.016E-03 1.576E+01 1.496E+01 4 3 1.89835E+04 -1.59941E-01 -1.11938E-01 -6.556E-04 2.868E-01 1.213E+04 4 4 1.17189E+04 -1.59941E-01 -8.21803E-02 -1.947E-04 5.258E-02 9.457E+03 4 5 9.38839E+03 -1.59941E-01 -6.28778E-02 -8.886E-05 1.922E-02 6.724E+03 4 6 8.26263E+03 -1.59941E-01 -4.96532E-02 -4.934E-05 9.395E-03 4.821E+03 4 7 7.61031E+03 -1.59941E-01 -4.01998E-02 -3.074E-05 5.392E-03 3.540E+03 5 1 6.49518E+03 -1.11638E-01 -2.51937E-01 1.233E-03 1.845E-01 1.949E+05 5 2 1.83512E+04 -1.11638E-01 -1.61295E-01 1.095E-02 4.630E+00 2.168E+05 5 3 3.03758E+06 -1.11638E-01 -1.11938E-01 3.287E-03 2.301E+02 2.376E+00 5 4 3.09348E+04 -1.11638E-01 -8.21803E-02 -7.023E-02 5.007E+01 4.895E+05 5 5 1.86887E+04 -1.11638E-01 -6.28778E-02 -1.661E-02 7.155E+00 3.173E+05 5 6 1.47015E+04 -1.11638E-01 -4.96532E-02 -6.923E-03 2.345E+00 2.136E+05 5 7 1.27560E+04 -1.11638E-01 -4.01998E-02 -3.673E-03 1.080E+00 1.506E+05 6 1 6.46871E+03 -1.11064E-01 -2.51937E-01 1.082E-02 1.613E+00 1.724E+06 6 2 1.81415E+04 -1.11064E-01 -1.61295E-01 6.219E-02 2.600E+01 1.260E+06 6 3 1.04264E+06 -1.11064E-01 -1.11938E-01 2.114E-03 5.080E+01 1.297E+01 6 4 3.15495E+04 -1.11064E-01 -8.21803E-02 -1.464E-04 1.065E-01 9.812E+02 6 5 1.89114E+04 -1.11064E-01 -6.28778E-02 -7.771E-05 3.387E-02 1.449E+03 6 6 1.48389E+04 -1.11064E-01 -4.96532E-02 -4.433E-05 1.516E-02 1.343E+03 6 7 1.28593E+04 -1.11064E-01 -4.01998E-02 -2.779E-05 8.234E-03 1.121E+03 7 1 5.36163E+03 -8.19763E-02 -2.51937E-01 4.150E-04 5.128E-02 9.629E+04 7 2 1.14887E+04 -8.19763E-02 -1.61295E-01 2.147E-03 5.685E-01 1.085E+05 7 3 3.04144E+04 -8.19763E-02 -1.11938E-01 1.406E-02 9.853E+00 1.014E+05 7 4 4.46706E+06 -8.19763E-02 -8.21803E-02 4.600E-03 4.735E+02 1.538E+00 7 5 4.77141E+04 -8.19763E-02 -6.28778E-02 -7.276E-02 8.000E+01 2.132E+05 7 6 2.81924E+04 -8.19763E-02 -4.96532E-02 -1.760E-02 1.143E+01 1.477E+05 7 7 2.18129E+04 -8.19763E-02 -4.01998E-02 -7.453E-03 3.746E+00 1.045E+05 8 1 5.34977E+03 -8.15994E-02 -2.51937E-01 3.557E-03 4.385E-01 8.290E+05 8 2 1.14343E+04 -8.15994E-02 -1.61295E-01 1.281E-02 3.376E+00 6.536E+05 8 3 3.00366E+04 -8.15994E-02 -1.11938E-01 5.497E-02 3.805E+01 4.064E+05 8 4 1.56872E+06 -8.15994E-02 -8.21803E-02 3.230E-03 1.168E+02 8.754E+00 8 5 4.86746E+04 -8.15994E-02 -6.28778E-02 -4.514E-06 5.064E-03 1.271E+01 8 6 2.85251E+04 -8.15994E-02 -4.96532E-02 -7.403E-06 4.866E-03 6.068E+01 8 7 2.20115E+04 -8.15994E-02 -4.01998E-02 -9.444E-06 4.791E-03 1.300E+02 9 1 4.81638E+03 -6.27353E-02 -2.51937E-01 1.923E-04 2.134E-02 5.529E+04 9 2 9.24584E+03 -6.27353E-02 -1.61295E-01 7.933E-04 1.690E-01 6.189E+04 9 3 1.85207E+04 -6.27353E-02 -1.11938E-01 2.977E-03 1.271E+00 5.789E+04 9 4 4.68638E+04 -6.27353E-02 -8.21803E-02 1.729E-02 1.867E+01 5.250E+04 9 5 6.39487E+06 -6.27353E-02 -6.28778E-02 5.831E-03 8.594E+02 9.511E-01 9 6 6.96576E+04 -6.27353E-02 -4.96532E-02 -7.597E-02 1.220E+02 1.044E+05 9 7 4.04370E+04 -6.27353E-02 -4.01998E-02 -1.859E-02 1.732E+01 7.581E+04 10 1 4.80980E+03 -6.24764E-02 -2.51937E-01 1.646E-03 1.824E-01 4.745E+05 10 2 9.22162E+03 -6.24764E-02 -1.61295E-01 4.880E-03 1.037E+00 3.828E+05 10 3 1.84237E+04 -6.24764E-02 -1.11938E-01 1.308E-02 5.553E+00 2.570E+05 10 4 4.62481E+04 -6.24764E-02 -8.21803E-02 5.081E-02 5.416E+01 1.585E+05 10 5 2.27024E+06 -6.24764E-02 -6.28778E-02 4.320E-03 2.260E+02 5.591E+00 10 6 7.10639E+04 -6.24764E-02 -4.96532E-02 -2.329E-04 3.813E-01 3.075E+02 10 7 4.09069E+04 -6.24764E-02 -4.01998E-02 -1.005E-05 9.478E-03 4.007E+01 11 1 4.50261E+03 -4.95505E-02 -2.51937E-01 1.063E-04 1.103E-02 3.498E+04 11 2 8.15492E+03 -4.95505E-02 -1.61295E-01 3.881E-04 7.294E-02 3.893E+04 11 3 1.46066E+04 -4.95505E-02 -1.11938E-01 1.151E-03 3.873E-01 3.597E+04 11 4 2.79275E+04 -4.95505E-02 -8.21803E-02 3.803E-03 2.447E+00 3.252E+04 11 5 6.83760E+04 -4.95505E-02 -6.28778E-02 2.064E-02 3.253E+01 2.945E+04 11 6 8.87320E+06 -4.95505E-02 -4.96532E-02 7.006E-03 1.433E+03 5.935E-01 11 7 9.74544E+04 -4.95505E-02 -4.01998E-02 -7.959E-02 1.787E+02 5.589E+04 12 1 4.49850E+03 -4.93655E-02 -2.51937E-01 9.139E-04 9.474E-02 3.012E+05 12 2 8.14144E+03 -4.93655E-02 -1.61295E-01 2.440E-03 4.578E-01 2.455E+05 12 3 1.45634E+04 -4.93655E-02 -1.11938E-01 5.364E-03 1.800E+00 1.687E+05 12 4 2.77700E+04 -4.93655E-02 -8.21803E-02 1.297E-02 8.303E+00 1.122E+05 12 5 6.74398E+04 -4.93655E-02 -6.28778E-02 4.830E-02 7.506E+01 7.083E+04 12 6 3.16746E+06 -4.93655E-02 -4.96532E-02 5.439E-03 3.970E+02 3.616E+00 12 7 9.94214E+04 -4.93655E-02 -4.01998E-02 -7.410E-04 1.698E+00 5.000E+02 13 1 4.30222E+03 -4.01236E-02 -2.51937E-01 6.574E-05 6.518E-03 2.369E+04 13 2 7.52048E+03 -4.01236E-02 -1.61295E-01 2.226E-04 3.857E-02 2.625E+04 13 3 1.26892E+04 -4.01236E-02 -1.11938E-01 5.796E-04 1.695E-01 2.401E+04 13 4 2.16676E+04 -4.01236E-02 -8.21803E-02 1.504E-03 7.511E-01 2.137E+04 13 5 4.00483E+04 -4.01236E-02 -6.28778E-02 4.641E-03 4.284E+00 1.930E+04 13 6 9.56249E+04 -4.01236E-02 -4.96532E-02 2.413E-02 5.317E+01 1.760E+04 13 7 1.19588E+07 -4.01236E-02 -4.01998E-02 8.139E-03 2.243E+03 3.796E-01 1 4 1 1 3 0 :isi,li,ipi,isj,lj,ipj 6 7 42 : ni,nj,ntrs/i,j,wl(A),Ei(Ry),Ej(Ry),f,S,A(/s) 1 1 9.92104E+03 -1.60085E-01 -2.51937E-01 1.237E+00 2.827E+02 6.518E+07 1 2 7.53111E+05 -1.60085E-01 -1.61295E-01 2.779E-02 4.822E+02 2.541E+02 1 3 1.89268E+04 -1.60085E-01 -1.11938E-01 -9.126E-03 5.117E+00 2.185E+05 1 4 1.16972E+04 -1.60085E-01 -8.21803E-02 -1.444E-03 5.006E-01 9.053E+04 1 5 9.37448E+03 -1.60085E-01 -6.28778E-02 -4.816E-04 1.338E-01 4.699E+04 1 6 8.25185E+03 -1.60085E-01 -4.96532E-02 -2.220E-04 5.428E-02 2.796E+04 1 7 7.60116E+03 -1.60085E-01 -4.01998E-02 -1.224E-04 2.758E-02 1.817E+04 2 1 6.47469E+03 -1.11194E-01 -2.51937E-01 1.764E-01 2.632E+01 2.183E+07 2 2 1.81886E+04 -1.11194E-01 -1.61295E-01 1.060E+00 4.442E+02 1.662E+07 2 3 1.22482E+06 -1.11194E-01 -1.11938E-01 5.451E-02 1.539E+03 1.885E+02 2 4 3.14082E+04 -1.11194E-01 -8.21803E-02 -2.410E-02 2.243E+01 2.095E+05 2 5 1.88605E+04 -1.11194E-01 -6.28778E-02 -4.128E-03 2.307E+00 9.951E+04 2 6 1.48075E+04 -1.11194E-01 -4.96532E-02 -1.432E-03 6.284E-01 5.602E+04 2 7 1.28358E+04 -1.11194E-01 -4.01998E-02 -6.754E-04 2.569E-01 3.516E+04 3 1 5.35288E+03 -8.16982E-02 -2.51937E-01 5.771E-02 7.119E+00 1.045E+07 3 2 1.14485E+04 -8.16982E-02 -1.61295E-01 2.159E-01 5.695E+01 8.544E+06 3 3 3.01347E+04 -8.16982E-02 -1.11938E-01 9.726E-01 6.754E+02 5.556E+06 3 4 1.89021E+06 -8.16982E-02 -8.21803E-02 7.906E-02 3.444E+03 1.148E+02 3 5 4.84191E+04 -8.16982E-02 -6.28778E-02 -4.308E-02 6.180E+01 1.576E+05 3 6 2.84371E+04 -8.16982E-02 -4.96532E-02 -7.763E-03 6.541E+00 8.233E+04 3 7 2.19591E+04 -8.16982E-02 -4.01998E-02 -2.767E-03 1.800E+00 4.920E+04 4 1 4.81166E+03 -6.25499E-02 -2.51937E-01 2.656E-02 2.945E+00 5.951E+06 4 2 9.22848E+03 -6.25499E-02 -1.61295E-01 8.160E-02 1.735E+01 4.971E+06 4 3 1.84511E+04 -6.25499E-02 -1.11938E-01 2.270E-01 9.652E+01 3.459E+06 4 4 4.64212E+04 -6.25499E-02 -8.21803E-02 9.284E-01 9.932E+02 2.235E+06 4 5 2.77910E+06 -6.25499E-02 -6.28778E-02 1.019E-01 6.529E+03 6.847E+01 4 6 7.06589E+04 -6.25499E-02 -4.96532E-02 -6.494E-02 1.360E+02 1.115E+05 4 7 4.07724E+04 -6.25499E-02 -4.01998E-02 -1.213E-02 1.466E+01 6.259E+04 5 1 4.49972E+03 -4.94207E-02 -2.51937E-01 1.467E-02 1.521E+00 3.759E+06 5 2 8.14546E+03 -4.94207E-02 -1.61295E-01 4.056E-02 7.613E+00 3.171E+06 5 3 1.45762E+04 -4.94207E-02 -1.11938E-01 9.214E-02 3.095E+01 2.250E+06 5 4 2.78168E+04 -4.94207E-02 -8.21803E-02 2.313E-01 1.483E+02 1.551E+06 5 5 6.77165E+04 -4.94207E-02 -6.28778E-02 9.077E-01 1.417E+03 1.027E+06 5 6 3.91944E+06 -4.94207E-02 -4.96532E-02 1.237E-01 1.117E+04 4.176E+01 5 7 9.88263E+04 -4.94207E-02 -4.01998E-02 -8.897E-02 2.605E+02 7.812E+04 6 1 4.30030E+03 -4.00292E-02 -2.51937E-01 9.086E-03 9.004E-01 2.549E+06 6 2 7.51463E+03 -4.00292E-02 -1.61295E-01 2.353E-02 4.075E+00 2.161E+06 6 3 1.26725E+04 -4.00292E-02 -1.11938E-01 4.786E-02 1.398E+01 1.546E+06 6 4 2.16191E+04 -4.00292E-02 -8.21803E-02 9.769E-02 4.867E+01 1.084E+06 6 5 3.98829E+04 -4.00292E-02 -6.28778E-02 2.341E-01 2.152E+02 7.636E+05 6 6 9.46870E+04 -4.00292E-02 -4.96532E-02 9.013E-01 1.967E+03 5.215E+05 6 7 5.34155E+06 -4.00292E-02 -4.01998E-02 1.446E-01 1.780E+04 2.629E+01 1 3 1 1 4 0 :isi,li,ipi,isj,lj,ipj 13 11 143 : ni,nj,ntrs/i,j,wl(A),Ei(Ry),Ej(Ry),f,S,A(/s) 1 1 4.62713E+03 -4.47084E-01 -2.50144E-01 -9.121E-01 9.726E+01 2.210E+08 1 2 3.17560E+03 -4.47084E-01 -1.60125E-01 -1.416E-01 1.036E+01 7.285E+07 1 3 2.71312E+03 -4.47084E-01 -1.11210E-01 -4.463E-02 2.790E+00 3.145E+07 1 4 2.71225E+03 -4.47084E-01 -1.11102E-01 -3.957E-03 2.473E-01 2.791E+06 1 5 2.49404E+03 -4.47084E-01 -8.17056E-02 -2.037E-02 1.171E+00 1.699E+07 1 6 2.49347E+03 -4.47084E-01 -8.16223E-02 -2.556E-03 1.469E-01 2.132E+06 1 7 2.36982E+03 -4.47084E-01 -6.25536E-02 -1.123E-02 6.135E-01 1.038E+07 1 8 2.36943E+03 -4.47084E-01 -6.24911E-02 -1.626E-03 8.877E-02 1.502E+06 1 9 2.29157E+03 -4.47084E-01 -4.94227E-02 -6.950E-03 3.670E-01 6.866E+06 1 10 2.29129E+03 -4.47084E-01 -4.93755E-02 -1.079E-03 5.698E-02 1.066E+06 1 11 2.23869E+03 -4.47084E-01 -4.00303E-02 -4.640E-03 2.394E-01 4.803E+06 2 1 7.00971E+05 -2.51444E-01 -2.50144E-01 -1.514E-02 2.446E+02 1.599E+02 2 2 9.97894E+03 -2.51444E-01 -1.60125E-01 -7.916E-01 1.820E+02 4.124E+07 2 3 6.49819E+03 -2.51444E-01 -1.11210E-01 -1.560E-01 2.336E+01 1.917E+07 2 4 6.49319E+03 -2.51444E-01 -1.11102E-01 -1.366E-02 2.045E+00 1.681E+06 2 5 5.36866E+03 -2.51444E-01 -8.17056E-02 -5.896E-02 7.294E+00 1.061E+07 2 6 5.36602E+03 -2.51444E-01 -8.16223E-02 -7.339E-03 9.075E-01 1.322E+06 2 7 4.82432E+03 -2.51444E-01 -6.25536E-02 -2.947E-02 3.277E+00 6.569E+06 2 8 4.82272E+03 -2.51444E-01 -6.24911E-02 -4.237E-03 4.709E-01 9.451E+05 2 9 4.51075E+03 -2.51444E-01 -4.94227E-02 -1.717E-02 1.785E+00 4.378E+06 2 10 4.50969E+03 -2.51444E-01 -4.93755E-02 -2.654E-03 2.758E-01 6.771E+05 2 11 4.31035E+03 -2.51444E-01 -4.00303E-02 -1.102E-02 1.094E+00 3.076E+06 3 1 1.02059E+04 -1.60856E-01 -2.50144E-01 8.666E-03 2.620E+00 7.134E+05 3 2 1.24662E+06 -1.60856E-01 -1.60125E-01 -4.321E-02 1.241E+03 1.443E+02 3 3 1.83553E+04 -1.60856E-01 -1.11210E-01 -7.774E-01 3.288E+02 1.197E+07 3 4 1.83155E+04 -1.60856E-01 -1.11102E-01 -2.103E-08 8.876E-06 3.252E-01 3 5 1.15131E+04 -1.60856E-01 -8.17056E-02 -1.759E-01 4.666E+01 6.882E+06 3 6 1.15010E+04 -1.60856E-01 -8.16223E-02 -2.961E-03 7.849E-01 1.161E+05 3 7 9.27004E+03 -1.60856E-01 -6.25536E-02 -7.090E-02 1.515E+01 4.280E+06 3 8 9.26415E+03 -1.60856E-01 -6.24911E-02 -2.431E-03 5.191E-01 1.470E+05 3 9 8.17769E+03 -1.60856E-01 -4.94227E-02 -3.674E-02 6.924E+00 2.850E+06 3 10 8.17423E+03 -1.60856E-01 -4.93755E-02 -1.694E-03 3.192E-01 1.315E+05 3 11 7.54200E+03 -1.60856E-01 -4.00303E-02 -2.193E-02 3.811E+00 2.000E+06 4 1 1.01024E+04 -1.59941E-01 -2.50144E-01 2.407E-03 7.204E-01 2.022E+05 4 2 4.95255E+06 -1.59941E-01 -1.60125E-01 2.921E-04 4.286E+01 1.021E-01 4 3 1.86999E+04 -1.59941E-01 -1.11210E-01 -3.810E-02 1.642E+01 5.652E+05 4 4 1.86586E+04 -1.59941E-01 -1.11102E-01 -1.601E+00 6.886E+02 2.386E+07 4 5 1.16478E+04 -1.59941E-01 -8.17056E-02 -4.649E-03 1.248E+00 1.777E+05 4 6 1.16354E+04 -1.59941E-01 -8.16223E-02 -1.959E-01 5.252E+01 7.505E+06 4 7 9.35713E+03 -1.59941E-01 -6.25536E-02 -1.223E-03 2.638E-01 7.247E+04 4 8 9.35113E+03 -1.59941E-01 -6.24911E-02 -5.901E-02 1.272E+01 3.501E+06 4 9 8.24540E+03 -1.59941E-01 -4.94227E-02 -4.640E-04 8.817E-02 3.541E+04 4 10 8.24188E+03 -1.59941E-01 -4.93755E-02 -2.586E-02 4.911E+00 1.975E+06 4 11 7.59955E+03 -1.59941E-01 -4.00303E-02 -2.183E-04 3.823E-02 1.961E+04 5 1 6.57926E+03 -1.11638E-01 -2.50144E-01 1.543E-03 3.009E-01 3.057E+05 5 2 1.87940E+04 -1.11638E-01 -1.60125E-01 2.362E-02 1.315E+01 5.735E+05 5 3 2.12914E+06 -1.11638E-01 -1.11210E-01 -4.081E-02 2.003E+03 4.671E+01 5 4 1.70012E+06 -1.11638E-01 -1.11102E-01 -3.023E-03 1.184E+02 5.425E+00 5 5 3.04442E+04 -1.11638E-01 -8.17056E-02 -7.564E-01 5.307E+02 4.234E+06 5 6 3.03597E+04 -1.11638E-01 -8.16223E-02 -1.653E-03 1.156E+00 9.303E+03 5 7 1.85653E+04 -1.11638E-01 -6.25536E-02 -1.841E-01 7.878E+01 2.772E+06 5 8 1.85417E+04 -1.11638E-01 -6.24911E-02 -2.283E-03 9.754E-01 3.445E+04 5 9 1.46470E+04 -1.11638E-01 -4.94227E-02 -7.721E-02 2.606E+01 1.867E+06 5 10 1.46359E+04 -1.11638E-01 -4.93755E-02 -1.647E-03 5.556E-01 3.989E+04 5 11 1.27258E+04 -1.11638E-01 -4.00303E-02 -4.106E-02 1.204E+01 1.315E+06 6 1 6.55211E+03 -1.11064E-01 -2.50144E-01 3.742E-04 7.265E-02 7.475E+04 6 2 1.85742E+04 -1.11064E-01 -1.60125E-01 3.706E-03 2.039E+00 9.211E+04 6 3 6.24149E+06 -1.11064E-01 -1.11210E-01 2.782E-05 5.145E+00 6.125E-03 6 4 2.39820E+07 -1.11064E-01 -1.11102E-01 1.303E-03 9.261E+02 1.943E-02 6 5 3.10394E+04 -1.11064E-01 -8.17056E-02 -5.126E-02 3.666E+01 2.760E+05 6 6 3.09516E+04 -1.11064E-01 -8.16223E-02 -1.412E+00 1.007E+03 7.645E+06 6 7 1.87850E+04 -1.11064E-01 -6.25536E-02 -8.823E-03 3.819E+00 1.297E+05 6 8 1.87608E+04 -1.11064E-01 -6.24911E-02 -2.530E-01 1.094E+02 3.729E+06 6 9 1.47834E+04 -1.11064E-01 -4.94227E-02 -2.920E-03 9.948E-01 6.931E+04 6 10 1.47721E+04 -1.11064E-01 -4.93755E-02 -8.930E-02 3.040E+01 2.123E+06 6 11 1.28287E+04 -1.11064E-01 -4.00303E-02 -1.306E-03 3.860E-01 4.116E+04 7 1 5.41880E+03 -8.19763E-02 -2.50144E-01 5.533E-04 8.884E-02 1.616E+05 7 2 1.16607E+04 -8.19763E-02 -1.60125E-01 4.447E-03 1.536E+00 2.804E+05 7 3 3.11718E+04 -8.19763E-02 -1.11210E-01 4.097E-02 3.784E+01 3.615E+05 7 4 3.12874E+04 -8.19763E-02 -1.11102E-01 1.871E-03 1.735E+00 1.639E+04 7 5 3.36631E+06 -8.19763E-02 -8.17056E-02 -8.389E-02 6.508E+03 3.840E+01 7 6 2.57420E+06 -8.19763E-02 -8.16223E-02 -3.273E-04 1.942E+01 2.562E-01 7 7 4.69176E+04 -8.19763E-02 -6.25536E-02 -7.499E-01 8.108E+02 1.767E+06 7 8 4.67671E+04 -8.19763E-02 -6.24911E-02 -4.667E-03 5.030E+00 1.107E+04 7 9 2.79928E+04 -8.19763E-02 -4.94227E-02 -1.893E-01 1.221E+02 1.253E+06 7 10 2.79523E+04 -8.19763E-02 -4.93755E-02 -2.496E-03 1.608E+00 1.657E+04 7 11 2.17248E+04 -8.19763E-02 -4.00303E-02 -8.129E-02 4.070E+01 8.935E+05 8 1 5.40668E+03 -8.15994E-02 -2.50144E-01 1.246E-04 1.995E-02 3.654E+04 8 2 1.16047E+04 -8.15994E-02 -1.60125E-01 7.136E-04 2.453E-01 4.544E+04 8 3 3.07750E+04 -8.15994E-02 -1.11210E-01 2.182E-03 1.990E+00 1.976E+04 8 4 3.08877E+04 -8.15994E-02 -1.11102E-01 8.483E-03 7.764E+00 7.625E+04 8 5 8.58062E+06 -8.15994E-02 -8.17056E-02 1.404E-05 3.571E+00 1.636E-03 8 6 3.97880E+07 -8.15994E-02 -8.16223E-02 2.292E-03 2.702E+03 1.242E-02 8 7 4.78461E+04 -8.15994E-02 -6.25536E-02 -5.593E-02 6.167E+01 1.267E+05 8 8 4.76896E+04 -8.15994E-02 -6.24911E-02 -1.312E+00 1.442E+03 2.994E+06 8 9 2.83207E+04 -8.15994E-02 -4.94227E-02 -1.131E-02 7.384E+00 7.318E+04 8 10 2.82792E+04 -8.15994E-02 -4.93755E-02 -2.753E-01 1.794E+02 1.786E+06 8 11 2.19217E+04 -8.15994E-02 -4.00303E-02 -4.169E-03 2.106E+00 4.500E+04 9 1 4.86246E+03 -6.27353E-02 -2.50144E-01 2.679E-04 3.859E-02 9.716E+04 9 2 9.35691E+03 -6.27353E-02 -1.60125E-01 1.637E-03 4.537E-01 1.603E+05 9 3 1.87988E+04 -6.27353E-02 -1.11210E-01 7.957E-03 4.432E+00 1.931E+05 9 4 1.88408E+04 -6.27353E-02 -1.11102E-01 4.096E-04 2.286E-01 9.894E+03 9 5 4.80365E+04 -6.27353E-02 -8.17056E-02 6.138E-02 8.736E+01 2.281E+05 9 6 4.82484E+04 -6.27353E-02 -8.16223E-02 3.508E-03 5.015E+00 1.292E+04 9 7 5.01530E+06 -6.27353E-02 -6.25536E-02 -2.003E-01 2.315E+04 4.131E+01 9 8 3.73170E+06 -6.27353E-02 -6.24911E-02 -2.877E-05 2.474E+00 1.072E-02 9 9 6.84515E+04 -6.27353E-02 -4.94227E-02 -7.539E-01 1.189E+03 8.346E+05 9 10 6.82097E+04 -6.27353E-02 -4.93755E-02 -7.561E-03 1.189E+01 8.431E+03 9 11 4.01351E+04 -6.27353E-02 -4.00303E-02 -1.941E-01 1.796E+02 6.252E+05 10 1 4.85575E+03 -6.24764E-02 -2.50144E-01 5.750E-05 8.273E-03 2.091E+04 10 2 9.33211E+03 -6.24764E-02 -1.60125E-01 2.613E-04 7.226E-02 2.573E+04 10 3 1.86989E+04 -6.24764E-02 -1.11210E-01 5.250E-04 2.909E-01 1.288E+04 10 4 1.87405E+04 -6.24764E-02 -1.11102E-01 1.327E-03 7.366E-01 3.239E+04 10 5 4.73898E+04 -6.24764E-02 -8.17056E-02 1.152E-03 1.618E+00 4.400E+03 10 6 4.75959E+04 -6.24764E-02 -8.16223E-02 2.071E-02 2.921E+01 7.840E+04 10 7 1.18041E+07 -6.24764E-02 -6.25536E-02 1.110E-04 3.883E+01 6.834E-03 10 8 6.19910E+07 -6.24764E-02 -6.24911E-02 3.071E-03 5.641E+03 6.853E-03 10 9 6.98091E+04 -6.24764E-02 -4.94227E-02 -5.764E-02 9.273E+01 6.136E+04 10 10 6.95576E+04 -6.24764E-02 -4.93755E-02 -1.260E+00 2.020E+03 1.351E+06 10 11 4.05980E+04 -6.24764E-02 -4.00303E-02 -1.275E-02 1.193E+01 4.013E+04 11 1 4.54285E+03 -4.95505E-02 -2.50144E-01 1.528E-04 2.056E-02 6.348E+04 11 2 8.24120E+03 -4.95505E-02 -1.60125E-01 8.033E-04 1.962E-01 1.014E+05 11 3 1.47790E+04 -4.95505E-02 -1.11210E-01 2.970E-03 1.301E+00 1.166E+05 11 4 1.48050E+04 -4.95505E-02 -1.11102E-01 1.630E-04 7.150E-02 6.377E+03 11 5 2.83397E+04 -4.95505E-02 -8.17056E-02 1.222E-02 1.026E+01 1.305E+05 11 6 2.84133E+04 -4.95505E-02 -8.16223E-02 7.822E-04 6.585E-01 8.309E+03 11 7 7.00808E+04 -4.95505E-02 -6.25536E-02 8.392E-02 1.743E+02 1.465E+05 11 8 7.04192E+04 -4.95505E-02 -6.24911E-02 5.111E-03 1.066E+01 8.839E+03 11 9 7.13043E+06 -4.95505E-02 -4.94227E-02 -8.196E-02 1.347E+04 8.362E+00 11 10 5.20726E+06 -4.95505E-02 -4.93755E-02 -2.917E-04 3.501E+01 5.581E-02 11 11 9.57193E+04 -4.95505E-02 -4.00303E-02 -7.651E-01 1.688E+03 4.332E+05 12 1 4.53867E+03 -4.93655E-02 -2.50144E-01 3.176E-05 4.270E-03 1.322E+04 12 2 8.22744E+03 -4.93655E-02 -1.60125E-01 1.272E-04 3.101E-02 1.612E+04 12 3 1.47348E+04 -4.93655E-02 -1.11210E-01 2.153E-04 9.401E-02 8.505E+03 12 4 1.47606E+04 -4.93655E-02 -1.11102E-01 4.333E-04 1.895E-01 1.706E+04 12 5 2.81776E+04 -4.93655E-02 -8.17056E-02 3.393E-04 2.833E-01 3.665E+03 12 6 2.82504E+04 -4.93655E-02 -8.16223E-02 3.498E-03 2.928E+00 3.758E+04 12 7 6.90977E+04 -4.93655E-02 -6.25536E-02 5.073E-04 1.039E+00 9.112E+02 12 8 6.94267E+04 -4.93655E-02 -6.24911E-02 3.564E-02 7.332E+01 6.342E+04 12 9 1.59318E+07 -4.93655E-02 -4.94227E-02 2.537E-04 1.197E+02 8.570E-03 12 10 9.11387E+07 -4.93655E-02 -4.93755E-02 3.734E-03 1.008E+04 3.855E-03 12 11 9.76162E+04 -4.93655E-02 -4.00303E-02 -5.830E-02 1.311E+02 3.174E+04 13 1 4.33895E+03 -4.01236E-02 -2.50144E-01 9.657E-05 1.241E-02 4.399E+04 13 2 7.59380E+03 -4.01236E-02 -1.60125E-01 4.624E-04 1.040E-01 6.877E+04 13 3 1.28191E+04 -4.01236E-02 -1.11210E-01 1.470E-03 5.583E-01 7.671E+04 13 4 1.28387E+04 -4.01236E-02 -1.11102E-01 8.387E-05 3.190E-02 4.363E+03 13 5 2.19149E+04 -4.01236E-02 -8.17056E-02 4.618E-03 2.998E+00 8.245E+04 13 6 2.19589E+04 -4.01236E-02 -8.16223E-02 3.153E-04 2.052E-01 5.608E+03 13 7 4.06272E+04 -4.01236E-02 -6.25536E-02 1.703E-02 2.050E+01 8.850E+04 13 8 4.07407E+04 -4.01236E-02 -6.24911E-02 1.149E-03 1.387E+00 5.936E+03 13 9 9.79952E+04 -4.01236E-02 -4.94227E-02 1.080E-01 3.136E+02 9.646E+04 13 10 9.84951E+04 -4.01236E-02 -4.93755E-02 6.637E-03 1.937E+01 5.867E+03 13 11 9.76708E+06 -4.01236E-02 -4.00303E-02 -1.356E-01 3.051E+04 7.372E+00 1 4 1 1 4 0 :isi,li,ipi,isj,lj,ipj 6 11 66 : ni,nj,ntrs/i,j,wl(A),Ei(Ry),Ej(Ry),f,S,A(/s) 1 1 1.01186E+04 -1.60085E-01 -2.50144E-01 6.540E-02 1.961E+01 4.260E+06 1 2 2.27762E+07 -1.60085E-01 -1.60125E-01 4.619E-05 3.117E+01 5.939E-04 1 3 1.86449E+04 -1.60085E-01 -1.11210E-01 -9.091E-03 5.022E+00 1.744E+05 1 4 1.86037E+04 -1.60085E-01 -1.11102E-01 -5.819E-02 3.207E+01 1.121E+06 1 5 1.16264E+04 -1.60085E-01 -8.17056E-02 -1.489E-03 5.129E-01 7.347E+04 1 6 1.16140E+04 -1.60085E-01 -8.16223E-02 -6.697E-03 2.304E+00 3.311E+05 1 7 9.34332E+03 -1.60085E-01 -6.25536E-02 -4.969E-04 1.376E-01 3.796E+04 1 8 9.33734E+03 -1.60085E-01 -6.24911E-02 -1.943E-03 5.376E-01 1.487E+05 1 9 8.23467E+03 -1.60085E-01 -4.94227E-02 -2.282E-04 5.568E-02 2.245E+04 1 10 8.23116E+03 -1.60085E-01 -4.93755E-02 -8.313E-04 2.027E-01 8.184E+04 1 11 7.59043E+03 -1.60085E-01 -4.00303E-02 -1.253E-04 2.819E-02 1.451E+04 2 1 6.55824E+03 -1.11194E-01 -2.50144E-01 8.832E-03 1.716E+00 1.370E+06 2 2 1.86235E+04 -1.11194E-01 -1.60125E-01 5.762E-02 3.180E+01 1.108E+06 2 3 5.69405E+07 -1.11194E-01 -1.11210E-01 7.882E-05 1.330E+02 1.622E-04 2 4 9.90510E+06 -1.11194E-01 -1.11102E-01 -4.152E-05 1.219E+01 2.823E-03 2 5 3.09026E+04 -1.11194E-01 -8.17056E-02 -1.352E-02 1.238E+01 9.444E+04 2 6 3.08155E+04 -1.11194E-01 -8.16223E-02 -4.719E-02 4.309E+01 3.314E+05 2 7 1.87348E+04 -1.11194E-01 -6.25536E-02 -2.602E-03 1.444E+00 4.945E+04 2 8 1.87107E+04 -1.11194E-01 -6.24911E-02 -8.277E-03 4.588E+00 1.577E+05 2 9 1.47523E+04 -1.11194E-01 -4.94227E-02 -9.497E-04 4.151E-01 2.911E+04 2 10 1.47410E+04 -1.11194E-01 -4.93755E-02 -2.876E-03 1.256E+00 8.826E+04 2 11 1.28052E+04 -1.11194E-01 -4.00303E-02 -4.601E-04 1.746E-01 1.872E+04 3 1 5.40985E+03 -8.16982E-02 -2.50144E-01 2.813E-03 4.509E-01 6.412E+05 3 2 1.16193E+04 -8.16982E-02 -1.60125E-01 1.110E-02 3.822E+00 5.485E+05 3 3 3.08781E+04 -8.16982E-02 -1.11210E-01 5.173E-02 4.733E+01 3.619E+05 3 4 3.09915E+04 -8.16982E-02 -1.11102E-01 2.564E-03 2.355E+00 1.781E+04 3 5 1.23170E+08 -8.16982E-02 -8.17056E-02 8.896E-05 3.246E+02 3.911E-05 3 6 1.20063E+07 -8.16982E-02 -8.16223E-02 -9.202E-05 3.274E+01 4.258E-03 3 7 4.75992E+04 -8.16982E-02 -6.25536E-02 -1.681E-02 2.371E+01 4.949E+04 3 8 4.74443E+04 -8.16982E-02 -6.24911E-02 -4.074E-02 5.728E+01 1.207E+05 3 9 2.82340E+04 -8.16982E-02 -4.94227E-02 -3.504E-03 2.932E+00 2.932E+04 3 10 2.81928E+04 -8.16982E-02 -4.93755E-02 -8.570E-03 7.159E+00 7.192E+04 3 11 2.18698E+04 -8.16982E-02 -4.00303E-02 -1.340E-03 8.683E-01 1.869E+04 4 1 4.85765E+03 -6.25499E-02 -2.50144E-01 1.273E-03 1.833E-01 3.599E+05 4 2 9.33913E+03 -6.25499E-02 -1.60125E-01 4.093E-03 1.133E+00 3.130E+05 4 3 1.87272E+04 -6.25499E-02 -1.11210E-01 1.133E-02 6.289E+00 2.155E+05 4 4 1.87688E+04 -6.25499E-02 -1.11102E-01 6.362E-04 3.538E-01 1.205E+04 4 5 4.75716E+04 -6.25499E-02 -8.17056E-02 5.054E-02 7.124E+01 1.490E+05 4 6 4.77793E+04 -6.25499E-02 -8.16223E-02 2.540E-03 3.596E+00 7.421E+03 4 7 2.46093E+08 -6.25499E-02 -6.25536E-02 8.836E-05 6.442E+02 9.731E-06 4 8 1.54987E+07 -6.25499E-02 -6.24911E-02 -1.438E-04 6.602E+01 3.992E-03 4 9 6.94183E+04 -6.25499E-02 -4.94227E-02 -1.982E-02 4.077E+01 2.744E+04 4 10 6.91696E+04 -6.25499E-02 -4.93755E-02 -3.667E-02 7.515E+01 5.112E+04 4 11 4.04655E+04 -6.25499E-02 -4.00303E-02 -4.304E-03 5.161E+00 1.753E+04 5 1 4.53992E+03 -4.94207E-02 -2.50144E-01 6.961E-04 9.364E-02 2.253E+05 5 2 8.23154E+03 -4.94207E-02 -1.60125E-01 2.006E-03 4.891E-01 1.974E+05 5 3 1.47480E+04 -4.94207E-02 -1.11210E-01 4.474E-03 1.955E+00 1.372E+05 5 4 1.47738E+04 -4.94207E-02 -1.11102E-01 2.662E-04 1.165E-01 8.135E+03 5 5 2.82258E+04 -4.94207E-02 -8.17056E-02 1.174E-02 9.822E+00 9.832E+04 5 6 2.82988E+04 -4.94207E-02 -8.16223E-02 7.146E-04 5.991E-01 5.951E+03 5 7 6.93881E+04 -4.94207E-02 -6.25536E-02 5.110E-02 1.051E+02 7.079E+04 5 8 6.97199E+04 -4.94207E-02 -6.24911E-02 2.088E-03 4.313E+00 2.865E+03 5 9 4.55524E+08 -4.94207E-02 -4.94227E-02 8.291E-05 1.119E+03 2.665E-06 5 10 2.01612E+07 -4.94207E-02 -4.93755E-02 -1.960E-04 1.171E+02 3.216E-03 5 11 9.70424E+04 -4.94207E-02 -4.00303E-02 -2.273E-02 6.536E+01 1.610E+04 6 1 4.33700E+03 -4.00292E-02 -2.50144E-01 4.276E-04 5.494E-02 1.516E+05 6 2 7.58783E+03 -4.00292E-02 -1.60125E-01 1.152E-03 2.590E-01 1.335E+05 6 3 1.28021E+04 -4.00292E-02 -1.11210E-01 2.286E-03 8.669E-01 9.301E+04 6 4 1.28216E+04 -4.00292E-02 -1.11102E-01 1.407E-04 5.344E-02 5.707E+03 6 5 2.18653E+04 -4.00292E-02 -8.17056E-02 4.810E-03 3.116E+00 6.710E+04 6 6 2.19091E+04 -4.00292E-02 -8.16223E-02 3.209E-04 2.083E-01 4.459E+03 6 7 4.04569E+04 -4.00292E-02 -6.25536E-02 1.224E-02 1.468E+01 4.990E+04 6 8 4.05695E+04 -4.00292E-02 -6.24911E-02 6.483E-04 7.793E-01 2.627E+03 6 9 9.70104E+04 -4.00292E-02 -4.94227E-02 5.253E-02 1.510E+02 3.723E+04 6 10 9.75003E+04 -4.00292E-02 -4.93755E-02 1.578E-03 4.558E+00 1.107E+03 6 11 8.29208E+08 -4.00292E-02 -4.00303E-02 7.548E-05 1.854E+03 7.322E-07 1 5 1 1 4 0 :isi,li,ipi,isj,lj,ipj 6 11 66 : ni,nj,ntrs/i,j,wl(A),Ei(Ry),Ej(Ry),f,S,A(/s) 1 1 1.01088E+04 -1.59998E-01 -2.50144E-01 1.276E+00 3.820E+02 6.812E+07 1 2 7.17518E+06 -1.59998E-01 -1.60125E-01 2.904E-03 6.175E+02 3.079E-01 1 3 1.86781E+04 -1.59998E-01 -1.11210E-01 -5.916E-03 4.002E+00 1.382E+05 1 4 1.86368E+04 -1.59998E-01 -1.11102E-01 -2.243E-03 1.514E+00 5.264E+04 1 5 1.16393E+04 -1.59998E-01 -8.17056E-02 -9.025E-04 3.804E-01 5.431E+04 1 6 1.16269E+04 -1.59998E-01 -8.16223E-02 -3.696E-04 1.556E-01 2.229E+04 1 7 9.35166E+03 -1.59998E-01 -6.25536E-02 -2.919E-04 9.886E-02 2.721E+04 1 8 9.34567E+03 -1.59998E-01 -6.24911E-02 -1.257E-04 4.255E-02 1.173E+04 1 9 8.24115E+03 -1.59998E-01 -4.94227E-02 -1.330E-04 3.969E-02 1.596E+04 1 10 8.23763E+03 -1.59998E-01 -4.93755E-02 -5.829E-05 1.739E-02 7.003E+03 1 11 7.59594E+03 -1.59998E-01 -4.00303E-02 -7.271E-05 2.000E-02 1.027E+04 2 1 6.55427E+03 -1.11110E-01 -2.50144E-01 1.734E-01 3.368E+01 2.203E+07 2 2 1.85916E+04 -1.11110E-01 -1.60125E-01 1.120E+00 6.170E+02 1.768E+07 2 3 9.11252E+06 -1.11110E-01 -1.11210E-01 6.637E-03 1.792E+03 4.362E-01 2 4 1.13881E+08 -1.11110E-01 -1.11102E-01 -4.926E-05 2.032E+02 3.097E-05 2 5 3.09908E+04 -1.11110E-01 -8.17056E-02 -1.625E-02 1.823E+01 1.379E+05 2 6 3.09033E+04 -1.11110E-01 -8.16223E-02 -4.704E-03 5.264E+00 4.015E+04 2 7 1.87672E+04 -1.11110E-01 -6.25536E-02 -2.726E-03 1.853E+00 6.310E+04 2 8 1.87431E+04 -1.11110E-01 -6.24911E-02 -8.929E-04 6.061E-01 2.072E+04 2 9 1.47724E+04 -1.11110E-01 -4.94227E-02 -9.336E-04 4.995E-01 3.488E+04 2 10 1.47611E+04 -1.11110E-01 -4.93755E-02 -3.225E-04 1.724E-01 1.206E+04 2 11 1.28204E+04 -1.11110E-01 -4.00303E-02 -4.355E-04 2.022E-01 2.160E+04 3 1 5.40772E+03 -8.16316E-02 -2.50144E-01 4.720E-02 7.563E+00 8.808E+06 3 2 1.16095E+04 -8.16316E-02 -1.60125E-01 1.846E-01 6.348E+01 7.473E+06 3 3 3.08085E+04 -8.16316E-02 -1.11210E-01 5.540E-01 5.057E+02 3.185E+06 3 4 3.09214E+04 -8.16316E-02 -1.11102E-01 6.414E-01 5.877E+02 3.661E+06 3 5 1.23146E+07 -8.16316E-02 -8.17056E-02 7.406E-03 2.702E+03 2.665E-01 3 6 9.80034E+07 -8.16316E-02 -8.16223E-02 -3.898E-04 1.383E+03 3.309E-04 3 7 4.77653E+04 -8.16316E-02 -6.25536E-02 -2.196E-02 3.799E+01 7.848E+04 3 8 4.76094E+04 -8.16316E-02 -6.24911E-02 -1.158E-02 1.997E+01 4.165E+04 3 9 2.82924E+04 -8.16316E-02 -4.94227E-02 -4.026E-03 4.125E+00 4.101E+04 3 10 2.82510E+04 -8.16316E-02 -4.93755E-02 -2.079E-03 2.127E+00 2.124E+04 3 11 2.19048E+04 -8.16316E-02 -4.00303E-02 -1.435E-03 1.138E+00 2.437E+04 4 1 4.85635E+03 -6.24995E-02 -2.50144E-01 2.408E-02 3.465E+00 5.571E+06 4 2 9.33431E+03 -6.24995E-02 -1.60125E-01 7.667E-02 2.120E+01 4.802E+06 4 3 1.87078E+04 -6.24995E-02 -1.11210E-01 1.778E-01 9.854E+01 2.772E+06 4 4 1.87494E+04 -6.24995E-02 -1.11102E-01 5.453E-02 3.029E+01 8.466E+05 4 5 4.74468E+04 -6.24995E-02 -8.17056E-02 6.776E-01 9.525E+02 1.642E+06 4 6 4.76534E+04 -6.24995E-02 -8.16223E-02 3.740E-01 5.281E+02 8.988E+05 4 7 1.68445E+07 -6.24995E-02 -6.25536E-02 1.209E-02 6.033E+03 2.325E-01 4 8 1.08477E+08 -6.24995E-02 -6.24911E-02 -5.925E-04 2.328E+03 4.105E-04 4 9 6.96858E+04 -6.24995E-02 -4.94227E-02 -3.930E-02 9.918E+01 6.597E+04 4 10 6.94352E+04 -6.24995E-02 -4.93755E-02 -1.645E-02 4.135E+01 2.781E+04 4 11 4.05563E+04 -6.24995E-02 -4.00303E-02 -7.455E-03 1.095E+01 3.695E+04 5 1 4.53907E+03 -4.93833E-02 -2.50144E-01 1.362E-02 1.832E+00 3.608E+06 5 2 8.22876E+03 -4.93833E-02 -1.60125E-01 3.887E-02 9.476E+00 3.132E+06 5 3 1.47391E+04 -4.93833E-02 -1.11210E-01 8.900E-02 3.887E+01 2.236E+06 5 4 1.47648E+04 -4.93833E-02 -1.11102E-01 3.127E-03 1.368E+00 7.827E+04 5 5 2.81931E+04 -4.93833E-02 -8.17056E-02 2.320E-01 1.938E+02 1.593E+06 5 6 2.82660E+04 -4.93833E-02 -8.16223E-02 9.368E-03 7.845E+00 6.398E+04 5 7 6.91911E+04 -4.93833E-02 -6.25536E-02 9.672E-01 1.983E+03 1.103E+06 5 8 6.95210E+04 -4.93833E-02 -6.24911E-02 4.020E-02 8.281E+01 4.539E+04 5 9 2.31294E+07 -4.93833E-02 -4.94227E-02 1.929E-02 1.322E+04 1.968E-01 5 10 1.16818E+08 -4.93833E-02 -4.93755E-02 -2.721E-04 1.151E+03 1.625E-04 5 11 9.74305E+04 -4.93833E-02 -4.00303E-02 -6.640E-02 2.343E+02 5.702E+04 6 1 4.33639E+03 -3.99999E-02 -2.50144E-01 8.381E-03 1.077E+00 2.432E+06 6 2 7.58598E+03 -3.99999E-02 -1.60125E-01 2.233E-02 5.020E+00 2.118E+06 6 3 1.27969E+04 -3.99999E-02 -1.11210E-01 4.022E-02 1.525E+01 1.340E+06 6 4 1.28163E+04 -3.99999E-02 -1.11102E-01 6.932E-03 2.632E+00 2.303E+05 6 5 2.18499E+04 -3.99999E-02 -8.17056E-02 7.784E-02 5.040E+01 8.898E+05 6 6 2.18937E+04 -3.99999E-02 -8.16223E-02 2.169E-02 1.407E+01 2.469E+05 6 7 4.04043E+04 -3.99999E-02 -6.25536E-02 1.834E-01 2.196E+02 6.132E+05 6 8 4.05166E+04 -3.99999E-02 -6.24911E-02 6.436E-02 7.726E+01 2.139E+05 6 9 9.67087E+04 -3.99999E-02 -4.94227E-02 7.222E-01 2.069E+03 4.214E+05 6 10 9.71956E+04 -3.99999E-02 -4.93755E-02 2.909E-01 8.377E+02 1.680E+05 6 11 2.99738E+07 -3.99999E-02 -4.00303E-02 1.941E-02 1.724E+04 1.179E-01 1 4 1 1 5 0 :isi,li,ipi,isj,lj,ipj 6 5 30 : ni,nj,ntrs/i,j,wl(A),Ei(Ry),Ej(Ry),f,S,A(/s) 1 1 1.86079E+04 -1.60085E-01 -1.11113E-01 -1.607E+00 8.858E+02 2.532E+07 1 2 1.16159E+04 -1.60085E-01 -8.16352E-02 -1.944E-01 6.692E+01 7.864E+06 1 3 9.33842E+03 -1.60085E-01 -6.25024E-02 -5.793E-02 1.603E+01 3.625E+06 1 4 8.23185E+03 -1.60085E-01 -4.93848E-02 -2.512E-02 6.127E+00 2.023E+06 1 5 7.58863E+03 -1.60085E-01 -4.00018E-02 -1.334E-02 3.000E+00 1.265E+06 2 1 1.12498E+07 -1.11194E-01 -1.11113E-01 -3.202E-03 1.067E+03 1.381E-01 2 2 3.08290E+04 -1.11194E-01 -8.16352E-02 -1.426E+00 1.302E+03 8.185E+06 2 3 1.87151E+04 -1.11194E-01 -6.25024E-02 -2.557E-01 1.418E+02 3.983E+06 2 4 1.47432E+04 -1.11194E-01 -4.93848E-02 -8.984E-02 3.925E+01 2.256E+06 2 5 1.28001E+04 -1.11194E-01 -4.00018E-02 -4.259E-02 1.615E+01 1.419E+06 3 1 3.09799E+04 -8.16982E-02 -1.11113E-01 6.292E-03 7.059E+00 5.344E+04 3 2 1.44641E+07 -8.16982E-02 -8.16352E-02 -7.427E-03 3.183E+03 1.937E-01 3 3 4.74722E+04 -8.16982E-02 -6.25024E-02 -1.326E+00 1.864E+03 3.210E+06 3 4 2.82009E+04 -8.16982E-02 -4.93848E-02 -2.793E-01 2.334E+02 1.917E+06 3 5 2.18548E+04 -8.16982E-02 -4.00018E-02 -1.069E-01 6.924E+01 1.222E+06 4 1 1.87646E+04 -6.25499E-02 -1.11113E-01 9.045E-04 6.146E-01 2.094E+04 4 2 4.77471E+04 -6.25499E-02 -8.16352E-02 1.719E-02 2.972E+01 6.147E+04 4 3 1.91856E+07 -6.25499E-02 -6.25024E-02 -1.188E-02 6.752E+03 1.761E-01 4 4 6.92184E+04 -6.25499E-02 -4.93848E-02 -1.270E+00 2.605E+03 1.447E+06 4 5 4.04144E+04 -6.25499E-02 -4.00018E-02 -2.903E-01 3.477E+02 9.700E+05 5 1 1.47712E+04 -4.94207E-02 -1.11113E-01 2.804E-04 1.500E-01 1.048E+04 5 2 2.82875E+04 -4.94207E-02 -8.16352E-02 2.736E-03 2.803E+00 2.788E+04 5 3 6.96597E+04 -4.94207E-02 -6.25024E-02 3.157E-02 7.965E+01 5.304E+04 5 4 2.53830E+07 -4.94207E-02 -4.93848E-02 -1.631E-02 1.227E+04 1.382E-01 5 5 9.67488E+04 -4.94207E-02 -4.00018E-02 -1.239E+00 3.551E+03 7.223E+05 6 1 1.28196E+04 -4.00292E-02 -1.11113E-01 1.227E-04 5.698E-02 6.088E+03 6 2 2.19023E+04 -4.00292E-02 -8.16352E-02 8.938E-04 7.089E-01 1.519E+04 6 3 4.05491E+04 -4.00292E-02 -6.25024E-02 5.372E-03 7.888E+00 2.663E+04 6 4 9.74034E+04 -4.00292E-02 -4.93848E-02 4.865E-02 1.716E+02 4.180E+04 6 5 3.32540E+07 -4.00292E-02 -4.00018E-02 -2.064E-02 2.034E+04 1.019E-01 1 5 1 1 5 0 :isi,li,ipi,isj,lj,ipj 6 5 30 : ni,nj,ntrs/i,j,wl(A),Ei(Ry),Ej(Ry),f,S,A(/s) 1 1 1.86410E+04 -1.59998E-01 -1.11113E-01 -5.486E-02 3.704E+01 1.053E+06 1 2 1.16288E+04 -1.59998E-01 -8.16352E-02 -6.601E-03 2.780E+00 3.256E+05 1 3 9.34675E+03 -1.59998E-01 -6.25024E-02 -1.959E-03 6.631E-01 1.496E+05 1 4 8.23832E+03 -1.59998E-01 -4.93848E-02 -8.475E-04 2.528E-01 8.328E+04 1 5 7.59413E+03 -1.59998E-01 -4.00018E-02 -4.493E-04 1.236E-01 5.196E+04 2 1 3.04249E+08 -1.11110E-01 -1.11113E-01 3.673E-06 4.047E+01 2.646E-07 2 2 3.09168E+04 -1.11110E-01 -8.16352E-02 -4.885E-02 5.469E+01 3.408E+05 2 3 1.87474E+04 -1.11110E-01 -6.25024E-02 -8.695E-03 5.903E+00 1.650E+05 2 4 1.47633E+04 -1.11110E-01 -4.93848E-02 -3.044E-03 1.627E+00 9.314E+04 2 5 1.28152E+04 -1.11110E-01 -4.00018E-02 -1.439E-03 6.679E-01 5.845E+04 3 1 3.09099E+04 -8.16316E-02 -1.11113E-01 5.888E-03 6.591E+00 4.111E+04 3 2 2.53226E+08 -8.16316E-02 -8.16352E-02 6.325E-06 5.800E+01 6.579E-07 3 3 4.76375E+04 -8.16316E-02 -6.25024E-02 -3.674E-02 6.337E+01 1.080E+05 3 4 2.82591E+04 -8.16316E-02 -4.93848E-02 -7.762E-03 7.943E+00 6.483E+04 3 5 2.18898E+04 -8.16316E-02 -4.00018E-02 -2.976E-03 2.359E+00 4.143E+04 4 1 1.87451E+04 -6.24995E-02 -1.11113E-01 1.188E-04 8.066E-02 2.255E+03 4 2 4.76213E+04 -6.24995E-02 -8.16352E-02 5.183E-04 8.938E-01 1.524E+03 4 3 3.14417E+08 -6.24995E-02 -6.25024E-02 1.625E-05 1.850E+02 1.096E-06 4 4 6.94844E+04 -6.24995E-02 -4.93848E-02 -3.980E-02 1.001E+02 5.498E+04 4 5 4.05049E+04 -6.24995E-02 -4.00018E-02 -9.100E-03 1.335E+01 3.699E+04 5 1 1.47622E+04 -4.93833E-02 -1.11113E-01 7.839E-05 4.191E-02 2.399E+03 5 2 2.82547E+04 -4.93833E-02 -8.16352E-02 5.165E-04 5.285E-01 4.316E+03 5 3 6.94611E+04 -4.93833E-02 -6.25024E-02 4.174E-03 1.050E+01 5.770E+03 5 4 6.08498E+08 -4.93833E-02 -4.93848E-02 2.914E-05 6.420E+02 5.248E-07 5 5 9.71344E+04 -4.93833E-02 -4.00018E-02 -4.375E-02 1.539E+02 3.092E+04 6 1 1.28143E+04 -3.99999E-02 -1.11113E-01 1.936E-06 8.986E-04 7.865E+01 6 2 2.18869E+04 -3.99999E-02 -8.16352E-02 1.582E-06 1.254E-03 2.202E+01 6 3 4.04963E+04 -3.99999E-02 -6.25024E-02 1.825E-06 2.676E-03 7.421E+00 6 4 9.70993E+04 -3.99999E-02 -4.93848E-02 2.160E-04 7.595E-01 1.528E+02 6 5 4.79640E+08 -3.99999E-02 -4.00018E-02 3.602E-05 6.256E+02 1.044E-06 1 6 1 1 5 0 :isi,li,ipi,isj,lj,ipj 4 5 20 : ni,nj,ntrs/i,j,wl(A),Ei(Ry),Ej(Ry),f,S,A(/s) 1 1 3.09111E+04 -8.16327E-02 -1.11113E-01 1.952E+00 2.185E+03 1.153E+07 1 2 3.65099E+08 -8.16327E-02 -8.16352E-02 1.605E-04 2.123E+03 6.797E-06 1 3 4.76347E+04 -8.16327E-02 -6.25024E-02 -5.342E-03 1.089E+01 1.856E+04 1 4 2.82582E+04 -8.16327E-02 -4.93848E-02 -6.940E-04 8.393E-01 6.851E+03 1 5 2.18892E+04 -8.16327E-02 -4.00018E-02 -1.998E-04 1.871E-01 3.287E+03 2 1 1.87454E+04 -6.25001E-02 -1.11113E-01 2.109E-01 1.432E+02 3.387E+06 2 2 4.76228E+04 -6.25001E-02 -8.16352E-02 1.755E+00 3.026E+03 4.366E+06 2 3 3.95819E+08 -6.25001E-02 -6.25024E-02 4.270E-04 6.121E+03 1.538E-05 2 4 6.94812E+04 -6.25001E-02 -4.93848E-02 -1.476E-02 4.390E+01 2.410E+04 2 5 4.05038E+04 -6.25001E-02 -4.00018E-02 -2.162E-03 3.747E+00 1.039E+04 3 1 1.47621E+04 -4.93828E-02 -1.11113E-01 5.815E-02 3.109E+01 1.506E+06 3 2 2.82542E+04 -4.93828E-02 -8.16352E-02 2.895E-01 2.962E+02 2.046E+06 3 3 6.94584E+04 -4.93828E-02 -6.25024E-02 1.637E+00 4.118E+03 1.915E+06 3 4 4.55524E+08 -4.93828E-02 -4.93848E-02 7.486E-04 1.235E+04 2.036E-05 3 5 9.71397E+04 -4.93828E-02 -4.00018E-02 -2.738E-02 1.138E+02 2.287E+04 4 1 1.28144E+04 -4.00001E-02 -1.11113E-01 2.388E-02 1.108E+01 8.208E+05 4 2 2.18870E+04 -4.00001E-02 -8.16352E-02 9.600E-02 7.609E+01 1.131E+06 4 3 4.04966E+04 -4.00001E-02 -6.25024E-02 3.235E-01 4.745E+02 1.113E+06 4 4 9.71014E+04 -4.00001E-02 -4.93848E-02 1.565E+00 5.505E+03 9.370E+05 4 5 5.36439E+08 -4.00001E-02 -4.00018E-02 1.095E-03 2.128E+04 2.148E-05 1 5 1 1 6 0 :isi,li,ipi,isj,lj,ipj 6 5 30 : ni,nj,ntrs/i,j,wl(A),Ei(Ry),Ej(Ry),f,S,A(/s) 1 1 1.86403E+04 -1.59998E-01 -1.11111E-01 -1.621E+00 1.094E+03 2.633E+07 1 2 1.16284E+04 -1.59998E-01 -8.16324E-02 -1.951E-01 8.215E+01 8.143E+06 1 3 9.34651E+03 -1.59998E-01 -6.24999E-02 -3.345E-02 1.132E+01 2.161E+06 1 4 8.23815E+03 -1.59998E-01 -4.93825E-02 -2.461E-02 7.342E+00 2.046E+06 1 5 7.59402E+03 -1.59998E-01 -4.00000E-02 -4.707E-04 1.295E-01 4.607E+04 2 1 9.12748E+08 -1.11110E-01 -1.11111E-01 1.768E-05 6.905E+02 1.673E-07 2 2 3.09139E+04 -1.11110E-01 -8.16324E-02 -1.443E+00 1.615E+03 8.520E+06 2 3 1.87465E+04 -1.11110E-01 -6.24999E-02 -1.484E-01 1.007E+02 2.383E+06 2 4 1.47627E+04 -1.11110E-01 -4.93825E-02 -8.835E-02 4.723E+01 2.288E+06 2 5 1.28149E+04 -1.11110E-01 -4.00000E-02 -1.508E-03 6.999E-01 5.183E+04 3 1 3.09120E+04 -8.16316E-02 -1.11111E-01 6.429E-03 8.506E+00 5.304E+04 3 2 1.14307E+09 -8.16316E-02 -8.16324E-02 6.880E-05 3.366E+03 4.151E-07 3 3 4.76313E+04 -8.16316E-02 -6.24999E-02 -1.836E-01 3.168E+02 4.568E+05 3 4 2.82571E+04 -8.16316E-02 -4.93825E-02 -2.595E-01 2.656E+02 1.835E+06 3 5 2.18888E+04 -8.16316E-02 -4.00000E-02 -1.245E-03 9.872E-01 1.467E+04 4 1 1.87459E+04 -6.24995E-02 -1.11111E-01 9.362E-04 7.511E-01 2.100E+04 4 2 4.76283E+04 -6.24995E-02 -8.16324E-02 1.735E-02 3.536E+01 6.028E+04 4 3 2.28613E+09 -6.24995E-02 -6.24999E-02 3.441E-05 3.366E+03 5.189E-08 4 4 6.94722E+04 -6.24995E-02 -4.93825E-02 -1.305E+00 3.284E+03 1.527E+06 4 5 4.05017E+04 -6.24995E-02 -4.00000E-02 -4.625E-04 6.783E-01 1.591E+03 5 1 1.47627E+04 -4.93833E-02 -1.11111E-01 2.586E-04 1.634E-01 9.354E+03 5 2 2.82571E+04 -4.93833E-02 -8.16324E-02 2.580E-03 3.120E+00 2.547E+04 5 3 6.94743E+04 -4.93833E-02 -6.24999E-02 1.905E-02 5.663E+01 3.110E+04 5 4 1.13775E+09 -4.93833E-02 -4.93825E-02 -3.204E-04 1.320E+04 1.397E-06 5 5 9.71158E+04 -4.93833E-02 -4.00000E-02 -1.584E-01 5.569E+02 9.476E+04 6 1 1.28147E+04 -3.99999E-02 -1.11111E-01 1.248E-04 6.847E-02 5.993E+03 6 2 2.18884E+04 -3.99999E-02 -8.16324E-02 9.054E-04 8.481E-01 1.490E+04 6 3 4.05008E+04 -3.99999E-02 -6.24999E-02 2.895E-03 5.019E+00 1.391E+04 6 4 9.71231E+04 -3.99999E-02 -4.93825E-02 4.871E-02 2.025E+02 4.070E+04 6 5 9.05987E+09 -3.99999E-02 -4.00000E-02 3.017E-07 1.170E+02 2.897E-11 1 6 1 1 6 0 :isi,li,ipi,isj,lj,ipj 4 5 20 : ni,nj,ntrs/i,j,wl(A),Ei(Ry),Ej(Ry),f,S,A(/s) 1 1 3.09132E+04 -8.16327E-02 -1.11111E-01 4.719E-02 6.244E+01 3.294E+05 1 2 2.98313E+09 -8.16327E-02 -8.16324E-02 -4.096E-07 5.230E+01 3.070E-10 1 3 4.76285E+04 -8.16327E-02 -6.24999E-02 -2.292E-02 4.673E+01 6.740E+04 1 4 2.82562E+04 -8.16327E-02 -4.93825E-02 -2.230E-05 2.697E-02 1.863E+02 1 5 2.18883E+04 -8.16327E-02 -4.00000E-02 -1.188E-03 1.113E+00 1.653E+04 2 1 1.87461E+04 -6.25001E-02 -1.11111E-01 5.097E-03 4.089E+00 9.674E+04 2 2 4.76298E+04 -6.25001E-02 -8.16324E-02 4.244E-02 8.651E+01 1.248E+05 2 3 4.61540E+09 -6.25001E-02 -6.24999E-02 -9.008E-07 1.779E+02 2.820E-10 2 4 6.94691E+04 -6.25001E-02 -4.93825E-02 -5.598E-05 1.664E-01 7.736E+01 2 5 4.05006E+04 -6.25001E-02 -4.00000E-02 -6.643E-03 1.151E+01 2.701E+04 3 1 1.47626E+04 -4.93828E-02 -1.11111E-01 1.405E-03 8.879E-01 4.301E+04 3 2 2.82567E+04 -4.93828E-02 -8.16324E-02 6.997E-03 8.462E+00 5.845E+04 3 3 6.94717E+04 -4.93828E-02 -6.24999E-02 2.502E-02 7.440E+01 3.458E+04 3 4 3.05770E+09 -4.93828E-02 -4.93825E-02 -1.630E-06 2.133E+02 1.163E-09 3 5 9.71210E+04 -4.93828E-02 -4.00000E-02 -4.119E-02 1.712E+02 2.913E+04 4 1 1.28147E+04 -4.00001E-02 -1.11111E-01 5.769E-04 3.164E-01 2.343E+04 4 2 2.18885E+04 -4.00001E-02 -8.16324E-02 2.318E-03 2.172E+00 3.228E+04 4 3 4.05011E+04 -4.00001E-02 -6.24999E-02 4.845E-03 8.397E+00 1.970E+04 4 4 9.71251E+04 -4.00001E-02 -4.93825E-02 3.628E-02 1.508E+02 2.566E+04 4 5 9.05987E+09 -4.00001E-02 -4.00000E-02 -5.472E-07 2.122E+02 4.447E-11 1 7 1 1 6 0 :isi,li,ipi,isj,lj,ipj 3 5 15 : ni,nj,ntrs/i,j,wl(A),Ei(Ry),Ej(Ry),f,S,A(/s) 1 1 3.09130E+04 -8.16326E-02 -1.11111E-01 1.960E+00 2.593E+03 1.186E+07 1 2 4.52993E+09 -8.16326E-02 -8.16324E-02 -1.319E-05 2.951E+03 4.948E-09 1 3 4.76288E+04 -8.16326E-02 -6.24999E-02 -2.190E-03 5.151E+00 7.430E+03 1 4 2.82563E+04 -8.16326E-02 -4.93825E-02 -7.313E-04 1.020E+00 7.049E+03 1 5 2.18883E+04 -8.16326E-02 -4.00000E-02 -1.799E-07 1.945E-04 2.890E+00 2 1 1.87461E+04 -6.25001E-02 -1.11111E-01 2.117E-01 1.698E+02 3.482E+06 2 2 4.76298E+04 -6.25001E-02 -8.16324E-02 1.763E+00 3.594E+03 4.492E+06 2 3 4.61540E+09 -6.25001E-02 -6.24999E-02 -8.907E-06 2.030E+03 3.218E-09 2 4 6.94691E+04 -6.25001E-02 -4.93825E-02 -1.532E-02 5.256E+01 2.443E+04 2 5 4.05006E+04 -6.25001E-02 -4.00000E-02 -1.239E-05 2.479E-02 5.815E+01 3 1 1.47625E+04 -4.93826E-02 -1.11111E-01 5.835E-02 3.687E+01 1.548E+06 3 2 2.82565E+04 -4.93826E-02 -8.16324E-02 2.905E-01 3.514E+02 2.103E+06 3 3 6.94706E+04 -4.93826E-02 -6.24999E-02 9.092E-01 2.703E+03 1.089E+06 3 4 9.05987E+09 -4.93826E-02 -4.93825E-02 -5.845E-05 2.615E+04 5.480E-09 3 5 9.71231E+04 -4.93826E-02 -4.00000E-02 -2.923E-04 1.402E+00 2.385E+02 1 6 1 1 7 0 :isi,li,ipi,isj,lj,ipj 4 3 12 : ni,nj,ntrs/i,j,wl(A),Ei(Ry),Ej(Ry),f,S,A(/s) 1 1 4.76288E+04 -8.16327E-02 -6.25000E-02 -2.292E+00 4.673E+03 5.841E+06 1 2 2.82562E+04 -8.16327E-02 -4.93825E-02 -2.242E-01 2.712E+02 1.623E+06 1 3 2.18883E+04 -8.16327E-02 -4.00000E-02 -5.756E-02 5.392E+01 6.945E+05 2 1 9.40832E+09 -6.25001E-02 -6.25000E-02 -3.633E-06 1.463E+03 2.373E-10 2 2 6.94691E+04 -6.25001E-02 -4.93825E-02 -2.080E+00 6.184E+03 2.491E+06 2 3 4.05006E+04 -6.25001E-02 -4.00000E-02 -3.187E-01 5.524E+02 1.123E+06 3 1 6.94711E+04 -4.93828E-02 -6.25000E-02 4.754E-03 1.631E+01 7.581E+03 3 2 3.05770E+09 -4.93828E-02 -4.93825E-02 -1.080E-05 1.413E+03 6.677E-09 3 3 9.71210E+04 -4.93828E-02 -4.00000E-02 -1.945E+00 8.086E+03 1.192E+06 4 1 4.05009E+04 -4.00001E-02 -6.25000E-02 5.641E-04 1.128E+00 2.647E+03 4 2 9.71251E+04 -4.00001E-02 -4.93825E-02 1.325E-02 6.357E+01 1.081E+04 4 3 9.05987E+09 -4.00001E-02 -4.00000E-02 -2.048E-05 7.943E+03 1.443E-09 1 7 1 1 7 0 :isi,li,ipi,isj,lj,ipj 3 3 9 : ni,nj,ntrs/i,j,wl(A),Ei(Ry),Ej(Ry),f,S,A(/s) 1 1 4.76290E+04 -8.16326E-02 -6.25000E-02 -4.139E-02 9.734E+01 1.217E+05 1 2 2.82563E+04 -8.16326E-02 -4.93825E-02 -4.048E-03 5.648E+00 3.382E+04 1 3 2.18883E+04 -8.16326E-02 -4.00000E-02 -1.039E-03 1.123E+00 1.447E+04 2 1 9.40832E+09 -6.25001E-02 -6.25000E-02 -1.039E-08 4.829E+00 7.832E-13 2 2 6.94691E+04 -6.25001E-02 -4.93825E-02 -3.756E-02 1.288E+02 5.191E+04 2 3 4.05006E+04 -6.25001E-02 -4.00000E-02 -5.754E-03 1.151E+01 2.340E+04 3 1 6.94701E+04 -4.93826E-02 -6.25000E-02 3.611E-05 1.239E-01 4.991E+01 3 2 9.05987E+09 -4.93826E-02 -4.93825E-02 -3.037E-08 1.359E+01 2.468E-12 3 3 9.71231E+04 -4.93826E-02 -4.00000E-02 -3.505E-02 1.681E+02 2.478E+04 1 8 1 1 7 0 :isi,li,ipi,isj,lj,ipj 1 3 3 : ni,nj,ntrs/i,j,wl(A),Ei(Ry),Ej(Ry),f,S,A(/s) 1 1 6.94711E+04 -4.93828E-02 -6.25000E-02 2.631E+00 9.025E+03 3.208E+06 1 2 3.05770E+09 -4.93828E-02 -4.93825E-02 -3.652E-08 6.249E+00 2.952E-11 1 3 9.71210E+04 -4.93828E-02 -4.00000E-02 -4.283E-03 2.328E+01 3.432E+03 1 7 1 1 8 0 :isi,li,ipi,isj,lj,ipj 3 2 6 : ni,nj,ntrs/i,j,wl(A),Ei(Ry),Ej(Ry),f,S,A(/s) 1 1 4.76295E+04 -8.16326E-02 -6.25002E-02 -2.298E+00 5.405E+03 5.961E+06 1 2 2.82566E+04 -8.16326E-02 -4.93829E-02 -2.248E-01 3.137E+02 1.657E+06 2 1 8.73630E+09 -6.25001E-02 -6.25002E-02 4.926E-07 2.409E+02 4.879E-11 2 2 6.94712E+04 -6.25001E-02 -4.93829E-02 -2.086E+00 7.156E+03 2.544E+06 3 1 6.94690E+04 -4.93826E-02 -6.25002E-02 4.883E-03 1.898E+01 7.648E+03 3 2 3.05770E+09 -4.93826E-02 -4.93829E-02 1.445E-06 2.473E+02 1.169E-09 1 8 1 1 8 0 :isi,li,ipi,isj,lj,ipj 1 2 2 : ni,nj,ntrs/i,j,wl(A),Ei(Ry),Ej(Ry),f,S,A(/s) 1 1 6.94701E+04 -4.93828E-02 -6.25002E-02 3.684E-02 1.432E+02 5.092E+04 1 2 9.05987E+09 -4.93828E-02 -4.93829E-02 1.178E-10 5.974E-02 9.574E-15 1 9 1 1 8 0 :isi,li,ipi,isj,lj,ipj 1 2 2 : ni,nj,ntrs/i,j,wl(A),Ei(Ry),Ej(Ry),f,S,A(/s) 1 1 6.94696E+04 -4.93827E-02 -6.25002E-02 2.635E+00 1.025E+04 3.259E+06 1 2 4.61540E+09 -4.93827E-02 -4.93829E-02 8.318E-09 2.148E+00 2.330E-12 3 1 1 3 0 0 :isi,li,ipi,isj,lj,ipj 18 8 144 : ni,nj,ntrs/i,j,wl(A),Ei(Ry),Ej(Ry),f,S,A(/s) 1 1 1.69725E+03 -1.16980E+00 -6.32891E-01 -1.173E-02 5.900E-01 8.150E+07 1 2 1.07480E+03 -1.16980E+00 -3.21949E-01 -1.400E-03 4.458E-02 2.425E+07 1 3 9.34673E+02 -1.16980E+00 -1.94842E-01 -4.894E-04 1.355E-02 1.121E+07 1 4 8.76906E+02 -1.16980E+00 -1.30616E-01 -2.382E-04 6.189E-03 6.199E+06 1 5 8.46783E+02 -1.16980E+00 -9.36476E-02 -1.362E-04 3.418E-03 3.801E+06 1 6 8.28894E+02 -1.16980E+00 -7.04234E-02 -8.596E-05 2.111E-03 2.503E+06 1 7 8.17340E+02 -1.16980E+00 -5.48822E-02 -5.793E-05 1.403E-03 1.735E+06 1 8 8.09420E+02 -1.16980E+00 -4.39724E-02 -4.100E-05 9.833E-04 1.252E+06 2 1 5.01391E+03 -8.14639E-01 -6.32891E-01 -8.232E-02 1.223E+01 6.552E+07 2 2 1.84958E+03 -8.14639E-01 -3.21949E-01 -2.454E-03 1.345E-01 1.436E+07 2 3 1.47027E+03 -8.14639E-01 -1.94842E-01 -1.463E-03 6.375E-02 1.355E+07 2 4 1.33222E+03 -8.14639E-01 -1.30616E-01 -8.428E-04 3.327E-02 9.502E+06 2 5 1.26391E+03 -8.14639E-01 -9.36476E-02 -5.224E-04 1.956E-02 6.544E+06 2 6 1.22447E+03 -8.14639E-01 -7.04234E-02 -3.449E-04 1.251E-02 4.603E+06 2 7 1.19942E+03 -8.14639E-01 -5.48822E-02 -2.392E-04 8.501E-03 3.327E+06 2 8 1.18244E+03 -8.14639E-01 -4.39724E-02 -1.726E-04 6.045E-03 2.469E+06 3 1 5.02020E+03 -4.51371E-01 -6.32891E-01 8.820E-01 4.373E+01 7.781E+07 3 2 7.04105E+03 -4.51371E-01 -3.21949E-01 -1.071E-01 2.235E+01 4.324E+07 3 3 3.55230E+03 -4.51371E-01 -1.94842E-01 -8.604E-03 9.056E-01 1.364E+07 3 4 2.84101E+03 -4.51371E-01 -1.30616E-01 -2.682E-03 2.258E-01 6.649E+06 3 5 2.54741E+03 -4.51371E-01 -9.36476E-02 -1.236E-03 9.326E-02 3.810E+06 3 6 2.39211E+03 -4.51371E-01 -7.04234E-02 -6.870E-04 4.869E-02 2.402E+06 3 7 2.29834E+03 -4.51371E-01 -5.48822E-02 -4.271E-04 2.909E-02 1.618E+06 3 8 2.23679E+03 -4.51371E-01 -4.39724E-02 -2.859E-04 1.895E-02 1.143E+06 4 1 3.65297E+03 -3.83432E-01 -6.32891E-01 7.517E-02 2.712E+00 1.252E+07 4 2 1.48214E+04 -3.83432E-01 -3.21949E-01 -1.177E-01 5.167E+01 1.072E+07 4 3 4.83200E+03 -3.83432E-01 -1.94842E-01 -1.150E-03 1.646E-01 9.856E+05 4 4 3.60447E+03 -3.83432E-01 -1.30616E-01 -8.614E-04 9.200E-02 1.327E+06 4 5 3.14464E+03 -3.83432E-01 -9.36476E-02 -5.288E-04 4.927E-02 1.070E+06 4 6 2.91132E+03 -3.83432E-01 -7.04234E-02 -3.397E-04 2.930E-02 8.019E+05 4 7 2.77360E+03 -3.83432E-01 -5.48822E-02 -2.300E-04 1.890E-02 5.982E+05 4 8 2.68446E+03 -3.83432E-01 -4.39724E-02 -1.628E-04 1.295E-02 4.520E+05 5 1 2.41324E+03 -2.55279E-01 -6.32891E-01 8.160E-03 1.945E-01 3.115E+06 5 2 1.36683E+04 -2.55279E-01 -3.21949E-01 1.296E+00 1.750E+02 1.542E+07 5 3 1.50780E+04 -2.55279E-01 -1.94842E-01 -1.950E-01 8.712E+01 1.716E+07 5 4 7.30984E+03 -2.55279E-01 -1.30616E-01 -1.749E-02 3.788E+00 6.549E+06 5 5 5.63793E+03 -2.55279E-01 -9.36476E-02 -5.623E-03 9.394E-01 3.540E+06 5 6 4.92962E+03 -2.55279E-01 -7.04234E-02 -2.642E-03 3.859E-01 2.176E+06 5 7 4.54731E+03 -2.55279E-01 -5.48822E-02 -1.492E-03 2.011E-01 1.444E+06 5 8 4.31253E+03 -2.55279E-01 -4.39724E-02 -9.398E-04 1.201E-01 1.011E+06 6 1 2.22434E+03 -2.23211E-01 -6.32891E-01 1.499E-02 3.294E-01 6.737E+06 6 2 9.22914E+03 -2.23211E-01 -3.21949E-01 1.545E-01 1.408E+01 4.032E+06 6 3 3.21219E+04 -2.23211E-01 -1.94842E-01 -1.541E-01 1.467E+02 2.989E+06 6 4 9.84143E+03 -2.23211E-01 -1.30616E-01 -6.003E-04 1.751E-01 1.240E+05 6 5 7.03337E+03 -2.23211E-01 -9.36476E-02 -6.153E-04 1.282E-01 2.489E+05 6 6 5.96427E+03 -2.23211E-01 -7.04234E-02 -4.107E-04 7.257E-02 2.310E+05 6 7 5.41361E+03 -2.23211E-01 -5.48822E-02 -2.761E-04 4.429E-02 1.885E+05 6 8 5.08410E+03 -2.23211E-01 -4.39724E-02 -1.930E-04 2.907E-02 1.494E+05 7 1 1.94025E+03 -1.63226E-01 -6.32891E-01 1.068E-02 2.046E-01 6.305E+06 7 2 5.74124E+03 -1.63226E-01 -3.21949E-01 1.122E-05 6.360E-04 7.566E+02 7 3 2.88230E+04 -1.63226E-01 -1.94842E-01 1.637E+00 4.659E+02 4.380E+06 7 4 2.79444E+04 -1.63226E-01 -1.30616E-01 -2.806E-01 2.323E+02 7.189E+06 7 5 1.30970E+04 -1.63226E-01 -9.36476E-02 -2.604E-02 1.011E+01 3.038E+06 7 6 9.81941E+03 -1.63226E-01 -7.04234E-02 -8.466E-03 2.463E+00 1.757E+06 7 7 8.41088E+03 -1.63226E-01 -5.48822E-02 -4.008E-03 9.988E-01 1.134E+06 7 8 7.64142E+03 -1.63226E-01 -4.39724E-02 -2.280E-03 5.162E-01 7.813E+05 8 1 1.87173E+03 -1.46032E-01 -6.32891E-01 6.037E-03 1.116E-01 3.831E+06 8 2 5.18010E+03 -1.46032E-01 -3.21949E-01 2.473E-02 1.265E+00 2.049E+06 8 3 1.86697E+04 -1.46032E-01 -1.94842E-01 2.422E-01 4.466E+01 1.545E+06 8 4 5.91117E+04 -1.46032E-01 -1.30616E-01 -1.919E-01 3.361E+02 1.099E+06 8 5 1.73958E+04 -1.46032E-01 -9.36476E-02 -2.931E-04 1.511E-01 1.938E+04 8 6 1.20524E+04 -1.46032E-01 -7.04234E-02 -4.521E-04 1.614E-01 6.228E+04 8 7 9.99747E+03 -1.46032E-01 -5.48822E-02 -3.283E-04 9.726E-02 6.573E+04 8 8 8.92877E+03 -1.46032E-01 -4.39724E-02 -2.304E-04 6.096E-02 5.784E+04 9 1 1.75352E+03 -1.13212E-01 -6.32891E-01 7.563E-03 1.310E-01 5.469E+06 9 2 4.36562E+03 -1.13212E-01 -3.21949E-01 3.054E-03 1.317E-01 3.563E+05 9 3 1.11634E+04 -1.13212E-01 -1.94842E-01 1.784E-03 1.967E-01 3.182E+04 9 4 5.23596E+04 -1.13212E-01 -1.30616E-01 1.935E+00 1.001E+03 1.569E+06 9 5 4.65778E+04 -1.13212E-01 -9.36476E-02 -3.598E-01 4.965E+02 3.318E+06 9 6 2.12970E+04 -1.13212E-01 -7.04234E-02 -3.412E-02 2.153E+01 1.505E+06 9 7 1.56227E+04 -1.13212E-01 -5.48822E-02 -1.116E-02 5.164E+00 9.146E+05 9 8 1.31611E+04 -1.13212E-01 -4.39724E-02 -5.307E-03 2.069E+00 6.130E+05 10 1 1.71970E+03 -1.02993E-01 -6.32891E-01 3.158E-03 5.364E-02 2.374E+06 10 2 4.16187E+03 -1.02993E-01 -3.21949E-01 9.697E-03 3.986E-01 1.245E+06 10 3 9.92136E+03 -1.02993E-01 -1.94842E-01 3.643E-02 3.570E+00 8.229E+05 10 4 3.29894E+04 -1.02993E-01 -1.30616E-01 3.453E-01 1.125E+02 7.055E+05 10 5 9.75097E+04 -1.02993E-01 -9.36476E-02 -2.350E-01 6.789E+02 4.945E+05 10 6 2.79791E+04 -1.02993E-01 -7.04234E-02 -9.323E-05 7.729E-02 2.383E+03 10 7 1.89410E+04 -1.02993E-01 -5.48822E-02 -3.098E-04 1.738E-01 1.728E+04 10 8 1.54398E+04 -1.02993E-01 -4.39724E-02 -2.506E-04 1.146E-01 2.103E+04 11 1 1.65765E+03 -8.31557E-02 -6.32891E-01 5.350E-03 8.759E-02 4.329E+06 11 2 3.81613E+03 -8.31557E-02 -3.21949E-01 3.487E-03 1.314E-01 5.323E+05 11 3 8.15917E+03 -8.31557E-02 -1.94842E-01 1.034E-03 8.335E-02 3.454E+04 11 4 1.92006E+04 -8.31557E-02 -1.30616E-01 4.127E-03 7.825E-01 2.489E+04 11 5 8.68543E+04 -8.31557E-02 -9.36476E-02 2.169E+00 1.860E+03 6.392E+05 11 6 7.15713E+04 -8.31557E-02 -7.04234E-02 -4.224E-01 8.958E+02 1.650E+06 11 7 3.22304E+04 -8.31557E-02 -5.48822E-02 -4.116E-02 3.930E+01 7.927E+05 11 8 2.32565E+04 -8.31557E-02 -4.39724E-02 -1.353E-02 9.325E+00 5.007E+05 12 1 1.63808E+03 -7.65905E-02 -6.32891E-01 1.909E-03 3.088E-02 1.582E+06 12 2 3.71402E+03 -7.65905E-02 -3.21949E-01 5.303E-03 1.945E-01 8.548E+05 12 3 7.70618E+03 -7.65905E-02 -1.94842E-01 1.461E-02 1.112E+00 5.468E+05 12 4 1.68674E+04 -7.65905E-02 -1.30616E-01 5.203E-02 8.668E+00 4.066E+05 12 5 5.34245E+04 -7.65905E-02 -9.36476E-02 4.903E-01 2.587E+02 3.819E+05 12 6 1.47763E+05 -7.65905E-02 -7.04234E-02 -2.937E-01 1.286E+03 2.691E+05 12 7 4.19778E+04 -7.65905E-02 -5.48822E-02 -7.126E-07 8.863E-04 8.091E+00 12 8 2.79375E+04 -7.65905E-02 -4.39724E-02 -1.504E-04 1.245E-01 3.857E+03 13 1 1.60145E+03 -6.38644E-02 -6.32891E-01 4.203E-03 6.648E-02 3.644E+06 13 2 3.53089E+03 -6.38644E-02 -3.21949E-01 3.780E-03 1.318E-01 6.741E+05 13 3 6.95743E+03 -6.38644E-02 -1.94842E-01 2.939E-03 2.020E-01 1.350E+05 13 4 1.36516E+04 -6.38644E-02 -1.30616E-01 1.273E-03 1.717E-01 1.519E+04 13 5 3.05967E+04 -6.38644E-02 -9.36476E-02 2.007E-03 6.066E-01 4.767E+03 13 6 1.38934E+05 -6.38644E-02 -7.04234E-02 2.161E+00 2.965E+03 2.489E+05 13 7 1.01453E+05 -6.38644E-02 -5.48822E-02 -4.196E-01 1.261E+03 8.156E+05 13 8 4.58107E+04 -6.38644E-02 -4.39724E-02 -4.387E-02 5.954E+01 4.183E+05 14 1 1.58891E+03 -5.93754E-02 -6.32891E-01 1.233E-03 1.934E-02 1.086E+06 14 2 3.47052E+03 -5.93754E-02 -3.21949E-01 3.753E-03 1.286E-01 6.928E+05 14 3 6.72688E+03 -5.93754E-02 -1.94842E-01 9.143E-03 6.075E-01 4.492E+05 14 4 1.27914E+04 -5.93754E-02 -1.30616E-01 2.392E-02 3.021E+00 3.250E+05 14 5 2.65891E+04 -5.93754E-02 -9.36476E-02 8.407E-02 2.208E+01 2.644E+05 14 6 8.24825E+04 -5.93754E-02 -7.04234E-02 8.370E-01 6.818E+02 2.735E+05 14 7 2.02810E+05 -5.93754E-02 -5.48822E-02 -4.224E-01 2.539E+03 2.055E+05 14 8 5.91617E+04 -5.93754E-02 -4.39724E-02 -8.257E-04 1.447E+00 4.720E+03 15 1 1.56937E+03 -5.22324E-02 -6.32891E-01 2.721E-03 4.217E-02 2.456E+06 15 2 3.37861E+03 -5.22324E-02 -3.21949E-01 5.247E-03 1.751E-01 1.022E+06 15 3 6.38994E+03 -5.22324E-02 -1.94842E-01 7.553E-03 4.767E-01 4.113E+05 15 4 1.16257E+04 -5.22324E-02 -1.30616E-01 1.142E-02 1.312E+00 1.879E+05 15 5 2.20032E+04 -5.22324E-02 -9.36476E-02 1.935E-02 4.205E+00 8.886E+04 15 6 5.00944E+04 -5.22324E-02 -7.04234E-02 3.910E-02 1.934E+01 3.464E+04 15 7 3.43900E+05 -5.22324E-02 -5.48822E-02 4.647E-01 1.578E+03 8.735E+03 15 8 1.10323E+05 -5.22324E-02 -4.39724E-02 -6.089E-02 1.990E+02 1.001E+05 16 1 1.55960E+03 -4.85953E-02 -6.32891E-01 1.124E-05 1.731E-04 1.027E+04 16 2 3.33366E+03 -4.85953E-02 -3.21949E-01 6.943E-04 2.286E-02 1.389E+05 16 3 6.23103E+03 -4.85953E-02 -1.94842E-01 3.018E-03 1.857E-01 1.728E+05 16 4 1.11102E+04 -4.85953E-02 -1.30616E-01 9.420E-03 1.034E+00 1.697E+05 16 5 2.02269E+04 -4.85953E-02 -9.36476E-02 3.066E-02 6.126E+00 1.666E+05 16 6 4.17474E+04 -4.85953E-02 -7.04234E-02 1.432E-01 5.903E+01 1.826E+05 16 7 1.44947E+05 -4.85953E-02 -5.48822E-02 3.006E+00 4.303E+03 3.181E+05 16 8 1.97120E+05 -4.85953E-02 -4.39724E-02 -9.157E-01 5.348E+03 4.715E+05 17 1 1.55266E+03 -4.59826E-02 -6.32891E-01 1.671E-04 2.562E-03 1.541E+05 17 2 3.30209E+03 -4.59826E-02 -3.21949E-01 4.507E-05 1.470E-03 9.189E+03 17 3 6.12166E+03 -4.59826E-02 -1.94842E-01 7.753E-05 4.688E-03 4.600E+03 17 4 1.07672E+04 -4.59826E-02 -1.30616E-01 1.835E-04 1.951E-02 3.518E+03 17 5 1.91182E+04 -4.59826E-02 -9.36476E-02 5.020E-04 9.479E-02 3.054E+03 17 6 3.72847E+04 -4.59826E-02 -7.04234E-02 1.768E-03 6.510E-01 2.828E+03 17 7 1.02394E+05 -4.59826E-02 -5.48822E-02 1.319E-02 1.334E+01 2.796E+03 17 8 4.53322E+05 -4.59826E-02 -4.39724E-02 -3.779E-02 5.076E+02 3.679E+03 18 1 1.53725E+03 -4.01022E-02 -6.32891E-01 9.433E-04 1.432E-02 8.875E+05 18 2 3.23320E+03 -4.01022E-02 -3.21949E-01 2.547E-04 8.134E-03 5.418E+04 18 3 5.88903E+03 -4.01022E-02 -1.94842E-01 8.157E-06 4.744E-04 5.229E+02 18 4 1.00677E+04 -4.01022E-02 -1.30616E-01 2.095E-04 2.083E-02 4.595E+03 18 5 1.70186E+04 -4.01022E-02 -9.36476E-02 1.819E-03 3.057E-01 1.396E+04 18 6 3.00538E+04 -4.01022E-02 -7.04234E-02 1.006E-02 2.985E+00 2.475E+04 18 7 6.16554E+04 -4.01022E-02 -5.48822E-02 7.467E-02 4.547E+01 4.367E+04 18 8 2.35457E+05 -4.01022E-02 -4.39724E-02 3.730E+00 8.674E+03 1.496E+05 3 0 1 3 1 0 :isi,li,ipi,isj,lj,ipj 9 11 99 : ni,nj,ntrs/i,j,wl(A),Ei(Ry),Ej(Ry),f,S,A(/s) 1 1 6.33097E+02 -7.37680E-01 -2.17706E+00 2.272E-01 4.262E+00 1.134E+10 1 2 7.62566E+03 -7.37680E-01 -6.18180E-01 -2.233E-04 1.682E-02 8.536E+03 1 3 2.19751E+03 -7.37680E-01 -3.22998E-01 -6.667E-03 1.447E-01 3.069E+06 1 4 1.83757E+03 -7.37680E-01 -2.41771E-01 -7.877E-02 1.429E+00 5.186E+07 1 5 1.65495E+03 -7.37680E-01 -1.87050E-01 -2.837E-02 4.638E-01 2.303E+07 1 6 1.57845E+03 -7.37680E-01 -1.60364E-01 -6.010E-02 9.369E-01 5.363E+07 1 7 1.49001E+03 -7.37680E-01 -1.26094E-01 -1.702E-05 2.505E-04 1.704E+04 1 8 1.41008E+03 -7.37680E-01 -9.14280E-02 -3.653E-05 5.088E-04 4.085E+04 1 9 1.36299E+03 -7.37680E-01 -6.91018E-02 -3.093E-05 4.164E-04 3.702E+04 1 10 1.33292E+03 -7.37680E-01 -5.40199E-02 -2.091E-05 2.753E-04 2.617E+04 1 11 1.31249E+03 -7.37680E-01 -4.33752E-02 -1.407E-05 1.823E-04 1.815E+04 2 1 4.47619E+02 -1.41252E-01 -2.17706E+00 2.788E-03 3.697E-02 2.784E+08 2 2 1.91070E+03 -1.41252E-01 -6.18180E-01 4.496E-03 2.545E-01 2.464E+07 2 3 5.01396E+03 -1.41252E-01 -3.22998E-01 9.241E-03 1.373E+00 7.355E+06 2 4 9.06562E+03 -1.41252E-01 -2.41771E-01 2.688E-02 7.220E+00 6.544E+06 2 5 1.98975E+04 -1.41252E-01 -1.87050E-01 7.807E-06 4.602E-03 3.946E+02 2 6 4.76803E+04 -1.41252E-01 -1.60364E-01 7.950E-03 1.123E+01 6.997E+04 2 7 6.01179E+04 -1.41252E-01 -1.26094E-01 -1.483E-03 8.807E-01 9.125E+02 2 8 1.82897E+04 -1.41252E-01 -9.14280E-02 -1.254E-03 2.265E-01 8.334E+03 2 9 1.26301E+04 -1.41252E-01 -6.91018E-02 -8.393E-04 1.047E-01 1.170E+04 2 10 1.04465E+04 -1.41252E-01 -5.40199E-02 -5.797E-04 5.981E-02 1.181E+04 2 11 9.31035E+03 -1.41252E-01 -4.33752E-02 -4.157E-04 3.822E-02 1.066E+04 3 1 3.85093E+02 1.89294E-01 -2.17706E+00 2.050E-03 2.339E-02 2.766E+08 3 2 1.12854E+03 1.89294E-01 -6.18180E-01 3.136E-04 1.048E-02 4.926E+06 3 3 1.77880E+03 1.89294E-01 -3.22998E-01 5.251E-04 2.768E-02 3.321E+06 3 4 2.11399E+03 1.89294E-01 -2.41771E-01 1.333E-02 8.351E-01 5.970E+07 3 5 2.42137E+03 1.89294E-01 -1.87050E-01 1.414E-03 1.015E-01 4.827E+06 3 6 2.60617E+03 1.89294E-01 -1.60364E-01 6.977E-03 5.387E-01 2.055E+07 3 7 2.88935E+03 1.89294E-01 -1.26094E-01 2.093E-03 1.792E-01 5.017E+06 3 8 3.24616E+03 1.89294E-01 -9.14280E-02 8.997E-04 8.653E-02 1.708E+06 3 9 3.52663E+03 1.89294E-01 -6.91018E-02 5.378E-04 5.619E-02 8.652E+05 3 10 3.74523E+03 1.89294E-01 -5.40199E-02 3.609E-04 4.005E-02 5.148E+05 3 11 3.91658E+03 1.89294E-01 -4.33752E-02 2.577E-04 2.990E-02 3.361E+05 4 1 3.64750E+02 3.21271E-01 -2.17706E+00 1.039E-03 1.123E-02 1.563E+08 4 2 9.70000E+02 3.21271E-01 -6.18180E-01 1.117E-04 3.209E-03 2.375E+06 4 3 1.41442E+03 3.21271E-01 -3.22998E-01 2.902E-04 1.216E-02 2.903E+06 4 4 1.61847E+03 3.21271E-01 -2.41771E-01 5.261E-03 2.523E-01 4.019E+07 4 5 1.79270E+03 3.21271E-01 -1.87050E-01 5.281E-04 2.805E-02 3.288E+06 4 6 1.89203E+03 3.21271E-01 -1.60364E-01 1.601E-03 8.976E-02 8.950E+06 4 7 2.03697E+03 3.21271E-01 -1.26094E-01 5.042E-04 3.043E-02 2.432E+06 4 8 2.20807E+03 3.21271E-01 -9.14280E-02 1.916E-04 1.253E-02 7.862E+05 4 9 2.33435E+03 3.21271E-01 -6.91018E-02 1.031E-04 7.131E-03 3.786E+05 4 10 2.42816E+03 3.21271E-01 -5.40199E-02 6.370E-05 4.583E-03 2.162E+05 4 11 2.49904E+03 3.21271E-01 -4.33752E-02 4.261E-05 3.155E-03 1.365E+05 5 1 3.55319E+02 3.87585E-01 -2.17706E+00 5.800E-04 6.106E-03 9.192E+07 5 2 9.06044E+02 3.87585E-01 -6.18180E-01 5.926E-05 1.591E-03 1.444E+06 5 3 1.28242E+03 3.87585E-01 -3.22998E-01 1.644E-04 6.248E-03 2.001E+06 5 4 1.44794E+03 3.87585E-01 -2.41771E-01 2.672E-03 1.146E-01 2.550E+07 5 5 1.58582E+03 3.87585E-01 -1.87050E-01 2.669E-04 1.254E-02 2.124E+06 5 6 1.66305E+03 3.87585E-01 -1.60364E-01 6.371E-04 3.139E-02 4.609E+06 5 7 1.77400E+03 3.87585E-01 -1.26094E-01 2.120E-04 1.114E-02 1.348E+06 5 8 1.90238E+03 3.87585E-01 -9.14280E-02 7.761E-05 4.375E-03 4.291E+05 5 9 1.99539E+03 3.87585E-01 -6.91018E-02 4.043E-05 2.390E-03 2.032E+05 5 10 2.06353E+03 3.87585E-01 -5.40199E-02 2.434E-05 1.488E-03 1.144E+05 5 11 2.11450E+03 3.87585E-01 -4.33752E-02 1.597E-05 1.000E-03 7.146E+04 6 1 3.50131E+02 4.25589E-01 -2.17706E+00 3.534E-04 3.667E-03 5.769E+07 6 2 8.73054E+02 4.25589E-01 -6.18180E-01 3.680E-05 9.519E-04 9.661E+05 6 3 1.21732E+03 4.25589E-01 -3.22998E-01 1.012E-04 3.649E-03 1.366E+06 6 4 1.36548E+03 4.25589E-01 -2.41771E-01 1.560E-03 6.311E-02 1.674E+07 6 5 1.48745E+03 4.25589E-01 -1.87050E-01 1.560E-04 6.875E-03 1.411E+06 6 6 1.55519E+03 4.25589E-01 -1.60364E-01 3.242E-04 1.494E-02 2.682E+06 6 7 1.65179E+03 4.25589E-01 -1.26094E-01 1.122E-04 5.492E-03 8.230E+05 6 8 1.76255E+03 4.25589E-01 -9.14280E-02 4.039E-05 2.109E-03 2.601E+05 6 9 1.84209E+03 4.25589E-01 -6.91018E-02 2.072E-05 1.131E-03 1.222E+05 6 10 1.90002E+03 4.25589E-01 -5.40199E-02 1.232E-05 6.937E-04 6.830E+04 6 11 1.94315E+03 4.25589E-01 -4.33752E-02 8.004E-06 4.608E-04 4.242E+04 7 1 3.46959E+02 4.49382E-01 -2.17706E+00 2.306E-04 2.370E-03 3.832E+07 7 2 8.53596E+02 4.49382E-01 -6.18180E-01 2.481E-05 6.275E-04 6.814E+05 7 3 1.17982E+03 4.49382E-01 -3.22998E-01 6.650E-05 2.325E-03 9.559E+05 7 4 1.31847E+03 4.49382E-01 -2.41771E-01 9.949E-04 3.887E-02 1.145E+07 7 5 1.43184E+03 4.49382E-01 -1.87050E-01 9.961E-05 4.226E-03 9.722E+05 7 6 1.49450E+03 4.49382E-01 -1.60364E-01 1.898E-04 8.403E-03 1.700E+06 7 7 1.58350E+03 4.49382E-01 -1.26094E-01 6.748E-05 3.166E-03 5.385E+05 7 8 1.68500E+03 4.49382E-01 -9.14280E-02 2.407E-05 1.202E-03 1.696E+05 7 9 1.75756E+03 4.49382E-01 -6.91018E-02 1.224E-05 6.376E-04 7.931E+04 7 10 1.81022E+03 4.49382E-01 -5.40199E-02 7.231E-06 3.878E-04 4.415E+04 7 11 1.84932E+03 4.49382E-01 -4.33752E-02 4.670E-06 2.559E-04 2.732E+04 8 1 3.44874E+02 4.65260E-01 -2.17706E+00 1.586E-04 1.620E-03 2.667E+07 8 2 8.41087E+02 4.65260E-01 -6.18180E-01 1.762E-05 4.392E-04 4.984E+05 8 3 1.15605E+03 4.65260E-01 -3.22998E-01 4.599E-05 1.575E-03 6.885E+05 8 4 1.28886E+03 4.65260E-01 -2.41771E-01 6.750E-04 2.578E-02 8.131E+06 8 5 1.39698E+03 4.65260E-01 -1.87050E-01 6.766E-05 2.800E-03 6.937E+05 8 6 1.45657E+03 4.65260E-01 -1.60364E-01 1.216E-04 5.246E-03 1.146E+06 8 7 1.54098E+03 4.65260E-01 -1.26094E-01 4.407E-05 2.012E-03 3.713E+05 8 8 1.63694E+03 4.65260E-01 -9.14280E-02 1.563E-05 7.582E-04 1.167E+05 8 9 1.70534E+03 4.65260E-01 -6.91018E-02 7.904E-06 3.994E-04 5.439E+04 8 10 1.75487E+03 4.65260E-01 -5.40199E-02 4.649E-06 2.417E-04 3.021E+04 8 11 1.79159E+03 4.65260E-01 -4.33752E-02 2.992E-06 1.588E-04 1.865E+04 9 1 3.43428E+02 4.76382E-01 -2.17706E+00 1.136E-04 1.155E-03 1.927E+07 9 2 8.32540E+02 4.76382E-01 -6.18180E-01 1.298E-05 3.201E-04 3.747E+05 9 3 1.13997E+03 4.76382E-01 -3.22998E-01 3.311E-05 1.118E-03 5.098E+05 9 4 1.26890E+03 4.76382E-01 -2.41771E-01 4.794E-04 1.803E-02 5.958E+06 9 5 1.37357E+03 4.76382E-01 -1.87050E-01 4.811E-05 1.958E-03 5.103E+05 9 6 1.43113E+03 4.76382E-01 -1.60364E-01 8.299E-05 3.519E-03 8.108E+05 9 7 1.51254E+03 4.76382E-01 -1.26094E-01 3.050E-05 1.367E-03 2.668E+05 9 8 1.60488E+03 4.76382E-01 -9.14280E-02 1.078E-05 5.124E-04 8.371E+04 9 9 1.67057E+03 4.76382E-01 -6.91018E-02 5.429E-06 2.687E-04 3.892E+04 9 10 1.71807E+03 4.76382E-01 -5.40199E-02 3.183E-06 1.620E-04 2.158E+04 9 11 1.75326E+03 4.76382E-01 -4.33752E-02 2.044E-06 1.062E-04 1.331E+04 3 1 1 3 1 0 :isi,li,ipi,isj,lj,ipj 18 11 198 : ni,nj,ntrs/i,j,wl(A),Ei(Ry),Ej(Ry),f,S,A(/s) 1 1 9.04699E+02 -1.16980E+00 -2.17706E+00 1.621E-01 4.345E+00 1.321E+09 1 2 1.65198E+03 -1.16980E+00 -6.18180E-01 -1.084E-03 5.305E-02 2.649E+06 1 3 1.07613E+03 -1.16980E+00 -3.22998E-01 -4.030E-03 1.285E-01 2.321E+07 1 4 9.81938E+02 -1.16980E+00 -2.41771E-01 -1.986E-02 5.777E-01 1.374E+08 1 5 9.27262E+02 -1.16980E+00 -1.87050E-01 -4.980E-04 1.368E-02 3.863E+06 1 6 9.02749E+02 -1.16980E+00 -1.60364E-01 -6.304E-02 1.686E+00 5.160E+08 1 7 8.73107E+02 -1.16980E+00 -1.26094E-01 -3.060E-03 7.916E-02 2.677E+07 1 8 8.45040E+02 -1.16980E+00 -9.14280E-02 -5.593E-04 1.400E-02 5.224E+06 1 9 8.27899E+02 -1.16980E+00 -6.91018E-02 -2.033E-04 4.988E-03 1.979E+06 1 10 8.16708E+02 -1.16980E+00 -5.40199E-02 -9.689E-05 2.345E-03 9.688E+05 1 11 8.08991E+02 -1.16980E+00 -4.33752E-02 -5.386E-05 1.291E-03 5.489E+05 2 1 6.68859E+02 -8.14639E-01 -2.17706E+00 7.714E-02 1.529E+00 1.150E+09 2 2 4.63846E+03 -8.14639E-01 -6.18180E-01 -3.296E-01 4.529E+01 1.022E+08 2 3 1.85352E+03 -8.14639E-01 -3.22998E-01 -5.108E-03 2.805E-01 9.916E+06 2 4 1.59071E+03 -8.14639E-01 -2.41771E-01 -6.059E-03 2.856E-01 1.597E+07 2 5 1.45201E+03 -8.14639E-01 -1.87050E-01 -3.654E-04 1.572E-02 1.156E+06 2 6 1.39279E+03 -8.14639E-01 -1.60364E-01 -4.701E-04 1.940E-02 1.616E+06 2 7 1.32347E+03 -8.14639E-01 -1.26094E-01 -3.981E-04 1.561E-02 1.516E+06 2 8 1.26003E+03 -8.14639E-01 -9.14280E-02 -4.160E-04 1.553E-02 1.748E+06 2 9 1.22230E+03 -8.14639E-01 -6.91018E-02 -3.246E-04 1.175E-02 1.449E+06 2 10 1.19806E+03 -8.14639E-01 -5.40199E-02 -2.450E-04 8.697E-03 1.138E+06 2 11 1.18152E+03 -8.14639E-01 -4.33752E-02 -1.860E-04 6.511E-03 8.887E+05 3 1 5.28060E+02 -4.51371E-01 -2.17706E+00 1.032E-01 1.615E+00 2.468E+09 3 2 5.46294E+03 -4.51371E-01 -6.18180E-01 1.347E-01 2.180E+01 3.010E+07 3 3 7.09859E+03 -4.51371E-01 -3.22998E-01 -2.784E-02 5.856E+00 3.686E+06 3 4 4.34765E+03 -4.51371E-01 -2.41771E-01 -3.253E-04 4.191E-02 1.148E+05 3 5 3.44758E+03 -4.51371E-01 -1.87050E-01 -1.871E-03 1.911E-01 1.050E+06 3 6 3.13143E+03 -4.51371E-01 -1.60364E-01 -5.500E-05 5.103E-03 3.741E+04 3 7 2.80151E+03 -4.51371E-01 -1.26094E-01 -6.560E-04 5.445E-02 5.575E+05 3 8 2.53170E+03 -4.51371E-01 -9.14280E-02 -3.723E-04 2.793E-02 3.875E+05 3 9 2.38384E+03 -4.51371E-01 -6.91018E-02 -2.228E-04 1.573E-02 2.615E+05 3 10 2.29335E+03 -4.51371E-01 -5.40199E-02 -1.440E-04 9.785E-03 1.826E+05 3 11 2.23352E+03 -4.51371E-01 -4.33752E-02 -9.883E-05 6.541E-03 1.321E+05 4 1 5.08058E+02 -3.83432E-01 -2.17706E+00 1.055E-02 1.587E-01 2.725E+08 4 2 3.88190E+03 -3.83432E-01 -6.18180E-01 2.071E-01 2.382E+01 9.167E+07 4 3 1.50787E+04 -3.83432E-01 -3.22998E-01 -4.193E-01 1.873E+02 1.230E+07 4 4 6.43273E+03 -3.83432E-01 -2.41771E-01 -8.370E-02 1.595E+01 1.349E+07 4 5 4.64028E+03 -3.83432E-01 -1.87050E-01 -1.848E-03 2.540E-01 5.724E+05 4 6 4.08515E+03 -3.83432E-01 -1.60364E-01 -6.132E-03 7.422E-01 2.451E+06 4 7 3.54113E+03 -3.83432E-01 -1.26094E-01 -1.058E-04 1.110E-02 5.627E+04 4 8 3.12073E+03 -3.83432E-01 -9.14280E-02 -3.222E-05 2.979E-03 2.207E+04 4 9 2.89908E+03 -3.83432E-01 -6.91018E-02 -7.460E-05 6.408E-03 5.920E+04 4 10 2.76634E+03 -3.83432E-01 -5.40199E-02 -7.882E-05 6.461E-03 6.870E+04 4 11 2.67975E+03 -3.83432E-01 -4.33752E-02 -7.029E-05 5.581E-03 6.528E+04 5 1 4.74178E+02 -2.55279E-01 -2.17706E+00 4.343E-02 6.102E-01 1.288E+09 5 2 2.51106E+03 -2.55279E-01 -6.18180E-01 9.108E-03 6.776E-01 9.634E+06 5 3 1.34566E+04 -2.55279E-01 -3.22998E-01 2.071E-01 8.258E+01 7.629E+06 5 4 6.74613E+04 -2.55279E-01 -2.41771E-01 -1.413E-02 2.825E+01 2.071E+04 5 5 1.33560E+04 -2.55279E-01 -1.87050E-01 -4.563E-02 1.806E+01 1.706E+06 5 6 9.60088E+03 -2.55279E-01 -1.60364E-01 -1.377E-04 3.916E-02 9.961E+03 5 7 7.05397E+03 -2.55279E-01 -1.26094E-01 -6.156E-03 1.287E+00 8.251E+05 5 8 5.56156E+03 -2.55279E-01 -9.14280E-02 -2.253E-03 3.713E-01 4.859E+05 5 9 4.89462E+03 -2.55279E-01 -6.91018E-02 -1.099E-03 1.594E-01 3.061E+05 5 10 4.52783E+03 -2.55279E-01 -5.40199E-02 -6.320E-04 8.479E-02 2.056E+05 5 11 4.30038E+03 -2.55279E-01 -4.33752E-02 -4.021E-04 5.124E-02 1.450E+05 6 1 4.66396E+02 -2.23211E-01 -2.17706E+00 3.672E-03 5.075E-02 1.126E+08 6 2 2.30719E+03 -2.23211E-01 -6.18180E-01 2.390E-02 1.634E+00 2.995E+07 6 3 9.13212E+03 -2.23211E-01 -3.22998E-01 2.498E-01 6.758E+01 1.998E+07 6 4 4.90985E+04 -2.23211E-01 -2.41771E-01 8.399E-02 1.222E+02 2.324E+05 6 5 2.52003E+04 -2.23211E-01 -1.87050E-01 -6.038E-01 4.508E+02 6.341E+06 6 6 1.44998E+04 -2.23211E-01 -1.60364E-01 -5.859E-02 2.517E+01 1.859E+06 6 7 9.38319E+03 -2.23211E-01 -1.26094E-01 -5.941E-03 1.652E+00 4.501E+05 6 8 6.91491E+03 -2.23211E-01 -9.14280E-02 -1.744E-04 3.574E-02 2.433E+04 6 9 5.91313E+03 -2.23211E-01 -6.91018E-02 -1.646E-08 2.883E-06 3.139E+00 6 10 5.38602E+03 -2.23211E-01 -5.40199E-02 -1.607E-05 2.564E-03 3.694E+03 6 11 5.06722E+03 -2.23211E-01 -4.33752E-02 -2.676E-05 4.017E-03 6.950E+03 7 1 4.52504E+02 -1.63226E-01 -2.17706E+00 2.199E-02 2.948E-01 7.163E+08 7 2 2.00299E+03 -1.63226E-01 -6.18180E-01 6.860E-03 4.071E-01 1.140E+07 7 3 5.70355E+03 -1.63226E-01 -3.22998E-01 4.737E-04 8.005E-02 9.712E+04 7 4 1.16018E+04 -1.63226E-01 -2.41771E-01 4.566E-02 1.569E+01 2.262E+06 7 5 3.82500E+04 -1.63226E-01 -1.87050E-01 2.200E-01 2.493E+02 1.003E+06 7 6 3.18403E+05 -1.63226E-01 -1.60364E-01 -3.854E-03 3.636E+01 2.536E+02 7 7 2.45413E+04 -1.63226E-01 -1.26094E-01 -8.884E-02 6.460E+01 9.839E+05 7 8 1.26921E+04 -1.63226E-01 -9.14280E-02 -1.169E-02 4.396E+00 4.840E+05 7 9 9.68154E+03 -1.63226E-01 -6.91018E-02 -4.023E-03 1.154E+00 2.863E+05 7 10 8.34447E+03 -1.63226E-01 -5.40199E-02 -1.942E-03 4.802E-01 1.860E+05 7 11 7.60335E+03 -1.63226E-01 -4.33752E-02 -1.113E-03 2.508E-01 1.284E+05 8 1 4.48673E+02 -1.46032E-01 -2.17706E+00 1.632E-03 2.170E-02 5.408E+07 8 2 1.93005E+03 -1.46032E-01 -6.18180E-01 7.619E-03 4.357E-01 1.364E+07 8 3 5.14939E+03 -1.46032E-01 -3.22998E-01 3.080E-02 4.699E+00 7.747E+06 8 4 9.51824E+03 -1.46032E-01 -2.41771E-01 4.583E-04 1.293E-01 3.374E+04 8 5 2.22163E+04 -1.46032E-01 -1.87050E-01 4.346E-01 2.860E+02 5.872E+06 8 6 6.35827E+04 -1.46032E-01 -1.60364E-01 5.950E-02 1.121E+02 9.816E+04 8 7 4.57050E+04 -1.46032E-01 -1.26094E-01 -8.421E-01 1.140E+03 2.689E+06 8 8 1.66886E+04 -1.46032E-01 -9.14280E-02 -5.963E-03 2.949E+00 1.428E+05 8 9 1.18454E+04 -1.46032E-01 -6.91018E-02 -3.382E-04 1.187E-01 1.608E+04 8 10 9.90377E+03 -1.46032E-01 -5.40199E-02 -1.806E-05 5.298E-03 1.228E+03 8 11 8.87683E+03 -1.46032E-01 -4.33752E-02 -3.150E-07 8.285E-05 2.666E+01 9 1 4.41538E+02 -1.13212E-01 -2.17706E+00 1.304E-02 1.707E-01 4.463E+08 9 2 1.80460E+03 -1.13212E-01 -6.18180E-01 4.622E-03 2.471E-01 9.467E+06 9 3 4.34379E+03 -1.13212E-01 -3.22998E-01 1.929E-03 2.483E-01 6.818E+05 9 4 7.08832E+03 -1.13212E-01 -2.41771E-01 5.014E-03 1.053E+00 6.657E+05 9 5 1.23414E+04 -1.13212E-01 -1.87050E-01 3.513E-03 1.285E+00 1.539E+05 9 6 1.93262E+04 -1.13212E-01 -1.60364E-01 1.830E-02 1.048E+01 3.268E+05 9 7 7.07396E+04 -1.13212E-01 -1.26094E-01 3.084E-01 6.465E+02 4.111E+05 9 8 4.18319E+04 -1.13212E-01 -9.14280E-02 -1.438E-01 1.782E+02 5.480E+05 9 9 2.06589E+04 -1.13212E-01 -6.91018E-02 -1.752E-02 1.073E+01 2.738E+05 9 10 1.53951E+04 -1.13212E-01 -5.40199E-02 -5.984E-03 2.730E+00 1.684E+05 9 11 1.30485E+04 -1.13212E-01 -4.33752E-02 -2.886E-03 1.116E+00 1.130E+05 10 1 4.39362E+02 -1.02993E-01 -2.17706E+00 7.851E-04 1.022E-02 2.713E+07 10 2 1.76881E+03 -1.02993E-01 -6.18180E-01 3.188E-03 1.671E-01 6.796E+06 10 3 4.14203E+03 -1.02993E-01 -3.22998E-01 9.204E-03 1.130E+00 3.578E+06 10 4 6.56637E+03 -1.02993E-01 -2.41771E-01 2.263E-05 4.403E-03 3.501E+03 10 5 1.08411E+04 -1.02993E-01 -1.87050E-01 4.413E-02 1.418E+01 2.505E+06 10 6 1.58838E+04 -1.02993E-01 -1.60364E-01 9.194E-06 4.327E-03 2.431E+02 10 7 3.94471E+04 -1.02993E-01 -1.26094E-01 6.213E-01 7.262E+02 2.663E+06 10 8 7.87952E+04 -1.02993E-01 -9.14280E-02 -9.879E-01 2.306E+03 1.061E+06 10 9 2.68880E+04 -1.02993E-01 -6.91018E-02 -7.288E-03 5.806E+00 6.723E+04 10 10 1.86075E+04 -1.02993E-01 -5.40199E-02 -5.772E-04 3.182E-01 1.112E+04 10 11 1.52852E+04 -1.02993E-01 -4.33752E-02 -7.019E-05 3.179E-02 2.004E+03 11 1 4.35200E+02 -8.31557E-02 -2.17706E+00 8.946E-03 1.153E-01 3.150E+08 11 2 1.70323E+03 -8.31557E-02 -6.18180E-01 3.637E-03 1.835E-01 8.361E+06 11 3 3.79944E+03 -8.31557E-02 -3.22998E-01 2.539E-03 2.858E-01 1.173E+06 11 4 5.74514E+03 -8.31557E-02 -2.41771E-01 2.134E-04 3.633E-02 4.313E+04 11 5 8.77110E+03 -8.31557E-02 -1.87050E-01 2.430E-03 6.315E-01 2.107E+05 11 6 1.18027E+04 -8.31557E-02 -1.60364E-01 3.427E-03 1.198E+00 1.641E+05 11 7 2.12227E+04 -8.31557E-02 -1.26094E-01 3.696E-03 2.324E+00 5.473E+04 11 8 1.10159E+05 -8.31557E-02 -9.14280E-02 4.041E-01 1.319E+03 2.221E+05 11 9 6.48409E+04 -8.31557E-02 -6.91018E-02 -2.037E-01 3.913E+02 3.231E+05 11 10 3.12765E+04 -8.31557E-02 -5.40199E-02 -2.457E-02 2.277E+01 1.675E+05 11 11 2.29074E+04 -8.31557E-02 -4.33752E-02 -8.373E-03 5.683E+00 1.064E+05 12 1 4.33840E+02 -7.65905E-02 -2.17706E+00 3.333E-04 4.285E-03 1.181E+07 12 2 1.68258E+03 -7.65905E-02 -6.18180E-01 1.301E-03 6.486E-02 3.065E+06 12 3 3.69821E+03 -7.65905E-02 -3.22998E-01 2.950E-03 3.232E-01 1.439E+06 12 4 5.51680E+03 -7.65905E-02 -2.41771E-01 9.121E-04 1.491E-01 1.999E+05 12 5 8.24979E+03 -7.65905E-02 -1.87050E-01 1.570E-02 3.838E+00 1.539E+06 12 6 1.08777E+04 -7.65905E-02 -1.60364E-01 3.148E-05 1.015E-02 1.774E+03 12 7 1.84081E+04 -7.65905E-02 -1.26094E-01 5.804E-02 3.166E+01 1.142E+06 12 8 6.14165E+04 -7.65905E-02 -9.14280E-02 7.119E-01 1.295E+03 1.259E+06 12 9 1.21686E+05 -7.65905E-02 -6.91018E-02 -1.097E+00 3.957E+03 4.943E+05 12 10 4.03741E+04 -7.65905E-02 -5.40199E-02 -9.356E-03 1.119E+01 3.828E+04 12 11 2.74352E+04 -7.65905E-02 -4.33752E-02 -9.467E-04 7.695E-01 8.389E+03 13 1 4.31227E+02 -6.38644E-02 -2.17706E+00 7.713E-03 9.855E-02 2.767E+08 13 2 1.64395E+03 -6.38644E-02 -6.18180E-01 4.147E-03 2.020E-01 1.023E+07 13 3 3.51659E+03 -6.38644E-02 -3.22998E-01 4.878E-03 5.082E-01 2.631E+06 13 4 5.12217E+03 -6.38644E-02 -2.41771E-01 2.768E-03 4.201E-01 7.036E+05 13 5 7.39751E+03 -6.38644E-02 -1.87050E-01 8.212E-04 1.800E-01 1.001E+05 13 6 9.44322E+03 -6.38644E-02 -1.60364E-01 6.201E-04 1.735E-01 4.638E+04 13 7 1.46436E+04 -6.38644E-02 -1.26094E-01 3.182E-03 1.381E+00 9.898E+04 13 8 3.30605E+04 -6.38644E-02 -9.14280E-02 2.361E-03 2.313E+00 1.441E+04 13 9 1.73992E+05 -6.38644E-02 -6.91018E-02 5.154E-01 2.657E+03 1.136E+05 13 10 9.25661E+04 -6.38644E-02 -5.40199E-02 -2.891E-01 7.929E+02 2.250E+05 13 11 4.44755E+04 -6.38644E-02 -4.33752E-02 -3.590E-02 4.731E+01 1.211E+05 14 1 4.30313E+02 -5.93754E-02 -2.17706E+00 2.752E-05 3.509E-04 9.914E+05 14 2 1.63074E+03 -5.93754E-02 -6.18180E-01 1.421E-04 6.866E-03 3.564E+05 14 3 3.45671E+03 -5.93754E-02 -3.22998E-01 8.699E-05 8.909E-03 4.856E+04 14 4 4.99610E+03 -5.93754E-02 -2.41771E-01 7.867E-03 1.165E+00 2.102E+06 14 5 7.13742E+03 -5.93754E-02 -1.87050E-01 9.332E-03 1.974E+00 1.222E+06 14 6 9.02346E+03 -5.93754E-02 -1.60364E-01 3.343E-04 8.939E-02 2.739E+04 14 7 1.36584E+04 -5.93754E-02 -1.26094E-01 1.783E-02 7.217E+00 6.376E+05 14 8 2.84304E+04 -5.93754E-02 -9.14280E-02 5.923E-02 4.990E+01 4.888E+05 14 9 9.36901E+04 -5.93754E-02 -6.91018E-02 6.973E-01 1.936E+03 5.299E+05 14 10 1.70155E+05 -5.93754E-02 -5.40199E-02 -1.070E+00 5.397E+03 2.466E+05 14 11 5.69535E+04 -5.93754E-02 -4.33752E-02 -1.300E-02 2.194E+01 2.673E+04 15 1 4.28866E+02 -5.22324E-02 -2.17706E+00 1.086E-02 1.380E-01 3.938E+08 15 2 1.61016E+03 -5.22324E-02 -6.18180E-01 1.267E-02 6.043E-01 3.259E+07 15 3 3.36552E+03 -5.22324E-02 -3.22998E-01 3.011E-02 3.003E+00 1.773E+07 15 4 4.80782E+03 -5.22324E-02 -2.41771E-01 8.764E-02 1.249E+01 2.529E+07 15 5 6.75926E+03 -5.22324E-02 -1.87050E-01 4.483E-04 8.979E-02 6.545E+04 15 6 8.42739E+03 -5.22324E-02 -1.60364E-01 1.598E-03 3.990E-01 1.501E+05 15 7 1.23375E+04 -5.22324E-02 -1.26094E-01 2.422E-03 8.854E-01 1.061E+05 15 8 2.32492E+04 -5.22324E-02 -9.14280E-02 1.129E-02 7.776E+00 1.393E+05 15 9 5.40189E+04 -5.22324E-02 -6.91018E-02 3.963E-02 6.343E+01 9.059E+04 15 10 5.09800E+05 -5.22324E-02 -5.40199E-02 3.627E-01 5.478E+03 9.307E+03 15 11 1.02884E+05 -5.22324E-02 -4.33752E-02 -2.566E-01 7.821E+02 1.617E+05 16 1 4.28134E+02 -4.85953E-02 -2.17706E+00 6.578E-06 8.344E-05 2.394E+05 16 2 1.59988E+03 -4.85953E-02 -6.18180E-01 8.630E-04 4.091E-02 2.249E+06 16 3 3.32091E+03 -4.85953E-02 -3.22998E-01 5.930E-03 5.835E-01 3.586E+06 16 4 4.71730E+03 -4.85953E-02 -2.41771E-01 5.566E-02 7.779E+00 1.668E+07 16 5 6.58170E+03 -4.85953E-02 -1.87050E-01 6.907E-03 1.347E+00 1.063E+06 16 6 8.15315E+03 -4.85953E-02 -1.60364E-01 3.623E-03 8.753E-01 3.636E+05 16 7 1.17585E+04 -4.85953E-02 -1.26094E-01 3.584E-03 1.249E+00 1.729E+05 16 8 2.12750E+04 -4.85953E-02 -9.14280E-02 2.226E-03 1.403E+00 3.280E+04 16 9 4.44380E+04 -4.85953E-02 -6.91018E-02 1.987E-03 2.616E+00 6.710E+03 16 10 1.67988E+05 -4.85953E-02 -5.40199E-02 5.049E-05 2.513E-01 1.193E+01 16 11 1.74569E+05 -4.85953E-02 -4.33752E-02 -2.433E-02 1.259E+02 5.326E+03 17 1 4.27609E+02 -4.59826E-02 -2.17706E+00 2.880E-03 3.649E-02 1.051E+08 17 2 1.59257E+03 -4.59826E-02 -6.18180E-01 6.746E-03 3.183E-01 1.774E+07 17 3 3.28959E+03 -4.59826E-02 -3.22998E-01 1.921E-02 1.872E+00 1.184E+07 17 4 4.65435E+03 -4.59826E-02 -2.41771E-01 4.487E-02 6.187E+00 1.381E+07 17 5 6.45980E+03 -4.59826E-02 -1.87050E-01 3.447E-04 6.597E-02 5.509E+04 17 6 7.96692E+03 -4.59826E-02 -1.60364E-01 1.838E-03 4.338E-01 1.931E+05 17 7 1.13750E+04 -4.59826E-02 -1.26094E-01 7.418E-03 2.500E+00 3.824E+05 17 8 2.00519E+04 -4.59826E-02 -9.14280E-02 2.861E-02 1.700E+01 4.746E+05 17 9 3.94160E+04 -4.59826E-02 -6.91018E-02 1.059E-01 1.236E+02 4.545E+05 17 10 1.13380E+05 -4.59826E-02 -5.40199E-02 9.387E-01 3.153E+03 4.870E+05 17 11 3.49493E+05 -4.59826E-02 -4.33752E-02 -1.308E+00 1.354E+04 7.141E+04 18 1 4.26432E+02 -4.01022E-02 -2.17706E+00 9.194E-04 1.162E-02 3.372E+07 18 2 1.57637E+03 -4.01022E-02 -6.18180E-01 2.578E-05 1.204E-03 6.919E+04 18 3 3.22121E+03 -4.01022E-02 -3.22998E-01 4.016E-04 3.833E-02 2.581E+05 18 4 4.51863E+03 -4.01022E-02 -2.41771E-01 1.131E-02 1.514E+00 3.695E+06 18 5 6.20130E+03 -4.01022E-02 -1.87050E-01 2.284E-03 4.197E-01 3.962E+05 18 6 7.57736E+03 -4.01022E-02 -1.60364E-01 1.482E-03 3.328E-01 1.722E+05 18 7 1.05971E+04 -4.01022E-02 -1.26094E-01 1.651E-03 5.184E-01 9.807E+04 18 8 1.77546E+04 -4.01022E-02 -9.14280E-02 9.312E-04 4.899E-01 1.970E+04 18 9 3.14234E+04 -4.01022E-02 -6.91018E-02 4.307E-04 4.010E-01 2.909E+03 18 10 6.54754E+04 -4.01022E-02 -5.40199E-02 1.430E-04 2.774E-01 2.225E+02 18 11 2.78419E+05 -4.01022E-02 -4.33752E-02 3.156E-01 2.603E+03 2.715E+04 3 2 1 3 1 0 :isi,li,ipi,isj,lj,ipj 10 11 110 : ni,nj,ntrs/i,j,wl(A),Ei(Ry),Ej(Ry),f,S,A(/s) 1 1 1.08117E+03 -1.33421E+00 -2.17706E+00 1.084E-01 3.472E+00 3.710E+08 1 2 1.27267E+03 -1.33421E+00 -6.18180E-01 -9.373E-03 5.891E-01 6.433E+07 1 3 9.01163E+02 -1.33421E+00 -3.22998E-01 -1.979E-02 8.805E-01 2.709E+08 1 4 8.34158E+02 -1.33421E+00 -2.41771E-01 -1.115E-01 4.594E+00 1.782E+09 1 5 7.94368E+02 -1.33421E+00 -1.87050E-01 -2.358E-02 9.250E-01 4.154E+08 1 6 7.76309E+02 -1.33421E+00 -1.60364E-01 -4.430E-02 1.698E+00 8.171E+08 1 7 7.54288E+02 -1.33421E+00 -1.26094E-01 -1.049E-04 3.909E-03 2.050E+06 1 8 7.33248E+02 -1.33421E+00 -9.14280E-02 -7.127E-06 2.581E-04 1.473E+05 1 9 7.20308E+02 -1.33421E+00 -6.91018E-02 -6.501E-06 2.312E-04 1.393E+05 1 10 7.11822E+02 -1.33421E+00 -5.40199E-02 -6.820E-06 2.397E-04 1.496E+05 1 11 7.05952E+02 -1.33421E+00 -4.33752E-02 -6.583E-06 2.295E-04 1.468E+05 2 1 5.32104E+02 -4.64488E-01 -2.17706E+00 2.998E-01 4.726E+00 4.237E+09 2 2 5.92918E+03 -4.64488E-01 -6.18180E-01 4.927E-01 8.655E+01 5.608E+07 2 3 6.44050E+03 -4.64488E-01 -3.22998E-01 -9.567E-02 3.043E+01 2.564E+07 2 4 4.09159E+03 -4.64488E-01 -2.41771E-01 -1.100E-04 2.223E-02 7.304E+04 2 5 3.28458E+03 -4.64488E-01 -1.87050E-01 -7.233E-03 1.173E+00 7.453E+06 2 6 2.99637E+03 -4.64488E-01 -1.60364E-01 -2.355E-06 3.485E-04 2.916E+03 2 7 2.69292E+03 -4.64488E-01 -1.26094E-01 -2.676E-03 3.559E-01 4.102E+06 2 8 2.44268E+03 -4.64488E-01 -9.14280E-02 -1.414E-03 1.706E-01 2.634E+06 2 9 2.30475E+03 -4.64488E-01 -6.91018E-02 -8.240E-04 9.378E-02 1.724E+06 2 10 2.22007E+03 -4.64488E-01 -5.40199E-02 -5.255E-04 5.761E-02 1.185E+06 2 11 2.16395E+03 -4.64488E-01 -4.33752E-02 -3.575E-04 3.820E-02 8.486E+05 3 1 4.75026E+02 -2.58706E-01 -2.17706E+00 1.184E-01 1.667E+00 2.101E+09 3 2 2.53500E+03 -2.58706E-01 -6.18180E-01 3.546E-02 2.663E+00 2.208E+07 3 3 1.41739E+04 -2.58706E-01 -3.22998E-01 7.529E-01 3.162E+02 1.500E+07 3 4 5.38097E+04 -2.58706E-01 -2.41771E-01 -4.175E-02 1.109E+02 1.603E+05 3 5 1.27172E+04 -2.58706E-01 -1.87050E-01 -1.267E-01 7.955E+01 8.706E+06 3 6 9.26631E+03 -2.58706E-01 -1.60364E-01 -4.698E-04 2.150E-01 6.082E+04 3 7 6.87168E+03 -2.58706E-01 -1.26094E-01 -1.750E-02 5.938E+00 4.120E+06 3 8 5.44762E+03 -2.58706E-01 -9.14280E-02 -6.365E-03 1.712E+00 2.384E+06 3 9 4.80615E+03 -2.58706E-01 -6.91018E-02 -3.094E-03 7.343E-01 1.489E+06 3 10 4.45202E+03 -2.58706E-01 -5.40199E-02 -1.775E-03 3.902E-01 9.953E+05 3 11 4.23194E+03 -2.58706E-01 -4.33752E-02 -1.127E-03 2.356E-01 6.997E+05 4 1 4.52854E+02 -1.64782E-01 -2.17706E+00 6.113E-02 8.203E-01 1.193E+09 4 2 2.00986E+03 -1.64782E-01 -6.18180E-01 2.408E-02 1.434E+00 2.385E+07 4 3 5.75964E+03 -1.64782E-01 -3.22998E-01 2.770E-03 4.727E-01 3.342E+05 4 4 1.18363E+04 -1.64782E-01 -2.41771E-01 1.697E-01 5.950E+01 4.847E+06 4 5 4.09227E+04 -1.64782E-01 -1.87050E-01 7.683E-01 9.316E+02 1.836E+06 4 6 2.06262E+05 -1.64782E-01 -1.60364E-01 -1.379E-02 1.405E+02 3.604E+03 4 7 2.35543E+04 -1.64782E-01 -1.26094E-01 -2.161E-01 2.514E+02 4.331E+06 4 8 1.24229E+04 -1.64782E-01 -9.14280E-02 -2.937E-02 1.802E+01 2.116E+06 4 9 9.52409E+03 -1.64782E-01 -6.91018E-02 -1.014E-02 4.769E+00 1.243E+06 4 10 8.22725E+03 -1.64782E-01 -5.40199E-02 -4.897E-03 1.989E+00 8.042E+05 4 11 7.50590E+03 -1.64782E-01 -4.33752E-02 -2.808E-03 1.041E+00 5.541E+05 5 1 4.41760E+02 -1.14251E-01 -2.17706E+00 3.964E-02 5.189E-01 8.130E+08 5 2 1.80832E+03 -1.14251E-01 -6.18180E-01 1.744E-02 9.347E-01 2.135E+07 5 3 4.36541E+03 -1.14251E-01 -3.22998E-01 9.570E-03 1.238E+00 2.010E+06 5 4 7.14607E+03 -1.14251E-01 -2.41771E-01 1.366E-02 2.891E+00 1.070E+06 5 5 1.25176E+04 -1.14251E-01 -1.87050E-01 1.870E-02 6.936E+00 4.776E+05 5 6 1.97616E+04 -1.14251E-01 -1.60364E-01 6.143E-02 3.597E+01 6.295E+05 5 7 7.69457E+04 -1.14251E-01 -1.26094E-01 1.025E+00 2.336E+03 6.925E+05 5 8 3.99276E+04 -1.14251E-01 -9.14280E-02 -3.111E-01 6.133E+02 2.169E+06 5 9 2.01835E+04 -1.14251E-01 -6.91018E-02 -3.977E-02 3.964E+01 1.085E+06 5 10 1.51295E+04 -1.14251E-01 -5.40199E-02 -1.367E-02 1.021E+01 6.637E+05 5 11 1.28572E+04 -1.14251E-01 -4.33752E-02 -6.592E-03 4.185E+00 4.433E+05 6 1 4.35603E+02 -8.50907E-02 -2.17706E+00 4.472E-02 5.772E-01 9.432E+08 6 2 1.70941E+03 -8.50907E-02 -6.18180E-01 2.734E-02 1.385E+00 3.745E+07 6 3 3.83035E+03 -8.50907E-02 -3.22998E-01 3.861E-02 4.382E+00 1.053E+07 6 4 5.81609E+03 -8.50907E-02 -2.41771E-01 2.411E-02 4.155E+00 2.852E+06 6 5 8.93756E+03 -8.50907E-02 -1.87050E-01 1.146E-02 3.034E+00 5.739E+05 6 6 1.21061E+04 -8.50907E-02 -1.60364E-01 1.617E-04 5.799E-02 4.414E+03 6 7 2.22242E+04 -8.50907E-02 -1.26094E-01 3.824E-02 2.518E+01 3.099E+05 6 8 1.43794E+05 -8.50907E-02 -9.14280E-02 8.846E-01 3.769E+03 1.712E+05 6 9 5.69938E+04 -8.50907E-02 -6.91018E-02 -2.578E-01 7.256E+02 8.823E+05 6 10 2.93287E+04 -8.50907E-02 -5.40199E-02 -3.611E-02 5.229E+01 4.666E+05 6 11 2.18448E+04 -8.50907E-02 -4.33752E-02 -1.247E-02 1.346E+01 2.906E+05 7 1 4.33869E+02 -7.67327E-02 -2.17706E+00 1.603E-02 2.061E-01 3.409E+08 7 2 1.68302E+03 -7.67327E-02 -6.18180E-01 2.083E-02 1.039E+00 2.943E+07 7 3 3.70035E+03 -7.67327E-02 -3.22998E-01 7.219E-02 7.915E+00 2.110E+07 7 4 5.52155E+03 -7.67327E-02 -2.41771E-01 2.706E-01 4.426E+01 3.551E+07 7 5 8.26042E+03 -7.67327E-02 -1.87050E-01 4.997E-04 1.223E-01 2.931E+04 7 6 1.08962E+04 -7.67327E-02 -1.60364E-01 5.441E-02 1.757E+01 1.834E+06 7 7 1.84612E+04 -7.67327E-02 -1.26094E-01 7.388E-03 4.041E+00 8.675E+04 7 8 6.20108E+04 -7.67327E-02 -9.14280E-02 4.321E-01 7.939E+02 4.497E+05 7 9 1.19418E+05 -7.67327E-02 -6.91018E-02 -2.049E-01 1.208E+03 1.597E+05 7 10 4.01213E+04 -7.67327E-02 -5.40199E-02 -7.913E-03 1.568E+01 5.465E+04 7 11 2.73182E+04 -7.67327E-02 -4.33752E-02 -2.620E-03 3.534E+00 3.903E+04 8 1 4.31058E+02 -6.30374E-02 -2.17706E+00 4.981E-03 6.362E-02 1.073E+08 8 2 1.64150E+03 -6.30374E-02 -6.18180E-01 8.044E-04 3.913E-02 1.195E+06 8 3 3.50540E+03 -6.30374E-02 -3.22998E-01 4.492E-04 4.666E-02 1.463E+05 8 4 5.09847E+03 -6.30374E-02 -2.41771E-01 3.524E-02 5.324E+00 5.426E+06 8 5 7.34818E+03 -6.30374E-02 -1.87050E-01 7.028E-03 1.530E+00 5.209E+05 8 6 9.36298E+03 -6.30374E-02 -1.60364E-01 1.543E-02 4.281E+00 7.045E+05 8 7 1.44516E+04 -6.30374E-02 -1.26094E-01 7.547E-03 3.231E+00 1.446E+05 8 8 3.20975E+04 -6.30374E-02 -9.14280E-02 7.857E-05 7.472E-02 3.052E+02 8 9 1.50265E+05 -6.30374E-02 -6.91018E-02 1.623E+00 7.227E+03 2.877E+05 8 10 1.01055E+05 -6.30374E-02 -5.40199E-02 -5.735E-01 2.862E+03 6.243E+05 8 11 4.63461E+04 -6.30374E-02 -4.33752E-02 -6.344E-02 1.452E+02 3.283E+05 9 1 4.28406E+02 -4.99480E-02 -2.17706E+00 5.656E-03 7.179E-02 1.233E+08 9 2 1.60369E+03 -4.99480E-02 -6.18180E-01 1.537E-03 7.302E-02 2.391E+06 9 3 3.33736E+03 -4.99480E-02 -3.22998E-01 6.473E-05 6.401E-03 2.326E+04 9 4 4.75056E+03 -4.99480E-02 -2.41771E-01 1.246E-02 1.753E+00 2.209E+06 9 5 6.64664E+03 -4.99480E-02 -1.87050E-01 4.969E-03 9.785E-01 4.501E+05 9 6 8.25303E+03 -4.99480E-02 -1.60364E-01 6.423E-03 1.571E+00 3.774E+05 9 7 1.19674E+04 -4.99480E-02 -1.26094E-01 6.544E-03 2.321E+00 1.829E+05 9 8 2.19688E+04 -4.99480E-02 -9.14280E-02 3.778E-03 2.459E+00 3.132E+04 9 9 4.75763E+04 -4.99480E-02 -6.91018E-02 1.456E-05 2.052E-02 2.573E+01 9 10 2.23794E+05 -4.99480E-02 -5.40199E-02 1.842E+00 1.222E+04 1.472E+05 9 11 1.38642E+05 -4.99480E-02 -4.33752E-02 -6.639E-01 4.545E+03 3.839E+05 10 1 4.26502E+02 -4.04532E-02 -2.17706E+00 4.619E-03 5.837E-02 1.016E+08 10 2 1.57733E+03 -4.04532E-02 -6.18180E-01 1.380E-03 6.449E-02 2.220E+06 10 3 3.22521E+03 -4.04532E-02 -3.22998E-01 1.834E-04 1.753E-02 7.058E+04 10 4 4.52651E+03 -4.04532E-02 -2.41771E-01 6.673E-03 8.950E-01 1.303E+06 10 5 6.21615E+03 -4.04532E-02 -1.87050E-01 3.492E-03 6.432E-01 3.617E+05 10 6 7.59954E+03 -4.04532E-02 -1.60364E-01 3.592E-03 8.089E-01 2.489E+05 10 7 1.06406E+04 -4.04532E-02 -1.26094E-01 4.702E-03 1.482E+00 1.662E+05 10 8 1.78768E+04 -4.04532E-02 -9.14280E-02 3.501E-03 1.854E+00 4.384E+04 10 9 3.18084E+04 -4.04532E-02 -6.91018E-02 2.273E-03 2.143E+00 8.992E+03 10 10 6.71694E+04 -4.04532E-02 -5.40199E-02 9.299E-05 1.851E-01 8.248E+01 10 11 3.11864E+05 -4.04532E-02 -4.33752E-02 2.044E+00 1.889E+04 8.412E+04 3 1 1 3 2 0 :isi,li,ipi,isj,lj,ipj 18 15 270 : ni,nj,ntrs/i,j,wl(A),Ei(Ry),Ej(Ry),f,S,A(/s) 1 1 1.76839E+03 -1.16980E+00 -6.54490E-01 -1.750E-02 9.169E-01 2.239E+07 1 2 1.08217E+03 -1.16980E+00 -3.27727E-01 -4.047E-04 1.298E-02 1.383E+06 1 3 9.90525E+02 -1.16980E+00 -2.49816E-01 -1.408E-03 4.132E-02 5.742E+06 1 4 9.37251E+02 -1.16980E+00 -1.97524E-01 -1.757E-05 4.878E-04 8.003E+04 1 5 9.02385E+02 -1.16980E+00 -1.59957E-01 -9.433E-04 2.522E-02 4.636E+06 1 6 8.78170E+02 -1.16980E+00 -1.32111E-01 -7.480E-07 1.946E-05 3.882E+03 1 7 8.60751E+02 -1.16980E+00 -1.11112E-01 -6.116E-04 1.560E-02 3.303E+06 1 8 8.47512E+02 -1.16980E+00 -9.45736E-02 -7.808E-06 1.961E-04 4.350E+04 1 9 8.37442E+02 -1.16980E+00 -8.16446E-02 -4.108E-04 1.019E-02 2.344E+06 1 10 8.29358E+02 -1.16980E+00 -7.10384E-02 -1.240E-05 3.047E-04 7.214E+04 1 11 8.22973E+02 -1.16980E+00 -6.25134E-02 -2.869E-04 6.995E-03 1.695E+06 1 12 8.17655E+02 -1.16980E+00 -5.53120E-02 -1.388E-05 3.362E-04 8.307E+04 1 13 8.13337E+02 -1.16980E+00 -4.93948E-02 -2.074E-04 4.999E-03 1.255E+06 1 14 8.09644E+02 -1.16980E+00 -4.42848E-02 -1.359E-05 3.260E-04 8.296E+04 1 15 8.06581E+02 -1.16980E+00 -4.00102E-02 -1.546E-04 3.694E-03 9.507E+05 2 1 5.69012E+03 -8.14639E-01 -6.54490E-01 -4.089E-01 6.894E+01 5.054E+07 2 2 1.87152E+03 -8.14639E-01 -3.27727E-01 -2.247E-02 1.246E+00 2.567E+07 2 3 1.61337E+03 -8.14639E-01 -2.49816E-01 -8.061E-04 3.853E-02 1.239E+06 2 4 1.47666E+03 -8.14639E-01 -1.97524E-01 -1.127E-02 4.929E-01 2.068E+07 2 5 1.39192E+03 -8.14639E-01 -1.59957E-01 -3.796E-04 1.565E-02 7.840E+05 2 6 1.33514E+03 -8.14639E-01 -1.32111E-01 -6.290E-03 2.488E-01 1.412E+07 2 7 1.29528E+03 -8.14639E-01 -1.11112E-01 -2.029E-04 7.786E-03 4.839E+05 2 8 1.26553E+03 -8.14639E-01 -9.45736E-02 -3.901E-03 1.463E-01 9.748E+06 2 9 1.24321E+03 -8.14639E-01 -8.16446E-02 -1.208E-04 4.449E-03 3.127E+05 2 10 1.22548E+03 -8.14639E-01 -7.10384E-02 -2.602E-03 9.449E-02 6.934E+06 2 11 1.21159E+03 -8.14639E-01 -6.25134E-02 -7.772E-05 2.790E-03 2.119E+05 2 12 1.20010E+03 -8.14639E-01 -5.53120E-02 -1.828E-03 6.499E-02 5.079E+06 2 13 1.19082E+03 -8.14639E-01 -4.93948E-02 -5.300E-05 1.870E-03 1.496E+05 2 14 1.18292E+03 -8.14639E-01 -4.42848E-02 -1.334E-03 4.677E-02 3.816E+06 2 15 1.17639E+03 -8.14639E-01 -4.00102E-02 -3.779E-05 1.317E-03 1.093E+05 3 1 4.48637E+03 -4.51371E-01 -6.54490E-01 1.951E-02 4.323E+00 1.078E+07 3 2 7.37009E+03 -4.51371E-01 -3.27727E-01 -3.161E-02 6.903E+00 2.329E+06 3 3 4.52118E+03 -4.51371E-01 -2.49816E-01 -9.356E-01 1.253E+02 1.832E+08 3 4 3.58983E+03 -4.51371E-01 -1.97524E-01 -9.976E-04 1.061E-01 3.098E+05 3 5 3.12705E+03 -4.51371E-01 -1.59957E-01 -1.540E-01 1.427E+01 6.303E+07 3 6 2.85431E+03 -4.51371E-01 -1.32111E-01 -2.113E-04 1.787E-02 1.038E+05 3 7 2.67816E+03 -4.51371E-01 -1.11112E-01 -5.412E-02 4.295E+00 3.020E+07 3 8 2.55402E+03 -4.51371E-01 -9.45736E-02 -7.714E-05 5.838E-03 4.733E+04 3 9 2.46471E+03 -4.51371E-01 -8.16446E-02 -2.590E-02 1.891E+00 1.706E+07 3 10 2.39597E+03 -4.51371E-01 -7.10384E-02 -3.653E-05 2.594E-03 2.547E+04 3 11 2.34345E+03 -4.51371E-01 -6.25134E-02 -1.466E-02 1.018E+00 1.068E+07 3 12 2.30084E+03 -4.51371E-01 -5.53120E-02 -2.018E-05 1.376E-03 1.525E+04 3 13 2.26697E+03 -4.51371E-01 -4.93948E-02 -9.193E-03 6.175E-01 7.159E+06 3 14 2.23851E+03 -4.51371E-01 -4.42848E-02 -1.234E-05 8.187E-04 9.859E+03 3 15 2.21525E+03 -4.51371E-01 -4.00102E-02 -6.193E-03 4.065E-01 5.051E+06 4 1 3.36189E+03 -3.83432E-01 -6.54490E-01 1.186E-01 1.969E+01 1.166E+08 4 2 1.63588E+04 -3.83432E-01 -3.27727E-01 -6.398E-01 3.101E+02 9.567E+06 4 3 6.82004E+03 -3.83432E-01 -2.49816E-01 -1.598E-02 3.229E+00 1.375E+06 4 4 4.90171E+03 -3.83432E-01 -1.97524E-01 -1.202E-02 1.746E+00 2.002E+06 4 5 4.07771E+03 -3.83432E-01 -1.59957E-01 -8.899E-04 1.075E-01 2.142E+05 4 6 3.62591E+03 -3.83432E-01 -1.32111E-01 -7.062E-03 7.587E-01 2.150E+06 4 7 3.34631E+03 -3.83432E-01 -1.11112E-01 -1.860E-04 1.844E-02 6.647E+04 4 8 3.15472E+03 -3.83432E-01 -9.45736E-02 -4.072E-03 3.806E-01 1.637E+06 4 9 3.01957E+03 -3.83432E-01 -8.16446E-02 -6.447E-05 5.768E-03 2.830E+04 4 10 2.91705E+03 -3.83432E-01 -7.10384E-02 -2.546E-03 2.200E-01 1.197E+06 4 11 2.83956E+03 -3.83432E-01 -6.25134E-02 -2.924E-05 2.460E-03 1.451E+04 4 12 2.77724E+03 -3.83432E-01 -5.53120E-02 -1.699E-03 1.398E-01 8.815E+05 4 13 2.72804E+03 -3.83432E-01 -4.93948E-02 -1.566E-05 1.265E-03 8.418E+03 4 14 2.68694E+03 -3.83432E-01 -4.42848E-02 -1.193E-03 9.500E-02 6.615E+05 4 15 2.65349E+03 -3.83432E-01 -4.00102E-02 -9.372E-06 7.368E-04 5.327E+03 5 1 2.28267E+03 -2.55279E-01 -6.54490E-01 8.087E-05 9.115E-03 1.725E+05 5 2 1.25782E+04 -2.55279E-01 -3.27727E-01 2.911E-02 1.808E+01 2.045E+06 5 3 1.66807E+05 -2.55279E-01 -2.49816E-01 -6.953E-02 3.437E+02 1.000E+04 5 4 1.57781E+04 -2.55279E-01 -1.97524E-01 -4.331E-02 2.025E+01 6.962E+05 5 5 9.55988E+03 -2.55279E-01 -1.59957E-01 -7.627E-01 2.160E+02 3.340E+07 5 6 7.39857E+03 -2.55279E-01 -1.32111E-01 -2.327E-03 5.100E-01 1.701E+05 5 7 6.32091E+03 -2.55279E-01 -1.11112E-01 -1.784E-01 3.342E+01 1.787E+07 5 8 5.67042E+03 -2.55279E-01 -9.45736E-02 -6.090E-04 1.023E-01 7.580E+04 5 9 5.24819E+03 -2.55279E-01 -8.16446E-02 -7.233E-02 1.125E+01 1.051E+07 5 10 4.94607E+03 -2.55279E-01 -7.10384E-02 -2.538E-04 3.719E-02 4.151E+04 5 11 4.72733E+03 -2.55279E-01 -6.25134E-02 -3.749E-02 5.251E+00 6.713E+06 5 12 4.55709E+03 -2.55279E-01 -5.53120E-02 -1.323E-04 1.787E-02 2.550E+04 5 13 4.42611E+03 -2.55279E-01 -4.93948E-02 -2.232E-02 2.927E+00 4.560E+06 5 14 4.31892E+03 -2.55279E-01 -4.42848E-02 -7.874E-05 1.008E-02 1.689E+04 5 15 4.23316E+03 -2.55279E-01 -4.00102E-02 -1.453E-02 1.823E+00 3.246E+06 6 1 2.11294E+03 -2.23211E-01 -6.54490E-01 1.959E-02 2.044E+00 4.877E+07 6 2 8.71893E+03 -2.23211E-01 -3.27727E-01 2.051E-01 8.832E+01 3.000E+07 6 3 3.42517E+04 -2.23211E-01 -2.49816E-01 1.964E-03 3.322E+00 1.861E+04 6 4 3.54758E+04 -2.23211E-01 -1.97524E-01 -8.419E-01 8.849E+02 2.677E+06 6 5 1.44065E+04 -2.23211E-01 -1.59957E-01 -1.454E-02 6.208E+00 2.804E+05 6 6 1.00029E+04 -2.23211E-01 -1.32111E-01 -8.633E-03 2.559E+00 3.453E+05 6 7 8.12913E+03 -2.23211E-01 -1.11112E-01 -1.376E-03 3.313E-01 8.330E+04 6 8 7.08400E+03 -2.23211E-01 -9.45736E-02 -5.872E-03 1.233E+00 4.683E+05 6 9 6.43703E+03 -2.23211E-01 -8.16446E-02 -3.843E-04 7.330E-02 3.712E+04 6 10 5.98838E+03 -2.23211E-01 -7.10384E-02 -3.562E-03 6.320E-01 3.975E+05 6 11 5.67069E+03 -2.23211E-01 -6.25134E-02 -1.612E-04 2.709E-02 2.006E+04 6 12 5.42747E+03 -2.23211E-01 -5.53120E-02 -2.299E-03 3.697E-01 3.123E+05 6 13 5.24271E+03 -2.23211E-01 -4.93948E-02 -8.373E-05 1.301E-02 1.219E+04 6 14 5.09298E+03 -2.23211E-01 -4.42848E-02 -1.572E-03 2.372E-01 2.426E+05 6 15 4.97414E+03 -2.23211E-01 -4.00102E-02 -4.958E-05 7.307E-03 8.019E+03 7 1 1.85494E+03 -1.63226E-01 -6.54490E-01 2.773E-07 2.540E-05 8.960E+02 7 2 5.53958E+03 -1.63226E-01 -3.27727E-01 2.713E-04 7.422E-02 9.829E+04 7 3 1.05239E+04 -1.63226E-01 -2.49816E-01 1.310E-02 6.808E+00 1.315E+06 7 4 2.65691E+04 -1.63226E-01 -1.97524E-01 3.635E-02 4.769E+01 5.724E+05 7 5 2.78761E+05 -1.63226E-01 -1.59957E-01 -1.481E-01 1.223E+03 7.628E+03 7 6 2.92871E+04 -1.63226E-01 -1.32111E-01 -5.282E-02 4.584E+01 2.465E+05 7 7 1.74860E+04 -1.63226E-01 -1.11112E-01 -6.759E-01 3.502E+02 8.846E+06 7 8 1.32736E+04 -1.63226E-01 -9.45736E-02 -3.367E-03 1.324E+00 7.647E+04 7 9 1.11700E+04 -1.63226E-01 -8.16446E-02 -1.788E-01 5.917E+01 5.734E+06 7 10 9.88492E+03 -1.63226E-01 -7.10384E-02 -9.452E-04 2.768E-01 3.871E+04 7 11 9.04819E+03 -1.63226E-01 -6.25134E-02 -7.720E-02 2.070E+01 3.774E+06 7 12 8.44438E+03 -1.63226E-01 -5.53120E-02 -4.113E-04 1.029E-01 2.308E+04 7 13 8.00543E+03 -1.63226E-01 -4.93948E-02 -4.163E-02 9.875E+00 2.600E+06 7 14 7.66149E+03 -1.63226E-01 -4.42848E-02 -2.212E-04 5.022E-02 1.508E+04 7 15 7.39570E+03 -1.63226E-01 -4.00102E-02 -2.549E-02 5.585E+00 1.865E+06 8 1 1.79222E+03 -1.46032E-01 -6.54490E-01 7.413E-03 6.561E-01 2.566E+07 8 2 5.01537E+03 -1.46032E-01 -3.27727E-01 3.097E-02 7.671E+00 1.369E+07 8 3 8.78042E+03 -1.46032E-01 -2.49816E-01 6.608E-06 2.865E-03 9.528E+02 8 4 1.76973E+04 -1.46032E-01 -1.97524E-01 2.953E-01 2.580E+02 1.048E+07 8 5 6.54411E+04 -1.46032E-01 -1.59957E-01 2.921E-03 9.438E+00 7.581E+03 8 6 6.54599E+04 -1.46032E-01 -1.32111E-01 -1.039E+00 2.015E+03 9.705E+05 8 7 2.60958E+04 -1.46032E-01 -1.11112E-01 -1.317E-02 1.018E+01 7.737E+04 8 8 1.77088E+04 -1.46032E-01 -9.45736E-02 -6.633E-03 3.480E+00 8.465E+04 8 9 1.41529E+04 -1.46032E-01 -8.16446E-02 -1.507E-03 6.318E-01 3.010E+04 8 10 1.21513E+04 -1.46032E-01 -7.10384E-02 -5.138E-03 1.850E+00 1.393E+05 8 11 1.09109E+04 -1.46032E-01 -6.25134E-02 -4.684E-04 1.514E-01 1.575E+04 8 12 1.00448E+04 -1.46032E-01 -5.53120E-02 -3.243E-03 9.653E-01 1.286E+05 8 13 9.42978E+03 -1.46032E-01 -4.93948E-02 -2.103E-04 5.877E-02 9.466E+03 8 14 8.95619E+03 -1.46032E-01 -4.42848E-02 -2.144E-03 5.691E-01 1.070E+05 8 15 8.59509E+03 -1.46032E-01 -4.00102E-02 -1.146E-04 2.917E-02 6.206E+03 9 1 1.68355E+03 -1.13212E-01 -6.54490E-01 7.460E-06 6.202E-04 2.926E+04 9 2 4.24803E+03 -1.13212E-01 -3.27727E-01 8.867E-06 1.860E-03 5.462E+03 9 3 6.67087E+03 -1.13212E-01 -2.49816E-01 2.350E-03 7.741E-01 5.870E+05 9 4 1.08083E+04 -1.13212E-01 -1.97524E-01 4.407E-04 2.352E-01 4.193E+04 9 5 1.94944E+04 -1.13212E-01 -1.59957E-01 3.493E-02 3.363E+01 1.022E+06 9 6 4.82177E+04 -1.13212E-01 -1.32111E-01 4.089E-02 9.735E+01 1.955E+05 9 7 4.33937E+05 -1.13212E-01 -1.11112E-01 -2.303E-01 2.961E+03 4.895E+03 9 8 4.88919E+04 -1.13212E-01 -9.45736E-02 -5.813E-02 8.421E+01 9.732E+04 9 9 2.88674E+04 -1.13212E-01 -8.16446E-02 -6.267E-01 5.360E+02 3.009E+06 9 10 2.16075E+04 -1.13212E-01 -7.10384E-02 -4.054E-03 2.596E+00 3.475E+04 9 11 1.79742E+04 -1.13212E-01 -6.25134E-02 -1.759E-01 9.367E+01 2.179E+06 9 12 1.57386E+04 -1.13212E-01 -5.53120E-02 -1.181E-03 5.508E-01 1.908E+04 9 13 1.42793E+04 -1.13212E-01 -4.93948E-02 -7.864E-02 3.327E+01 1.544E+06 9 14 1.32207E+04 -1.13212E-01 -4.42848E-02 -5.261E-04 2.061E-01 1.205E+04 9 15 1.24487E+04 -1.13212E-01 -4.00102E-02 -4.343E-02 1.602E+01 1.122E+06 10 1 1.65235E+03 -1.02993E-01 -6.54490E-01 3.759E-03 3.067E-01 1.530E+07 10 2 4.05487E+03 -1.02993E-01 -3.27727E-01 1.147E-02 2.296E+00 7.753E+06 10 3 6.20657E+03 -1.02993E-01 -2.49816E-01 1.033E-06 3.167E-04 2.982E+02 10 4 9.63988E+03 -1.02993E-01 -1.97524E-01 4.320E-02 2.056E+01 5.168E+06 10 5 1.59972E+04 -1.02993E-01 -1.59957E-01 4.960E-06 3.918E-03 2.155E+02 10 6 3.12957E+04 -1.02993E-01 -1.32111E-01 3.891E-01 6.013E+02 4.416E+06 10 7 1.12239E+05 -1.02993E-01 -1.11112E-01 3.005E-03 1.666E+01 2.652E+03 10 8 1.08234E+05 -1.02993E-01 -9.45736E-02 -1.240E+00 3.977E+03 4.236E+05 10 9 4.26855E+04 -1.02993E-01 -8.16446E-02 -1.029E-02 1.302E+01 2.261E+04 10 10 2.85176E+04 -1.02993E-01 -7.10384E-02 -4.969E-03 4.198E+00 2.445E+04 10 11 2.25118E+04 -1.02993E-01 -6.25134E-02 -1.304E-03 8.701E-01 1.030E+04 10 12 1.91117E+04 -1.02993E-01 -5.53120E-02 -4.458E-03 2.524E+00 4.884E+04 10 13 1.70018E+04 -1.02993E-01 -4.93948E-02 -4.300E-04 2.166E-01 5.953E+03 10 14 1.55220E+04 -1.02993E-01 -4.42848E-02 -2.926E-03 1.345E+00 4.859E+04 10 15 1.44685E+04 -1.02993E-01 -4.00102E-02 -2.008E-04 8.607E-02 3.838E+03 11 1 1.59498E+03 -8.31557E-02 -6.54490E-01 1.576E-05 1.241E-03 6.887E+04 11 2 3.72598E+03 -8.31557E-02 -3.27727E-01 1.885E-06 3.469E-04 1.510E+03 11 3 5.46781E+03 -8.31557E-02 -2.49816E-01 8.913E-04 2.407E-01 3.314E+05 11 4 7.96783E+03 -8.31557E-02 -1.97524E-01 1.797E-05 7.072E-03 3.147E+03 11 5 1.18653E+04 -8.31557E-02 -1.59957E-01 6.659E-03 3.902E+00 5.258E+05 11 6 1.86143E+04 -8.31557E-02 -1.32111E-01 4.483E-04 4.121E-01 1.438E+04 11 7 3.25961E+04 -8.31557E-02 -1.11112E-01 6.437E-02 1.036E+02 6.735E+05 11 8 7.98104E+04 -8.31557E-02 -9.45736E-02 3.981E-02 1.569E+02 6.947E+04 11 9 6.03050E+05 -8.31557E-02 -8.16446E-02 -3.323E-01 5.938E+03 3.657E+03 11 10 7.52038E+04 -8.31557E-02 -7.10384E-02 -5.416E-02 1.207E+02 3.832E+04 11 11 4.41456E+04 -8.31557E-02 -6.25134E-02 -5.839E-01 7.637E+02 1.199E+06 11 12 3.27279E+04 -8.31557E-02 -5.53120E-02 -4.078E-03 3.954E+00 1.524E+04 11 13 2.69918E+04 -8.31557E-02 -4.93948E-02 -1.708E-01 1.366E+02 9.381E+05 11 14 2.34434E+04 -8.31557E-02 -4.42848E-02 -1.223E-03 8.497E-01 8.908E+03 11 15 2.11208E+04 -8.31557E-02 -4.00102E-02 -7.820E-02 4.894E+01 7.015E+05 12 1 1.57686E+03 -7.65905E-02 -6.54490E-01 2.235E-03 1.741E-01 9.994E+06 12 2 3.62857E+03 -7.65905E-02 -3.27727E-01 5.803E-03 1.040E+00 4.899E+06 12 3 5.26058E+03 -7.65905E-02 -2.49816E-01 1.107E-07 2.875E-05 4.445E+01 12 4 7.53527E+03 -7.65905E-02 -1.97524E-01 1.589E-02 5.912E+00 3.110E+06 12 5 1.09309E+04 -7.65905E-02 -1.59957E-01 1.683E-07 9.083E-05 1.566E+01 12 6 1.64132E+04 -7.65905E-02 -1.32111E-01 5.602E-02 4.540E+01 2.312E+06 12 7 2.63971E+04 -7.65905E-02 -1.11112E-01 5.907E-07 7.700E-04 9.424E+00 12 8 5.06735E+04 -7.65905E-02 -9.45736E-02 4.915E-01 1.230E+03 2.128E+06 12 9 1.80302E+05 -7.65905E-02 -8.16446E-02 1.622E-03 1.444E+01 5.546E+02 12 10 1.64130E+05 -7.65905E-02 -7.10384E-02 -1.458E+00 7.089E+03 2.166E+05 12 11 6.47340E+04 -7.65905E-02 -6.25134E-02 -4.374E-03 8.390E+00 4.178E+03 12 12 4.28257E+04 -7.65905E-02 -5.53120E-02 -2.987E-03 3.790E+00 6.517E+03 12 13 3.35078E+04 -7.65905E-02 -4.93948E-02 -6.050E-04 6.006E-01 2.156E+03 12 14 2.82076E+04 -7.65905E-02 -4.42848E-02 -3.491E-03 2.918E+00 1.756E+04 12 15 2.49114E+04 -7.65905E-02 -4.00102E-02 -2.098E-04 1.548E-01 1.353E+03 13 1 1.54288E+03 -6.38644E-02 -6.54490E-01 3.877E-05 2.954E-03 1.811E+05 13 2 3.45357E+03 -6.38644E-02 -3.27727E-01 2.755E-05 4.698E-03 2.567E+04 13 3 4.90056E+03 -6.38644E-02 -2.49816E-01 4.961E-04 1.201E-01 2.297E+05 13 4 6.81782E+03 -6.38644E-02 -1.97524E-01 1.330E-05 4.478E-03 3.181E+03 13 5 9.48322E+03 -6.38644E-02 -1.59957E-01 2.751E-03 1.288E+00 3.400E+05 13 6 1.33526E+04 -6.38644E-02 -1.32111E-01 1.581E-07 1.043E-04 9.860E+00 13 7 1.92871E+04 -6.38644E-02 -1.11112E-01 1.337E-02 1.274E+01 3.996E+05 13 8 2.96741E+04 -6.38644E-02 -9.45736E-02 1.111E-04 1.628E-01 1.402E+03 13 9 5.12518E+04 -6.38644E-02 -8.16446E-02 1.086E-01 2.749E+02 4.596E+05 13 10 1.27024E+05 -6.38644E-02 -7.10384E-02 2.267E-02 1.422E+02 1.562E+04 13 11 6.74514E+05 -6.38644E-02 -6.25134E-02 -5.187E-01 1.037E+04 4.562E+03 13 12 1.06551E+05 -6.38644E-02 -5.53120E-02 -2.551E-02 8.054E+01 8.993E+03 13 13 6.29780E+04 -6.38644E-02 -4.93948E-02 -4.896E-01 9.135E+02 4.940E+05 13 14 4.65416E+04 -6.38644E-02 -4.42848E-02 -2.220E-03 3.061E+00 4.101E+03 13 15 3.82015E+04 -6.38644E-02 -4.00102E-02 -1.523E-01 1.724E+02 4.177E+05 14 1 1.53125E+03 -5.93754E-02 -6.54490E-01 1.479E-03 1.119E-01 7.014E+06 14 2 3.39580E+03 -5.93754E-02 -3.27727E-01 3.424E-03 5.742E-01 3.301E+06 14 3 4.78505E+03 -5.93754E-02 -2.49816E-01 1.718E-07 4.060E-05 8.341E+01 14 4 6.59628E+03 -5.93754E-02 -1.97524E-01 7.933E-03 2.584E+00 2.027E+06 14 5 9.05998E+03 -5.93754E-02 -1.59957E-01 5.331E-07 2.385E-04 7.219E+01 14 6 1.25285E+04 -5.93754E-02 -1.32111E-01 2.026E-02 1.253E+01 1.435E+06 14 7 1.76136E+04 -5.93754E-02 -1.11112E-01 1.153E-06 1.003E-03 4.133E+01 14 8 2.58896E+04 -5.93754E-02 -9.45736E-02 6.907E-02 8.830E+01 1.145E+06 14 9 4.09205E+04 -5.93754E-02 -8.16446E-02 2.925E-06 5.911E-03 1.942E+01 14 10 7.81332E+04 -5.93754E-02 -7.10384E-02 6.204E-01 2.394E+03 1.130E+06 14 11 2.90397E+05 -5.93754E-02 -6.25134E-02 1.177E-03 1.687E+01 1.551E+02 14 12 2.24262E+05 -5.93754E-02 -5.53120E-02 -1.712E+00 1.138E+04 1.362E+05 14 13 9.13038E+04 -5.93754E-02 -4.93948E-02 -4.476E-03 1.211E+01 2.148E+03 14 14 6.03864E+04 -5.93754E-02 -4.42848E-02 -1.340E-04 2.398E-01 1.471E+02 14 15 4.70569E+04 -5.93754E-02 -4.00102E-02 -6.136E-04 8.555E-01 1.109E+03 15 1 1.51309E+03 -5.22324E-02 -6.54490E-01 1.047E-04 7.821E-03 5.082E+05 15 2 3.30775E+03 -5.22324E-02 -3.27727E-01 8.633E-05 1.410E-02 8.772E+04 15 3 4.61206E+03 -5.22324E-02 -2.49816E-01 3.289E-04 7.492E-02 1.719E+05 15 4 6.27199E+03 -5.22324E-02 -1.97524E-01 8.260E-05 2.558E-02 2.334E+04 15 5 8.45923E+03 -5.22324E-02 -1.59957E-01 1.448E-03 6.049E-01 2.249E+05 15 6 1.14082E+04 -5.22324E-02 -1.32111E-01 9.040E-05 5.093E-02 7.722E+03 15 7 1.54768E+04 -5.22324E-02 -1.11112E-01 5.105E-03 3.901E+00 2.369E+05 15 8 2.15220E+04 -5.22324E-02 -9.45736E-02 1.170E-04 1.243E-01 2.808E+03 15 9 3.09826E+04 -5.22324E-02 -8.16446E-02 2.098E-02 3.210E+01 2.430E+05 15 10 4.84562E+04 -5.22324E-02 -7.10384E-02 2.351E-04 5.625E-01 1.113E+03 15 11 8.86360E+04 -5.22324E-02 -6.25134E-02 1.945E-01 8.515E+02 2.753E+05 15 12 2.95904E+05 -5.22324E-02 -5.53120E-02 2.148E-02 3.139E+02 2.727E+03 15 13 3.21140E+05 -5.22324E-02 -4.93948E-02 -8.961E-01 8.527E+03 3.477E+04 15 14 1.14659E+05 -5.22324E-02 -4.42848E-02 -4.992E-02 1.696E+02 1.520E+04 15 15 7.45584E+04 -5.22324E-02 -4.00102E-02 -4.209E-02 9.298E+01 3.030E+04 16 1 1.50400E+03 -4.85953E-02 -6.54490E-01 3.532E-04 2.623E-02 1.736E+06 16 2 3.26465E+03 -4.85953E-02 -3.27727E-01 7.067E-04 1.139E-01 7.371E+05 16 3 4.52869E+03 -4.85953E-02 -2.49816E-01 1.463E-05 3.273E-03 7.932E+03 16 4 6.11881E+03 -4.85953E-02 -1.97524E-01 1.481E-03 4.474E-01 4.396E+05 16 5 8.18295E+03 -4.85953E-02 -1.59957E-01 9.720E-05 3.928E-02 1.614E+04 16 6 1.09113E+04 -4.85953E-02 -1.32111E-01 3.292E-03 1.774E+00 3.074E+05 16 7 1.45764E+04 -4.85953E-02 -1.11112E-01 4.307E-04 3.100E-01 2.253E+04 16 8 1.98195E+04 -4.85953E-02 -9.45736E-02 8.500E-03 8.319E+00 2.405E+05 16 9 2.75730E+04 -4.85953E-02 -8.16446E-02 1.906E-03 2.595E+00 2.787E+04 16 10 4.06034E+04 -4.85953E-02 -7.10384E-02 3.189E-02 6.395E+01 2.150E+05 16 11 6.54735E+04 -4.85953E-02 -6.25134E-02 1.229E-02 3.973E+01 3.186E+04 16 12 1.35672E+05 -4.85953E-02 -5.53120E-02 4.595E-01 3.078E+03 2.775E+05 16 13 1.13980E+06 -4.85953E-02 -4.93948E-02 1.433E-01 8.064E+03 1.226E+03 16 14 2.11406E+05 -4.85953E-02 -4.42848E-02 -9.880E-01 6.189E+03 8.847E+04 16 15 1.06145E+05 -4.85953E-02 -4.00102E-02 -6.028E-01 1.896E+03 2.141E+05 17 1 1.49754E+03 -4.59826E-02 -6.54490E-01 3.727E-04 2.756E-02 1.847E+06 17 2 3.23438E+03 -4.59826E-02 -3.27727E-01 1.021E-03 1.631E-01 1.085E+06 17 3 4.47065E+03 -4.59826E-02 -2.49816E-01 2.297E-05 5.072E-03 1.278E+04 17 4 6.01332E+03 -4.59826E-02 -1.97524E-01 2.342E-03 6.955E-01 7.200E+05 17 5 7.99537E+03 -4.59826E-02 -1.59957E-01 7.273E-05 2.872E-02 1.265E+04 17 6 1.05803E+04 -4.59826E-02 -1.32111E-01 5.231E-03 2.733E+00 5.194E+05 17 7 1.39916E+04 -4.59826E-02 -1.11112E-01 1.840E-04 1.271E-01 1.045E+04 17 8 1.87538E+04 -4.59826E-02 -9.45736E-02 1.273E-02 1.179E+01 4.025E+05 17 9 2.55529E+04 -4.59826E-02 -8.16446E-02 5.012E-04 6.324E-01 8.533E+03 17 10 3.63695E+04 -4.59826E-02 -7.10384E-02 3.998E-02 7.180E+01 3.360E+05 17 11 5.51254E+04 -4.59826E-02 -6.25134E-02 2.165E-03 5.893E+00 7.919E+03 17 12 9.76769E+04 -4.59826E-02 -5.53120E-02 2.706E-01 1.305E+03 3.153E+05 17 13 2.67061E+05 -4.59826E-02 -4.93948E-02 1.392E-01 1.836E+03 2.170E+04 17 14 5.36734E+05 -4.59826E-02 -4.42848E-02 -7.968E-01 1.267E+04 1.107E+04 17 15 1.52580E+05 -4.59826E-02 -4.00102E-02 -3.772E-01 1.705E+03 6.484E+04 18 1 1.48321E+03 -4.01022E-02 -6.54490E-01 1.634E-05 1.197E-03 8.257E+04 18 2 3.16825E+03 -4.01022E-02 -3.27727E-01 4.209E-05 6.586E-03 4.662E+04 18 3 4.34529E+03 -4.01022E-02 -2.49816E-01 8.307E-05 1.782E-02 4.890E+04 18 4 5.78870E+03 -4.01022E-02 -1.97524E-01 1.043E-04 2.982E-02 3.461E+04 18 5 7.60309E+03 -4.01022E-02 -1.59957E-01 3.886E-04 1.459E-01 7.473E+04 18 6 9.90413E+03 -4.01022E-02 -1.32111E-01 2.461E-04 1.203E-01 2.789E+04 18 7 1.28330E+04 -4.01022E-02 -1.11112E-01 1.283E-03 8.128E-01 8.658E+04 18 8 1.67293E+04 -4.01022E-02 -9.45736E-02 6.030E-04 4.982E-01 2.395E+04 18 9 2.19358E+04 -4.01022E-02 -8.16446E-02 4.023E-03 4.358E+00 9.295E+04 18 10 2.94563E+04 -4.01022E-02 -7.10384E-02 1.741E-03 2.532E+00 2.230E+04 18 11 4.06612E+04 -4.01022E-02 -6.25134E-02 1.466E-02 2.944E+01 9.857E+04 18 12 5.99131E+04 -4.01022E-02 -5.53120E-02 7.780E-03 2.302E+01 2.409E+04 18 13 9.80637E+04 -4.01022E-02 -4.93948E-02 9.140E-02 4.426E+02 1.057E+05 18 14 2.17871E+05 -4.01022E-02 -4.42848E-02 1.966E-01 2.115E+03 4.604E+04 18 15 9.90510E+06 -4.01022E-02 -4.00102E-02 -8.426E-02 2.473E+04 3.437E+00 3 2 1 3 2 0 :isi,li,ipi,isj,lj,ipj 10 15 150 : ni,nj,ntrs/i,j,wl(A),Ei(Ry),Ej(Ry),f,S,A(/s) 1 1 1.34065E+03 -1.33421E+00 -6.54490E-01 -2.018E-03 1.336E-01 7.489E+06 1 2 9.05397E+02 -1.33421E+00 -3.27727E-01 -7.147E-04 3.195E-02 5.815E+06 1 3 8.40347E+02 -1.33421E+00 -2.49816E-01 -1.507E-04 6.252E-03 1.423E+06 1 4 8.01688E+02 -1.33421E+00 -1.97524E-01 -4.268E-04 1.690E-02 4.429E+06 1 5 7.76040E+02 -1.33421E+00 -1.59957E-01 -1.107E-04 4.244E-03 1.226E+06 1 6 7.58063E+02 -1.33421E+00 -1.32111E-01 -2.939E-04 1.100E-02 3.411E+06 1 7 7.45048E+02 -1.33421E+00 -1.11112E-01 -7.567E-05 2.784E-03 9.092E+05 1 8 7.35108E+02 -1.33421E+00 -9.45736E-02 -2.143E-04 7.778E-03 2.645E+06 1 9 7.27521E+02 -1.33421E+00 -8.16446E-02 -5.261E-05 1.890E-03 6.630E+05 1 10 7.21412E+02 -1.33421E+00 -7.10384E-02 -1.612E-04 5.743E-03 2.066E+06 1 11 7.16576E+02 -1.33421E+00 -6.25134E-02 -3.765E-05 1.332E-03 4.891E+05 1 12 7.12541E+02 -1.33421E+00 -5.53120E-02 -1.239E-04 4.361E-03 1.628E+06 1 13 7.09259E+02 -1.33421E+00 -4.93948E-02 -2.771E-05 9.706E-04 3.674E+05 1 14 7.06450E+02 -1.33421E+00 -4.42848E-02 -9.700E-05 3.384E-03 1.296E+06 1 15 7.04116E+02 -1.33421E+00 -4.00102E-02 -2.093E-05 7.276E-04 2.815E+05 2 1 4.79609E+03 -4.64488E-01 -6.54490E-01 1.171E-01 2.774E+01 3.396E+07 2 2 6.66321E+03 -4.64488E-01 -3.27727E-01 -3.462E-02 1.139E+01 5.201E+06 2 3 4.24493E+03 -4.64488E-01 -2.49816E-01 -1.016E-01 2.130E+01 3.761E+07 2 4 3.41345E+03 -4.64488E-01 -1.97524E-01 -3.555E-03 5.992E-01 2.035E+06 2 5 2.99236E+03 -4.64488E-01 -1.59957E-01 -1.861E-02 2.749E+00 1.386E+07 2 6 2.74167E+03 -4.64488E-01 -1.32111E-01 -1.196E-03 1.619E-01 1.061E+06 2 7 2.57875E+03 -4.64488E-01 -1.11112E-01 -6.800E-03 8.659E-01 6.820E+06 2 8 2.46345E+03 -4.64488E-01 -9.45736E-02 -5.720E-04 6.958E-02 6.287E+05 2 9 2.38026E+03 -4.64488E-01 -8.16446E-02 -3.322E-03 3.905E-01 3.911E+06 2 10 2.31610E+03 -4.64488E-01 -7.10384E-02 -3.251E-04 3.719E-02 4.043E+05 2 11 2.26698E+03 -4.64488E-01 -6.25134E-02 -1.901E-03 2.128E-01 2.468E+06 2 12 2.22708E+03 -4.64488E-01 -5.53120E-02 -2.050E-04 2.255E-02 2.757E+05 2 13 2.19533E+03 -4.64488E-01 -4.93948E-02 -1.202E-03 1.303E-01 1.663E+06 2 14 2.16863E+03 -4.64488E-01 -4.42848E-02 -1.386E-04 1.484E-02 1.966E+05 2 15 2.14680E+03 -4.64488E-01 -4.00102E-02 -8.140E-04 8.629E-02 1.178E+06 3 1 2.30244E+03 -2.58706E-01 -6.54490E-01 1.820E-03 2.069E-01 2.290E+06 3 2 1.32028E+04 -2.58706E-01 -3.27727E-01 1.754E-01 1.144E+02 6.711E+06 3 3 1.02505E+05 -2.58706E-01 -2.49816E-01 -1.393E-02 7.053E+01 8.845E+03 3 4 1.48944E+04 -2.58706E-01 -1.97524E-01 -6.893E-02 5.070E+01 2.073E+06 3 5 9.22812E+03 -2.58706E-01 -1.59957E-01 -7.913E-02 3.606E+01 6.198E+06 3 6 7.19829E+03 -2.58706E-01 -1.32111E-01 -6.651E-03 2.364E+00 8.561E+05 3 7 6.17415E+03 -2.58706E-01 -1.11112E-01 -1.975E-02 6.021E+00 3.455E+06 3 8 5.55202E+03 -2.58706E-01 -9.45736E-02 -2.208E-03 6.054E-01 4.778E+05 3 9 5.14662E+03 -2.58706E-01 -8.16446E-02 -8.213E-03 2.087E+00 2.068E+06 3 10 4.85575E+03 -2.58706E-01 -7.10384E-02 -1.056E-03 2.532E-01 2.987E+05 3 11 4.64476E+03 -2.58706E-01 -6.25134E-02 -4.316E-03 9.899E-01 1.334E+06 3 12 4.48030E+03 -2.58706E-01 -5.53120E-02 -6.029E-04 1.334E-01 2.003E+05 3 13 4.35365E+03 -2.58706E-01 -4.93948E-02 -2.592E-03 5.573E-01 9.121E+05 3 14 4.24989E+03 -2.58706E-01 -4.42848E-02 -3.825E-04 8.028E-02 1.413E+05 3 15 4.16682E+03 -2.58706E-01 -4.00102E-02 -1.697E-03 3.491E-01 6.518E+05 4 1 1.86084E+03 -1.64782E-01 -6.54490E-01 1.947E-03 1.789E-01 3.750E+06 4 2 5.59248E+03 -1.64782E-01 -3.27727E-01 9.807E-06 2.708E-03 2.091E+03 4 3 1.07165E+04 -1.64782E-01 -2.49816E-01 3.975E-03 2.103E+00 2.308E+05 4 4 2.78318E+04 -1.64782E-01 -1.97524E-01 2.216E-01 3.046E+02 1.908E+06 4 5 1.88864E+05 -1.64782E-01 -1.59957E-01 -2.629E-02 2.452E+02 4.917E+03 4 6 2.78922E+04 -1.64782E-01 -1.32111E-01 -1.037E-01 1.428E+02 8.888E+05 4 7 1.69791E+04 -1.64782E-01 -1.11112E-01 -6.867E-02 5.757E+01 1.589E+06 4 8 1.29795E+04 -1.64782E-01 -9.45736E-02 -9.873E-03 6.328E+00 3.909E+05 4 9 1.09610E+04 -1.64782E-01 -8.16446E-02 -1.923E-02 1.041E+01 1.067E+06 4 10 9.72085E+03 -1.64782E-01 -7.10384E-02 -3.259E-03 1.565E+00 2.301E+05 4 11 8.91053E+03 -1.64782E-01 -6.25134E-02 -8.493E-03 3.737E+00 7.135E+05 4 12 8.32435E+03 -1.64782E-01 -5.53120E-02 -1.558E-03 6.404E-01 1.500E+05 4 13 7.89747E+03 -1.64782E-01 -4.93948E-02 -4.639E-03 1.809E+00 4.961E+05 4 14 7.56256E+03 -1.64782E-01 -4.42848E-02 -8.920E-04 3.331E-01 1.040E+05 4 15 7.30347E+03 -1.64782E-01 -4.00102E-02 -2.862E-03 1.032E+00 3.579E+05 5 1 1.68679E+03 -1.14251E-01 -6.54490E-01 1.336E-03 1.113E-01 3.132E+06 5 2 4.26871E+03 -1.14251E-01 -3.27727E-01 5.364E-04 1.131E-01 1.963E+05 5 3 6.72199E+03 -1.14251E-01 -2.49816E-01 7.080E-04 2.350E-01 1.045E+05 5 4 1.09431E+04 -1.14251E-01 -1.97524E-01 1.797E-04 9.713E-02 1.001E+04 5 5 1.99376E+04 -1.14251E-01 -1.59957E-01 9.820E-03 9.668E+00 1.648E+05 5 6 5.10228E+04 -1.14251E-01 -1.32111E-01 2.605E-01 6.564E+02 6.675E+05 5 7 2.90305E+05 -1.14251E-01 -1.11112E-01 -4.071E-02 5.837E+02 3.222E+03 5 8 4.63103E+04 -1.14251E-01 -9.45736E-02 -1.353E-01 3.093E+02 4.207E+05 5 9 2.79475E+04 -1.14251E-01 -8.16446E-02 -6.054E-02 8.355E+01 5.170E+05 5 10 2.10880E+04 -1.14251E-01 -7.10384E-02 -1.304E-02 1.358E+01 1.956E+05 5 11 1.76132E+04 -1.14251E-01 -6.25134E-02 -1.813E-02 1.577E+01 3.899E+05 5 12 1.54612E+04 -1.14251E-01 -5.53120E-02 -4.307E-03 3.288E+00 1.202E+05 5 13 1.40506E+04 -1.14251E-01 -4.93948E-02 -8.327E-03 5.777E+00 2.813E+05 5 14 1.30244E+04 -1.14251E-01 -4.42848E-02 -2.061E-03 1.325E+00 8.102E+04 5 15 1.22745E+04 -1.14251E-01 -4.00102E-02 -4.663E-03 2.827E+00 2.064E+05 6 1 1.60040E+03 -8.50907E-02 -6.54490E-01 8.887E-04 7.023E-02 2.314E+06 6 2 3.75569E+03 -8.50907E-02 -3.27727E-01 9.907E-04 1.837E-01 4.684E+05 6 3 5.53204E+03 -8.50907E-02 -2.49816E-01 2.889E-04 7.891E-02 6.296E+04 6 4 8.10496E+03 -8.50907E-02 -1.97524E-01 8.720E-04 3.490E-01 8.854E+04 6 5 1.21719E+04 -8.50907E-02 -1.59957E-01 1.977E-03 1.189E+00 8.902E+04 6 6 1.93803E+04 -8.50907E-02 -1.32111E-01 1.339E-04 1.282E-01 2.378E+03 6 7 3.50200E+04 -8.50907E-02 -1.11112E-01 2.001E-02 3.461E+01 1.088E+05 6 8 9.60958E+04 -8.50907E-02 -9.45736E-02 2.255E-01 1.070E+03 1.629E+05 6 9 2.64435E+05 -8.50907E-02 -8.16446E-02 -7.220E-02 9.428E+02 6.887E+03 6 10 6.48483E+04 -8.50907E-02 -7.10384E-02 -1.181E-01 3.783E+02 1.874E+05 6 11 4.03621E+04 -8.50907E-02 -6.25134E-02 -3.051E-02 6.082E+01 1.249E+05 6 12 3.06013E+04 -8.50907E-02 -5.53120E-02 -1.343E-02 2.030E+01 9.568E+04 6 13 2.55286E+04 -8.50907E-02 -4.93948E-02 -1.089E-02 1.373E+01 1.115E+05 6 14 2.23318E+04 -8.50907E-02 -4.42848E-02 -4.566E-03 5.035E+00 6.107E+04 6 15 2.02142E+04 -8.50907E-02 -4.00102E-02 -5.407E-03 5.397E+00 8.825E+04 7 1 1.57725E+03 -7.67327E-02 -6.54490E-01 7.993E-07 6.226E-05 2.143E+03 7 2 3.63063E+03 -7.67327E-02 -3.27727E-01 4.437E-04 7.954E-02 2.245E+05 7 3 5.26490E+03 -7.67327E-02 -2.49816E-01 2.322E-06 6.037E-04 5.587E+02 7 4 7.54415E+03 -7.67327E-02 -1.97524E-01 1.808E-03 6.736E-01 2.119E+05 7 5 1.09495E+04 -7.67327E-02 -1.59957E-01 6.426E-06 3.475E-03 3.575E+02 7 6 1.64553E+04 -7.67327E-02 -1.32111E-01 7.513E-03 6.105E+00 1.851E+05 7 7 2.65063E+04 -7.67327E-02 -1.11112E-01 2.408E-05 3.152E-02 2.286E+02 7 8 5.10774E+04 -7.67327E-02 -9.45736E-02 7.673E-02 1.935E+02 1.962E+05 7 9 1.85522E+05 -7.67327E-02 -8.16446E-02 2.953E-02 2.705E+02 5.722E+03 7 10 1.60031E+05 -7.67327E-02 -7.10384E-02 -5.763E-02 4.555E+02 1.501E+04 7 11 6.40866E+04 -7.67327E-02 -6.25134E-02 -5.867E-02 1.857E+02 9.528E+04 7 12 4.25414E+04 -7.67327E-02 -5.53120E-02 -4.500E-04 9.453E-01 1.658E+03 7 13 3.33335E+04 -7.67327E-02 -4.93948E-02 -7.820E-03 1.287E+01 4.694E+04 7 14 2.80840E+04 -7.67327E-02 -4.42848E-02 -1.123E-04 1.558E-01 9.500E+02 7 15 2.48149E+04 -7.67327E-02 -4.00102E-02 -2.628E-03 3.220E+00 2.847E+04 8 1 1.54073E+03 -6.30374E-02 -6.54490E-01 4.577E-04 3.482E-02 1.286E+06 8 2 3.44278E+03 -6.30374E-02 -3.27727E-01 1.133E-04 1.927E-02 6.378E+04 8 3 4.87886E+03 -6.30374E-02 -2.49816E-01 8.073E-05 1.945E-02 2.262E+04 8 4 6.77590E+03 -6.30374E-02 -1.97524E-01 2.129E-07 7.123E-05 3.092E+01 8 5 9.40230E+03 -6.30374E-02 -1.59957E-01 4.255E-04 1.976E-01 3.211E+04 8 6 1.31927E+04 -6.30374E-02 -1.32111E-01 3.279E-04 2.136E-01 1.256E+04 8 7 1.89553E+04 -6.30374E-02 -1.11112E-01 1.995E-03 1.868E+00 3.704E+04 8 8 2.88959E+04 -6.30374E-02 -9.45736E-02 5.287E-03 7.545E+00 4.224E+04 8 9 4.89739E+04 -6.30374E-02 -8.16446E-02 1.489E-02 3.600E+01 4.140E+04 8 10 1.13894E+05 -6.30374E-02 -7.10384E-02 3.491E-01 1.964E+03 1.795E+05 8 11 1.73906E+06 -6.30374E-02 -6.25134E-02 -2.365E-02 2.031E+03 5.216E+01 8 12 1.17957E+05 -6.30374E-02 -5.53120E-02 -2.215E-01 1.290E+03 1.062E+05 8 13 6.67957E+04 -6.30374E-02 -4.93948E-02 -7.800E-02 2.573E+02 1.166E+05 8 14 4.85942E+04 -6.30374E-02 -4.42848E-02 -1.737E-02 4.167E+01 4.905E+04 8 15 3.95735E+04 -6.30374E-02 -4.00102E-02 -2.139E-02 4.181E+01 9.111E+04 9 1 1.50737E+03 -4.99480E-02 -6.54490E-01 3.673E-04 2.734E-02 1.078E+06 9 2 3.28055E+03 -4.99480E-02 -3.27727E-01 1.467E-04 2.376E-02 9.090E+04 9 3 4.55934E+03 -4.99480E-02 -2.49816E-01 5.473E-05 1.232E-02 1.756E+04 9 4 6.17490E+03 -4.99480E-02 -1.97524E-01 3.893E-05 1.187E-02 6.809E+03 9 5 8.28357E+03 -4.99480E-02 -1.59957E-01 2.465E-04 1.008E-01 2.396E+04 9 6 1.10910E+04 -4.99480E-02 -1.32111E-01 5.799E-06 3.176E-03 3.144E+02 9 7 1.48987E+04 -4.99480E-02 -1.11112E-01 8.773E-04 6.455E-01 2.636E+04 9 8 2.04203E+04 -4.99480E-02 -9.45736E-02 3.979E-04 4.012E-01 6.364E+03 9 9 2.87497E+04 -4.99480E-02 -8.16446E-02 3.445E-03 4.891E+00 2.780E+04 9 10 4.32077E+04 -4.99480E-02 -7.10384E-02 5.512E-03 1.176E+01 1.969E+04 9 11 7.25219E+04 -4.99480E-02 -6.25134E-02 2.354E-02 8.430E+01 2.985E+04 9 12 1.69886E+05 -4.99480E-02 -5.53120E-02 3.975E-01 3.335E+03 9.187E+04 9 13 1.64727E+06 -4.99480E-02 -4.93948E-02 -4.267E-02 3.471E+03 1.049E+02 9 14 1.60910E+05 -4.99480E-02 -4.42848E-02 -2.591E-01 2.059E+03 6.674E+04 9 15 9.16971E+04 -4.99480E-02 -4.00102E-02 -7.360E-02 3.333E+02 5.838E+04 10 1 1.48406E+03 -4.04532E-02 -6.54490E-01 2.775E-04 2.034E-02 8.405E+05 10 2 3.17212E+03 -4.04532E-02 -3.27727E-01 1.269E-04 1.987E-02 8.409E+04 10 3 4.35257E+03 -4.04532E-02 -2.49816E-01 3.618E-05 7.776E-03 1.274E+04 10 4 5.80163E+03 -4.04532E-02 -1.97524E-01 5.132E-05 1.470E-02 1.017E+04 10 5 7.62542E+03 -4.04532E-02 -1.59957E-01 1.483E-04 5.586E-02 1.701E+04 10 6 9.94206E+03 -4.04532E-02 -1.32111E-01 3.787E-06 1.859E-03 2.555E+02 10 7 1.28967E+04 -4.04532E-02 -1.11112E-01 4.537E-04 2.889E-01 1.819E+04 10 8 1.68378E+04 -4.04532E-02 -9.45736E-02 4.328E-05 3.599E-02 1.018E+03 10 9 2.21228E+04 -4.04532E-02 -8.16446E-02 1.355E-03 1.480E+00 1.846E+04 10 10 2.97944E+04 -4.04532E-02 -7.10384E-02 5.995E-04 8.821E-01 4.505E+03 10 11 4.13082E+04 -4.04532E-02 -6.25134E-02 4.812E-03 9.816E+00 1.881E+04 10 12 6.13284E+04 -4.04532E-02 -5.53120E-02 6.488E-03 1.965E+01 1.151E+04 10 13 1.01913E+05 -4.04532E-02 -4.93948E-02 3.087E-02 1.553E+02 1.982E+04 10 14 2.37829E+05 -4.04532E-02 -4.42848E-02 4.393E-01 5.160E+03 5.181E+04 10 15 2.05703E+06 -4.04532E-02 -4.00102E-02 -5.348E-02 5.433E+03 8.430E+01 3 3 1 3 2 0 :isi,li,ipi,isj,lj,ipj 13 15 195 : ni,nj,ntrs/i,j,wl(A),Ei(Ry),Ej(Ry),f,S,A(/s) 1 1 5.00892E+03 -4.72561E-01 -6.54490E-01 6.065E-01 1.500E+02 1.152E+08 1 2 6.29180E+03 -4.72561E-01 -3.27727E-01 -1.266E-01 5.506E+01 2.986E+07 1 3 4.09108E+03 -4.72561E-01 -2.49816E-01 -1.703E-03 4.816E-01 9.500E+05 1 4 3.31325E+03 -4.72561E-01 -1.97524E-01 -1.233E-02 2.824E+00 1.049E+07 1 5 2.91508E+03 -4.72561E-01 -1.59957E-01 -3.644E-04 7.344E-02 4.005E+05 1 6 2.67665E+03 -4.72561E-01 -1.32111E-01 -4.031E-03 7.460E-01 5.254E+06 1 7 2.52115E+03 -4.72561E-01 -1.11112E-01 -1.473E-04 2.567E-02 2.164E+05 1 8 2.41084E+03 -4.72561E-01 -9.45736E-02 -1.894E-03 3.157E-01 3.043E+06 1 9 2.33110E+03 -4.72561E-01 -8.16446E-02 -7.681E-05 1.238E-02 1.320E+05 1 10 2.26953E+03 -4.72561E-01 -7.10384E-02 -1.064E-03 1.669E-01 1.929E+06 1 11 2.22234E+03 -4.72561E-01 -6.25134E-02 -4.597E-05 7.062E-03 8.691E+04 1 12 2.18399E+03 -4.72561E-01 -5.53120E-02 -6.648E-04 1.004E-01 1.301E+06 1 13 2.15345E+03 -4.72561E-01 -4.93948E-02 -2.999E-05 4.464E-03 6.038E+04 1 14 2.12776E+03 -4.72561E-01 -4.42848E-02 -4.461E-04 6.562E-02 9.201E+05 1 15 2.10673E+03 -4.72561E-01 -4.00102E-02 -2.077E-05 3.025E-03 4.369E+04 2 1 2.33439E+03 -2.64124E-01 -6.54490E-01 2.183E-02 2.516E+00 1.908E+07 2 2 1.43274E+04 -2.64124E-01 -3.27727E-01 9.260E-01 6.552E+02 2.149E+07 2 3 6.36893E+04 -2.64124E-01 -2.49816E-01 -1.912E-04 8.418E-01 4.401E+02 2 4 1.36827E+04 -2.64124E-01 -1.97524E-01 -2.584E-01 2.445E+02 1.289E+07 2 5 8.74814E+03 -2.64124E-01 -1.59957E-01 -1.291E-03 7.811E-01 1.576E+05 2 6 6.90286E+03 -2.64124E-01 -1.32111E-01 -2.660E-02 1.269E+01 5.213E+06 2 7 5.95553E+03 -2.64124E-01 -1.11112E-01 -3.626E-04 1.493E-01 9.547E+04 2 8 5.37461E+03 -2.64124E-01 -9.45736E-02 -8.814E-03 3.275E+00 2.849E+06 2 9 4.99381E+03 -2.64124E-01 -8.16446E-02 -1.593E-04 5.501E-02 5.966E+04 2 10 4.71950E+03 -2.64124E-01 -7.10384E-02 -4.192E-03 1.368E+00 1.758E+06 2 11 4.51994E+03 -2.64124E-01 -6.25134E-02 -8.652E-05 2.704E-02 3.955E+04 2 12 4.36406E+03 -2.64124E-01 -5.53120E-02 -2.383E-03 7.189E-01 1.168E+06 2 13 4.24380E+03 -2.64124E-01 -4.93948E-02 -5.310E-05 1.558E-02 2.753E+04 2 14 4.14515E+03 -2.64124E-01 -4.42848E-02 -1.506E-03 4.316E-01 8.185E+05 2 15 4.06609E+03 -2.64124E-01 -4.00102E-02 -3.527E-05 9.915E-03 1.992E+04 3 1 1.87159E+03 -1.67596E-01 -6.54490E-01 1.673E-02 1.546E+00 2.275E+07 3 2 5.69076E+03 -1.67596E-01 -3.27727E-01 4.525E-03 1.272E+00 6.656E+05 3 3 1.10833E+04 -1.67596E-01 -2.49816E-01 2.929E-04 1.603E-01 1.136E+04 3 4 3.04486E+04 -1.67596E-01 -1.97524E-01 1.193E+00 1.794E+03 6.132E+06 3 5 1.19292E+05 -1.67596E-01 -1.59957E-01 -2.355E-04 1.942E+00 1.545E+02 3 6 2.56803E+04 -1.67596E-01 -1.32111E-01 -3.942E-01 6.999E+02 5.582E+06 3 7 1.61332E+04 -1.67596E-01 -1.11112E-01 -1.002E-03 1.117E+00 3.594E+04 3 8 1.24793E+04 -1.67596E-01 -9.45736E-02 -4.128E-02 3.561E+01 2.475E+06 3 9 1.06021E+04 -1.67596E-01 -8.16446E-02 -3.159E-04 2.315E-01 2.624E+04 3 10 9.43755E+03 -1.67596E-01 -7.10384E-02 -1.375E-02 8.973E+00 1.442E+06 3 11 8.67191E+03 -1.67596E-01 -6.25134E-02 -1.470E-04 8.816E-02 1.826E+04 3 12 8.11573E+03 -1.67596E-01 -5.53120E-02 -6.576E-03 3.690E+00 9.323E+05 3 13 7.70946E+03 -1.67596E-01 -4.93948E-02 -8.271E-05 4.409E-02 1.299E+04 3 14 7.38998E+03 -1.67596E-01 -4.42848E-02 -3.760E-03 1.921E+00 6.430E+05 3 15 7.14239E+03 -1.67596E-01 -4.00102E-02 -5.205E-05 2.570E-02 9.527E+03 4 1 1.84276E+03 -1.59978E-01 -6.54490E-01 2.821E-05 2.567E-03 3.957E+04 4 2 5.43233E+03 -1.59978E-01 -3.27727E-01 1.192E-04 3.198E-02 1.924E+04 4 3 1.01434E+04 -1.59978E-01 -2.49816E-01 1.345E+00 6.735E+02 6.226E+07 4 4 2.42707E+04 -1.59978E-01 -1.97524E-01 1.033E-03 1.238E+00 8.352E+03 4 5 4.34025E+07 -1.59978E-01 -1.59957E-01 -3.604E-04 1.082E+03 1.787E-03 4 6 3.27006E+04 -1.59978E-01 -1.32111E-01 -2.189E-04 4.949E-01 1.912E+03 4 7 1.86483E+04 -1.59978E-01 -1.11112E-01 -6.852E-03 8.834E+00 1.840E+05 4 8 1.39328E+04 -1.59978E-01 -9.45736E-02 -1.458E-05 1.404E-02 7.014E+02 4 9 1.16332E+04 -1.59978E-01 -8.16446E-02 -1.096E-03 8.812E-01 7.560E+04 4 10 1.02459E+04 -1.59978E-01 -7.10384E-02 -4.341E-06 3.075E-03 3.861E+02 4 11 9.34972E+03 -1.59978E-01 -6.25134E-02 -3.644E-04 2.355E-01 3.892E+04 4 12 8.70643E+03 -1.59978E-01 -5.53120E-02 -1.969E-06 1.185E-03 2.426E+02 4 13 8.24056E+03 -1.59978E-01 -4.93948E-02 -1.674E-04 9.539E-02 2.302E+04 4 14 7.87658E+03 -1.59978E-01 -4.42848E-02 -1.092E-06 5.948E-04 1.644E+02 4 15 7.59593E+03 -1.59978E-01 -4.00102E-02 -9.214E-05 4.839E-02 1.491E+04 5 1 1.69100E+03 -1.15597E-01 -6.54490E-01 1.017E-02 8.495E-01 1.695E+07 5 2 4.29580E+03 -1.15597E-01 -3.27727E-01 7.013E-03 1.488E+00 1.811E+06 5 3 6.78940E+03 -1.15597E-01 -2.49816E-01 2.682E-05 8.992E-03 2.772E+03 5 4 1.11229E+04 -1.15597E-01 -1.97524E-01 4.127E-04 2.267E-01 1.589E+04 5 5 2.05425E+04 -1.15597E-01 -1.59957E-01 1.293E-04 1.311E-01 1.459E+03 5 6 5.51815E+04 -1.15597E-01 -1.32111E-01 1.445E+00 3.938E+03 2.261E+06 5 7 2.03181E+05 -1.15597E-01 -1.11112E-01 -3.211E-04 4.510E+00 7.263E+01 5 8 4.33454E+04 -1.15597E-01 -9.45736E-02 -5.324E-01 1.595E+03 2.646E+06 5 9 2.68395E+04 -1.15597E-01 -8.16446E-02 -8.433E-04 1.565E+00 1.093E+04 5 10 2.04510E+04 -1.15597E-01 -7.10384E-02 -5.595E-02 7.911E+01 1.249E+06 5 11 1.71666E+04 -1.15597E-01 -6.25134E-02 -2.815E-04 3.341E-01 8.919E+03 5 12 1.51160E+04 -1.15597E-01 -5.53120E-02 -1.868E-02 1.952E+01 7.632E+05 5 13 1.37649E+04 -1.15597E-01 -4.93948E-02 -1.355E-04 1.290E-01 6.679E+03 5 14 1.27786E+04 -1.15597E-01 -4.42848E-02 -8.962E-03 7.917E+00 5.125E+05 5 15 1.20559E+04 -1.15597E-01 -4.00102E-02 -7.805E-05 6.505E-02 5.014E+03 6 1 1.67698E+03 -1.11092E-01 -6.54490E-01 2.031E-05 1.682E-03 3.440E+04 6 2 4.20646E+03 -1.11092E-01 -3.27727E-01 5.424E-05 1.127E-02 1.460E+04 6 3 6.56892E+03 -1.11092E-01 -2.49816E-01 1.812E-01 5.878E+01 2.001E+07 6 4 1.05432E+04 -1.11092E-01 -1.97524E-01 1.085E-05 5.651E-03 4.652E+02 6 5 1.86487E+04 -1.11092E-01 -1.59957E-01 1.184E+00 1.090E+03 1.622E+07 6 6 4.33545E+04 -1.11092E-01 -1.32111E-01 1.353E-03 2.896E+00 3.429E+03 6 7 4.55694E+07 -1.11092E-01 -1.11112E-01 1.561E-03 3.512E+03 3.581E-03 6 8 5.51668E+04 -1.11092E-01 -9.45736E-02 -3.545E-04 1.352E+00 1.088E+03 6 9 3.09456E+04 -1.11092E-01 -8.16446E-02 -1.850E-02 3.958E+01 1.804E+05 6 10 2.27512E+04 -1.11092E-01 -7.10384E-02 -2.407E-05 3.785E-02 4.342E+02 6 11 1.87586E+04 -1.11092E-01 -6.25134E-02 -3.219E-03 4.174E+00 8.541E+04 6 12 1.63368E+04 -1.11092E-01 -5.53120E-02 -7.248E-06 8.186E-03 2.536E+02 6 13 1.47700E+04 -1.11092E-01 -4.93948E-02 -1.117E-03 1.140E+00 4.780E+04 6 14 1.36403E+04 -1.11092E-01 -4.42848E-02 -3.309E-06 3.120E-03 1.661E+02 6 15 1.28200E+04 -1.11092E-01 -4.00102E-02 -5.257E-04 4.659E-01 2.987E+04 7 1 1.59870E+03 -8.44860E-02 -6.54490E-01 6.427E-03 5.074E-01 1.198E+07 7 2 3.74635E+03 -8.44860E-02 -3.27727E-01 5.137E-03 9.504E-01 1.744E+06 7 3 5.51181E+03 -8.44860E-02 -2.49816E-01 6.900E-06 1.878E-03 1.082E+03 7 4 8.06160E+03 -8.44860E-02 -1.97524E-01 3.119E-03 1.242E+00 2.286E+05 7 5 1.20744E+04 -8.44860E-02 -1.59957E-01 1.491E-05 8.888E-03 4.871E+02 7 6 1.91342E+04 -8.44860E-02 -1.32111E-01 1.785E-04 1.687E-01 2.323E+03 7 7 3.42247E+04 -8.44860E-02 -1.11112E-01 3.647E-05 6.163E-02 1.483E+02 7 8 9.03354E+04 -8.44860E-02 -9.45736E-02 1.690E+00 7.539E+03 9.866E+05 7 9 3.20711E+05 -8.44860E-02 -8.16446E-02 -4.146E-04 9.193E+00 3.764E+01 7 10 6.77643E+04 -8.44860E-02 -7.10384E-02 -6.714E-01 3.146E+03 1.365E+06 7 11 4.14729E+04 -8.44860E-02 -6.25134E-02 -7.476E-04 2.144E+00 4.059E+03 7 12 3.12356E+04 -8.44860E-02 -5.53120E-02 -7.048E-02 1.522E+02 6.745E+05 7 13 2.59685E+04 -8.44860E-02 -4.93948E-02 -2.572E-04 4.618E-01 3.562E+03 7 14 2.26677E+04 -8.44860E-02 -4.42848E-02 -2.353E-02 3.688E+01 4.277E+05 7 15 2.04891E+04 -8.44860E-02 -4.00102E-02 -1.264E-04 1.791E-01 2.812E+03 8 1 1.59070E+03 -8.16182E-02 -6.54490E-01 1.339E-05 1.052E-03 2.520E+04 8 2 3.70270E+03 -8.16182E-02 -3.27727E-01 2.909E-05 5.318E-03 1.011E+04 8 3 5.41783E+03 -8.16182E-02 -2.49816E-01 5.785E-02 1.548E+01 9.390E+06 8 4 7.86214E+03 -8.16182E-02 -1.97524E-01 1.514E-05 5.878E-03 1.167E+03 8 5 1.16324E+04 -8.16182E-02 -1.59957E-01 2.282E-01 1.311E+02 8.035E+06 8 6 1.80475E+04 -8.16182E-02 -1.32111E-01 2.353E-08 2.097E-05 3.441E-01 8 7 3.08969E+04 -8.16182E-02 -1.11112E-01 1.106E+00 1.687E+03 5.520E+06 8 8 7.03388E+04 -8.16182E-02 -9.45736E-02 1.556E-03 5.405E+00 1.498E+03 8 9 3.45113E+07 -8.16182E-02 -8.16446E-02 4.571E-03 7.791E+03 1.829E-02 8 10 8.61328E+04 -8.16182E-02 -7.10384E-02 -4.690E-04 2.792E+00 5.902E+02 8 11 4.76983E+04 -8.16182E-02 -6.25134E-02 -3.361E-02 1.108E+02 1.379E+05 8 12 3.46408E+04 -8.16182E-02 -5.53120E-02 -3.199E-05 7.661E-02 2.489E+02 8 13 2.82797E+04 -8.16182E-02 -4.93948E-02 -6.171E-03 1.207E+01 7.206E+04 8 14 2.44089E+04 -8.16182E-02 -4.42848E-02 -9.695E-06 1.636E-02 1.520E+02 8 15 2.19012E+04 -8.16182E-02 -4.00102E-02 -2.203E-03 3.336E+00 4.289E+04 9 1 1.54434E+03 -6.44220E-02 -6.54490E-01 4.279E-03 3.264E-01 8.548E+06 9 2 3.46088E+03 -6.44220E-02 -3.27727E-01 3.583E-03 6.123E-01 1.425E+06 9 3 4.91530E+03 -6.44220E-02 -2.49816E-01 2.765E-06 6.712E-04 5.453E+02 9 4 6.84638E+03 -6.44220E-02 -1.97524E-01 2.811E-03 9.502E-01 2.857E+05 9 5 9.53857E+03 -6.44220E-02 -1.59957E-01 4.232E-06 1.993E-03 2.216E+02 9 6 1.34626E+04 -6.44220E-02 -1.32111E-01 1.276E-03 8.483E-01 3.354E+04 9 7 1.95174E+04 -6.44220E-02 -1.11112E-01 4.942E-06 4.763E-03 6.181E+01 9 8 3.02228E+04 -6.44220E-02 -9.45736E-02 1.580E-03 2.358E+00 8.241E+03 9 9 5.29111E+04 -6.44220E-02 -8.16446E-02 2.620E-06 6.846E-03 4.459E+00 9 10 1.37728E+05 -6.44220E-02 -7.10384E-02 1.929E+00 1.312E+04 4.846E+05 9 11 4.77455E+05 -6.44220E-02 -6.25134E-02 -5.076E-04 1.676E+01 2.079E+01 9 12 1.00029E+05 -6.44220E-02 -5.53120E-02 -8.110E-01 5.608E+03 7.568E+05 9 13 6.06412E+04 -6.44220E-02 -4.93948E-02 -6.852E-04 2.873E+00 1.740E+03 9 14 4.52529E+04 -6.44220E-02 -4.42848E-02 -8.486E-02 2.655E+02 3.869E+05 9 15 3.73290E+04 -6.44220E-02 -4.00102E-02 -2.399E-04 6.190E-01 1.607E+03 10 1 1.53930E+03 -6.24895E-02 -6.54490E-01 9.040E-06 6.872E-04 1.818E+04 10 2 3.43566E+03 -6.24895E-02 -3.27727E-01 1.751E-05 2.971E-03 7.069E+03 10 3 4.86459E+03 -6.24895E-02 -2.49816E-01 2.626E-02 6.308E+00 5.287E+06 10 4 6.74840E+03 -6.24895E-02 -1.97524E-01 1.101E-05 3.670E-03 1.152E+03 10 5 9.34945E+03 -6.24895E-02 -1.59957E-01 8.427E-02 3.891E+01 4.593E+06 10 6 1.30889E+04 -6.24895E-02 -1.32111E-01 3.688E-06 2.384E-03 1.026E+02 10 7 1.87417E+04 -6.24895E-02 -1.11112E-01 2.449E-01 2.266E+02 3.321E+06 10 8 2.84024E+04 -6.24895E-02 -9.45736E-02 5.213E-06 7.311E-03 3.078E+01 10 9 4.75731E+04 -6.24895E-02 -8.16446E-02 1.069E+00 2.512E+03 2.251E+06 10 10 1.06595E+05 -6.24895E-02 -7.10384E-02 1.732E-03 9.117E+00 7.262E+02 10 11 3.81201E+07 -6.24895E-02 -6.25134E-02 7.867E-03 1.481E+04 2.579E-02 10 12 1.26962E+05 -6.24895E-02 -5.53120E-02 -5.786E-04 5.078E+00 3.352E+02 10 13 6.95905E+04 -6.24895E-02 -4.93948E-02 -5.129E-02 2.467E+02 9.889E+04 10 14 5.00567E+04 -6.24895E-02 -4.42848E-02 -3.937E-05 1.362E-01 1.467E+02 10 15 4.05381E+04 -6.24895E-02 -4.00102E-02 -9.781E-03 2.741E+01 5.558E+04 11 1 1.50934E+03 -5.07370E-02 -6.54490E-01 2.983E-03 2.224E-01 6.239E+06 11 2 3.28989E+03 -5.07370E-02 -3.27727E-01 2.545E-03 4.134E-01 1.120E+06 11 3 4.57741E+03 -5.07370E-02 -2.49816E-01 1.407E-06 3.180E-04 3.198E+02 11 4 6.20809E+03 -5.07370E-02 -1.97524E-01 2.156E-03 6.610E-01 2.665E+05 11 5 8.34341E+03 -5.07370E-02 -1.59957E-01 1.763E-06 7.265E-04 1.207E+02 11 6 1.11985E+04 -5.07370E-02 -1.32111E-01 1.542E-03 8.527E-01 5.858E+04 11 7 1.50935E+04 -5.07370E-02 -1.11112E-01 1.528E-06 1.139E-03 3.195E+01 11 8 2.07878E+04 -5.07370E-02 -9.45736E-02 4.025E-04 4.131E-01 4.437E+03 11 9 2.94836E+04 -5.07370E-02 -8.16446E-02 4.601E-07 6.698E-04 2.521E+00 11 10 4.48869E+04 -5.07370E-02 -7.10384E-02 3.787E-03 8.395E+00 8.955E+03 11 11 7.73808E+04 -5.07370E-02 -6.25134E-02 4.410E-06 1.685E-02 3.509E+00 11 12 1.99184E+05 -5.07370E-02 -5.53120E-02 2.166E+00 2.130E+04 2.601E+05 11 13 6.78936E+05 -5.07370E-02 -4.93948E-02 -5.976E-04 2.805E+01 1.211E+01 11 14 1.41233E+05 -5.07370E-02 -4.42848E-02 -9.514E-01 9.290E+03 4.454E+05 11 15 8.49524E+04 -5.07370E-02 -4.00102E-02 -6.429E-04 3.776E+00 8.318E+02 12 1 1.50594E+03 -4.93750E-02 -6.54490E-01 6.329E-06 4.707E-04 1.330E+04 12 2 3.27379E+03 -4.93750E-02 -3.27727E-01 1.143E-05 1.847E-03 5.079E+03 12 3 4.54631E+03 -4.93750E-02 -2.49816E-01 1.439E-02 3.231E+00 3.318E+06 12 4 6.15102E+03 -4.93750E-02 -1.97524E-01 7.700E-06 2.339E-03 9.696E+02 12 5 8.24065E+03 -4.93750E-02 -1.59957E-01 4.136E-02 1.683E+01 2.902E+06 12 6 1.10142E+04 -4.93750E-02 -1.32111E-01 4.123E-06 2.242E-03 1.619E+02 12 7 1.47605E+04 -4.93750E-02 -1.11112E-01 9.720E-02 7.085E+01 2.125E+06 12 8 2.01614E+04 -4.93750E-02 -9.45736E-02 3.423E-07 3.408E-04 4.012E+00 12 9 2.82392E+04 -4.93750E-02 -8.16446E-02 2.532E-01 3.531E+02 1.513E+06 12 10 4.20648E+04 -4.93750E-02 -7.10384E-02 1.451E-05 3.013E-02 3.906E+01 12 11 6.93590E+04 -4.93750E-02 -6.25134E-02 1.055E+00 3.615E+03 1.045E+06 12 12 1.53490E+05 -4.93750E-02 -5.53120E-02 1.900E-03 1.440E+01 3.842E+02 12 13 4.60238E+07 -4.93750E-02 -4.93948E-02 1.121E-02 2.547E+04 2.521E-02 12 14 1.79024E+05 -4.93750E-02 -4.42848E-02 -6.876E-04 8.510E+00 2.003E+02 12 15 9.73077E+04 -4.93750E-02 -4.00102E-02 -7.090E-02 4.770E+02 6.992E+04 13 1 1.48536E+03 -4.09892E-02 -6.54490E-01 2.160E-03 1.584E-01 4.664E+06 13 2 3.17805E+03 -4.09892E-02 -3.27727E-01 1.859E-03 2.917E-01 8.767E+05 13 3 4.36375E+03 -4.09892E-02 -2.49816E-01 8.260E-07 1.780E-04 2.067E+02 13 4 5.82150E+03 -4.09892E-02 -1.97524E-01 1.625E-03 4.671E-01 2.284E+05 13 5 7.65978E+03 -4.09892E-02 -1.59957E-01 9.093E-07 3.440E-04 7.384E+01 13 6 1.00005E+04 -4.09892E-02 -1.32111E-01 1.321E-03 6.525E-01 6.294E+04 13 7 1.29953E+04 -4.09892E-02 -1.11112E-01 6.653E-07 4.269E-04 1.877E+01 13 8 1.70062E+04 -4.09892E-02 -9.45736E-02 8.100E-04 6.802E-01 1.334E+04 13 9 2.24144E+04 -4.09892E-02 -8.16446E-02 1.642E-07 1.817E-04 1.557E+00 13 10 3.03258E+04 -4.09892E-02 -7.10384E-02 5.305E-05 7.944E-02 2.748E+02 13 11 4.23369E+04 -4.09892E-02 -6.25134E-02 5.212E-07 1.090E-03 1.385E+00 13 12 6.36235E+04 -4.09892E-02 -5.53120E-02 6.430E-03 2.020E+01 7.568E+03 13 13 1.08412E+05 -4.09892E-02 -4.93948E-02 2.819E-05 1.509E-01 1.143E+01 13 14 2.76510E+05 -4.09892E-02 -4.42848E-02 2.401E+00 3.278E+04 1.496E+05 13 15 9.30812E+05 -4.09892E-02 -4.00102E-02 -6.852E-04 4.410E+01 7.385E+00 3 2 1 3 3 0 :isi,li,ipi,isj,lj,ipj 10 7 70 : ni,nj,ntrs/i,j,wl(A),Ei(Ry),Ej(Ry),f,S,A(/s) 1 1 8.41941E+02 -1.33421E+00 -2.51869E-01 -1.459E-03 6.065E-02 9.803E+06 1 2 7.76889E+02 -1.33421E+00 -1.61241E-01 -1.041E-03 3.992E-02 8.214E+06 1 3 7.45529E+02 -1.33421E+00 -1.11901E-01 -6.960E-04 2.562E-02 5.966E+06 1 4 7.27817E+02 -1.33421E+00 -8.21546E-02 -4.771E-04 1.715E-02 4.291E+06 1 5 7.16771E+02 -1.33421E+00 -6.28596E-02 -3.380E-04 1.196E-02 3.134E+06 1 6 7.09395E+02 -1.33421E+00 -4.96399E-02 -2.470E-04 8.653E-03 2.338E+06 1 7 7.04214E+02 -1.33421E+00 -4.01899E-02 -1.855E-04 6.452E-03 1.782E+06 2 1 4.28592E+03 -4.64488E-01 -2.51869E-01 -8.267E-01 1.750E+02 2.144E+08 2 2 3.00503E+03 -4.64488E-01 -1.61241E-01 -1.423E-01 2.111E+01 7.506E+07 2 3 2.58452E+03 -4.64488E-01 -1.11901E-01 -5.026E-02 6.415E+00 3.585E+07 2 4 2.38344E+03 -4.64488E-01 -8.21546E-02 -2.405E-02 2.831E+00 2.017E+07 2 5 2.26893E+03 -4.64488E-01 -6.28596E-02 -1.359E-02 1.522E+00 1.257E+07 2 6 2.19663E+03 -4.64488E-01 -4.96399E-02 -8.513E-03 9.235E-01 8.406E+06 2 7 2.14770E+03 -4.64488E-01 -4.01899E-02 -5.726E-03 6.073E-01 5.914E+06 3 1 1.33284E+05 -2.58706E-01 -2.51869E-01 -7.767E-02 5.112E+02 2.083E+04 3 2 9.34968E+03 -2.58706E-01 -1.61241E-01 -6.733E-01 3.109E+02 3.670E+07 3 3 6.20733E+03 -2.58706E-01 -1.11901E-01 -1.593E-01 4.884E+01 1.970E+07 3 4 5.16148E+03 -2.58706E-01 -8.21546E-02 -6.466E-02 1.648E+01 1.156E+07 3 5 4.65297E+03 -2.58706E-01 -6.28596E-02 -3.349E-02 7.694E+00 7.369E+06 3 6 4.35875E+03 -2.58706E-01 -4.96399E-02 -1.992E-02 4.288E+00 4.995E+06 3 7 4.17025E+03 -2.58706E-01 -4.01899E-02 -1.295E-02 2.668E+00 3.548E+06 4 1 1.04639E+04 -1.64782E-01 -2.51869E-01 1.490E-02 1.078E+01 1.270E+06 4 2 2.57347E+05 -1.64782E-01 -1.61241E-01 -1.421E-01 1.806E+03 1.022E+04 4 3 1.72324E+04 -1.64782E-01 -1.11901E-01 -6.004E-01 5.109E+02 9.632E+06 4 4 1.10286E+04 -1.64782E-01 -8.21546E-02 -1.595E-01 8.685E+01 6.246E+06 4 5 8.94079E+03 -1.64782E-01 -6.28596E-02 -6.887E-02 3.041E+01 4.104E+06 4 6 7.91428E+03 -1.64782E-01 -4.96399E-02 -3.713E-02 1.451E+01 2.824E+06 4 7 7.31400E+03 -1.64782E-01 -4.01899E-02 -2.271E-02 8.204E+00 2.023E+06 5 1 6.62171E+03 -1.14251E-01 -2.51869E-01 2.659E-03 1.217E+00 5.662E+05 5 2 1.93928E+04 -1.14251E-01 -1.61241E-01 3.953E-02 5.300E+01 9.815E+05 5 3 3.87773E+05 -1.14251E-01 -1.11901E-01 -2.265E-01 4.338E+03 7.177E+03 5 4 2.83916E+04 -1.14251E-01 -8.21546E-02 -5.402E-01 7.574E+02 3.193E+06 5 5 1.77319E+04 -1.14251E-01 -6.28596E-02 -1.535E-01 1.344E+02 2.326E+06 5 6 1.41039E+04 -1.14251E-01 -4.96399E-02 -6.893E-02 4.801E+01 1.651E+06 5 7 1.23043E+04 -1.14251E-01 -4.01899E-02 -3.815E-02 2.318E+01 1.201E+06 6 1 5.46394E+03 -8.50907E-02 -2.51869E-01 1.163E-03 4.393E-01 3.637E+05 6 2 1.19667E+04 -8.50907E-02 -1.61241E-01 8.557E-03 7.079E+00 5.580E+05 6 3 3.39894E+04 -8.50907E-02 -1.11901E-01 8.729E-02 2.051E+02 7.055E+05 6 4 3.10367E+05 -8.50907E-02 -8.21546E-02 -4.629E-01 7.094E+03 2.289E+04 6 5 4.09907E+04 -8.50907E-02 -6.28596E-02 -2.868E-01 5.805E+02 8.132E+05 6 6 2.57051E+04 -8.50907E-02 -4.96399E-02 -9.667E-02 1.227E+02 6.970E+05 6 7 2.02951E+04 -8.50907E-02 -4.01899E-02 -4.687E-02 4.698E+01 5.422E+05 7 1 5.20319E+03 -7.67327E-02 -2.51869E-01 3.705E-05 1.333E-02 1.278E+04 7 2 1.07832E+04 -7.67327E-02 -1.61241E-01 1.282E-04 9.556E-02 1.029E+04 7 3 2.59116E+04 -7.67327E-02 -1.11901E-01 5.652E-04 1.013E+00 7.861E+03 7 4 1.68072E+05 -7.67327E-02 -8.21546E-02 1.666E-01 1.935E+03 5.506E+04 7 5 6.56859E+04 -7.67327E-02 -6.28596E-02 -4.759E-01 1.544E+03 5.255E+05 7 6 3.36350E+04 -7.67327E-02 -4.96399E-02 -5.826E-02 9.677E+01 2.453E+05 7 7 2.49370E+04 -7.67327E-02 -4.01899E-02 -1.893E-02 2.332E+01 1.451E+05 8 1 4.82582E+03 -6.30374E-02 -2.51869E-01 2.662E-04 8.881E-02 1.067E+05 8 2 9.27937E+03 -6.30374E-02 -1.61241E-01 1.588E-03 1.019E+00 1.722E+05 8 3 1.86492E+04 -6.30374E-02 -1.11901E-01 7.900E-03 1.019E+01 2.121E+05 8 4 4.76674E+04 -6.30374E-02 -8.21546E-02 5.986E-02 1.973E+02 2.460E+05 8 5 5.12522E+06 -6.30374E-02 -6.28596E-02 -5.914E-02 1.497E+04 1.073E+01 8 6 6.80177E+04 -6.30374E-02 -4.96399E-02 -6.913E-01 2.322E+03 7.119E+05 8 7 3.98848E+04 -6.30374E-02 -4.01899E-02 -1.801E-01 3.548E+02 5.395E+05 9 1 4.51299E+03 -4.99480E-02 -2.51869E-01 1.861E-04 5.806E-02 8.532E+04 9 2 8.18800E+03 -4.99480E-02 -1.61241E-01 9.410E-04 5.326E-01 1.311E+05 9 3 1.47090E+04 -4.99480E-02 -1.11901E-01 3.545E-03 3.605E+00 1.530E+05 9 4 2.82944E+04 -4.99480E-02 -8.21546E-02 1.438E-02 2.812E+01 1.677E+05 9 5 7.05774E+04 -4.99480E-02 -6.28596E-02 9.814E-02 4.789E+02 1.840E+05 9 6 2.95770E+06 -4.99480E-02 -4.96399E-02 -1.773E-01 2.589E+04 9.654E+01 9 7 9.33857E+04 -4.99480E-02 -4.01899E-02 -6.613E-01 3.050E+03 3.613E+05 10 1 4.31031E+03 -4.04532E-02 -2.51869E-01 1.236E-04 3.684E-02 6.213E+04 10 2 7.54436E+03 -4.04532E-02 -1.61241E-01 5.676E-04 2.961E-01 9.312E+04 10 3 1.27543E+04 -4.04532E-02 -1.11901E-01 1.839E-03 1.621E+00 1.055E+05 10 4 2.18522E+04 -4.04532E-02 -8.21546E-02 5.686E-03 8.590E+00 1.112E+05 10 5 4.06699E+04 -4.04532E-02 -6.28596E-02 2.060E-02 5.793E+01 1.163E+05 10 6 9.91942E+04 -4.04532E-02 -4.96399E-02 1.310E-01 8.980E+02 1.243E+05 10 7 3.46095E+06 -4.04532E-02 -4.01899E-02 -2.378E-01 4.064E+04 9.458E+01 3 3 1 3 3 0 :isi,li,ipi,isj,lj,ipj 13 7 91 : ni,nj,ntrs/i,j,wl(A),Ei(Ry),Ej(Ry),f,S,A(/s) 1 1 4.12913E+03 -4.72561E-01 -2.51869E-01 -6.938E-02 1.981E+01 2.714E+07 1 2 2.92711E+03 -4.72561E-01 -1.61241E-01 -1.287E-02 2.605E+00 1.002E+07 1 3 2.52667E+03 -4.72561E-01 -1.11901E-01 -4.693E-03 8.197E-01 4.903E+06 1 4 2.33415E+03 -4.72561E-01 -8.21546E-02 -2.285E-03 3.687E-01 2.797E+06 1 5 2.22422E+03 -4.72561E-01 -6.28596E-02 -1.305E-03 2.006E-01 1.759E+06 1 6 2.15470E+03 -4.72561E-01 -4.96399E-02 -8.233E-04 1.226E-01 1.183E+06 1 7 2.10760E+03 -4.72561E-01 -4.01899E-02 -5.567E-04 8.111E-02 8.359E+05 2 1 7.43587E+04 -2.64124E-01 -2.51869E-01 -1.264E-02 6.497E+01 1.525E+04 2 2 8.85731E+03 -2.64124E-01 -1.61241E-01 -5.186E-02 3.175E+01 4.409E+06 2 3 5.98640E+03 -2.64124E-01 -1.11901E-01 -1.361E-02 5.633E+00 2.533E+06 2 4 5.00780E+03 -2.64124E-01 -8.21546E-02 -5.762E-03 1.995E+00 1.532E+06 2 5 4.52771E+03 -2.64124E-01 -6.28596E-02 -3.056E-03 9.565E-01 9.942E+05 2 6 4.24865E+03 -2.64124E-01 -4.96399E-02 -1.845E-03 5.419E-01 6.816E+05 2 7 4.06935E+03 -2.64124E-01 -4.01899E-02 -1.211E-03 3.408E-01 4.879E+05 3 1 1.08133E+04 -1.67596E-01 -2.51869E-01 3.095E-03 2.314E+00 1.766E+05 3 2 1.43394E+05 -1.67596E-01 -1.61241E-01 -2.344E-02 2.324E+02 7.603E+03 3 3 1.63617E+04 -1.67596E-01 -1.11901E-01 -4.410E-02 4.988E+01 1.099E+06 3 4 1.06654E+04 -1.67596E-01 -8.21546E-02 -1.298E-02 9.571E+00 7.611E+05 3 5 8.70058E+03 -1.67596E-01 -6.28596E-02 -5.848E-03 3.517E+00 5.152E+05 3 6 7.72548E+03 -1.67596E-01 -4.96399E-02 -3.227E-03 1.723E+00 3.606E+05 3 7 7.15246E+03 -1.67596E-01 -4.01899E-02 -2.003E-03 9.906E-01 2.612E+05 4 1 9.91683E+03 -1.59978E-01 -2.51869E-01 8.224E-02 5.638E+01 5.578E+06 4 2 7.21514E+05 -1.59978E-01 -1.61241E-01 1.885E-03 9.401E+01 2.415E+01 4 3 1.89543E+04 -1.59978E-01 -1.11901E-01 -6.500E-04 8.518E-01 1.207E+04 4 4 1.17094E+04 -1.59978E-01 -8.21546E-02 -9.867E-05 7.987E-02 4.800E+03 4 5 9.38305E+03 -1.59978E-01 -6.28596E-02 -3.202E-05 2.077E-02 2.426E+03 4 6 8.25886E+03 -1.59978E-01 -4.96399E-02 -1.449E-05 8.274E-03 1.417E+03 4 7 7.60733E+03 -1.59978E-01 -4.01899E-02 -7.886E-06 4.147E-03 9.088E+02 5 1 6.68712E+03 -1.15597E-01 -2.51869E-01 4.810E-04 2.223E-01 7.174E+04 5 2 1.99647E+04 -1.15597E-01 -1.61241E-01 7.200E-03 9.938E+00 1.205E+05 5 3 2.46555E+05 -1.15597E-01 -1.11901E-01 -3.289E-02 5.606E+02 3.609E+03 5 4 2.72489E+04 -1.15597E-01 -8.21546E-02 -4.023E-02 7.579E+01 3.614E+05 5 5 1.72793E+04 -1.15597E-01 -6.28596E-02 -1.245E-02 1.488E+01 2.782E+05 5 6 1.38161E+04 -1.15597E-01 -4.96399E-02 -5.790E-03 5.531E+00 2.023E+05 5 7 1.20846E+04 -1.15597E-01 -4.01899E-02 -3.266E-03 2.729E+00 1.492E+05 6 1 6.47312E+03 -1.11092E-01 -2.51869E-01 1.180E-02 5.283E+00 1.879E+06 6 2 1.81712E+04 -1.11092E-01 -1.61241E-01 7.014E-02 8.812E+01 1.417E+06 6 3 1.12641E+06 -1.11092E-01 -1.11901E-01 3.867E-03 3.011E+02 2.033E+01 6 4 3.14910E+04 -1.11092E-01 -8.21546E-02 -1.907E-03 4.151E+00 1.282E+04 6 5 1.88933E+04 -1.11092E-01 -6.28596E-02 -3.200E-04 4.180E-01 5.980E+03 6 6 1.48289E+04 -1.11092E-01 -4.96399E-02 -1.096E-04 1.124E-01 3.325E+03 6 7 1.28525E+04 -1.11092E-01 -4.01899E-02 -5.129E-05 4.557E-02 2.071E+03 7 1 5.44420E+03 -8.44860E-02 -2.51869E-01 1.654E-04 6.225E-02 3.722E+04 7 2 1.18724E+04 -8.44860E-02 -1.61241E-01 1.209E-03 9.924E-01 5.721E+04 7 3 3.32397E+04 -8.44860E-02 -1.11901E-01 1.191E-02 2.737E+01 7.189E+04 7 4 3.90867E+05 -8.44860E-02 -8.21546E-02 -4.156E-02 1.123E+03 1.814E+03 7 5 4.21368E+04 -8.44860E-02 -6.28596E-02 -3.824E-02 1.114E+02 1.437E+05 7 6 2.61512E+04 -8.44860E-02 -4.96399E-02 -1.212E-02 2.192E+01 1.182E+05 7 7 2.05722E+04 -8.44860E-02 -4.01899E-02 -5.733E-03 8.154E+00 9.036E+04 8 1 5.35250E+03 -8.16182E-02 -2.51869E-01 3.885E-03 1.438E+00 9.045E+05 8 2 1.14448E+04 -8.16182E-02 -1.61241E-01 1.438E-02 1.138E+01 7.323E+05 8 3 3.00919E+04 -8.16182E-02 -1.11901E-01 6.410E-02 1.333E+02 4.721E+05 8 4 1.69884E+06 -8.16182E-02 -8.21546E-02 5.786E-03 6.795E+02 1.337E+01 8 5 4.85786E+04 -8.16182E-02 -6.28596E-02 -3.559E-03 1.195E+01 1.006E+04 8 6 2.84964E+04 -8.16182E-02 -4.96399E-02 -6.333E-04 1.248E+00 5.202E+03 8 7 2.19962E+04 -8.16182E-02 -4.01899E-02 -2.240E-04 3.406E-01 3.088E+03 9 1 4.86147E+03 -6.44220E-02 -2.51869E-01 7.852E-05 2.639E-02 2.216E+04 9 2 9.41207E+03 -6.44220E-02 -1.61241E-01 4.314E-04 2.807E-01 3.248E+04 9 3 1.91931E+04 -6.44220E-02 -1.11901E-01 2.081E-03 2.762E+00 3.769E+04 9 4 5.13894E+04 -6.44220E-02 -8.21546E-02 1.703E-02 6.050E+01 4.301E+04 9 5 5.83250E+05 -6.44220E-02 -6.28596E-02 -4.976E-02 2.007E+03 9.757E+02 9 6 6.16467E+04 -6.44220E-02 -4.96399E-02 -3.728E-02 1.589E+02 6.542E+04 9 7 3.76058E+04 -6.44220E-02 -4.01899E-02 -1.195E-02 3.107E+01 5.637E+04 10 1 4.81186E+03 -6.24895E-02 -2.51869E-01 1.796E-03 5.975E-01 5.174E+05 10 2 9.22788E+03 -6.24895E-02 -1.61241E-01 5.457E-03 3.481E+00 4.274E+05 10 3 1.84424E+04 -6.24895E-02 -1.11901E-01 1.507E-02 1.921E+01 2.955E+05 10 4 4.63393E+04 -6.24895E-02 -8.21546E-02 6.100E-02 1.954E+02 1.895E+05 10 5 2.46219E+06 -6.24895E-02 -6.28596E-02 7.581E-03 1.290E+03 8.341E+00 10 6 7.09179E+04 -6.24895E-02 -4.96399E-02 -5.481E-03 2.687E+01 7.269E+03 10 7 4.08647E+04 -6.24895E-02 -4.01899E-02 -1.014E-03 2.864E+00 4.049E+03 11 1 4.53069E+03 -5.07370E-02 -2.51869E-01 4.431E-05 1.388E-02 1.440E+04 11 2 8.24646E+03 -5.07370E-02 -1.61241E-01 2.090E-04 1.192E-01 2.050E+04 11 3 1.48987E+04 -5.07370E-02 -1.11901E-01 7.586E-04 7.813E-01 2.279E+04 11 4 2.90050E+04 -5.07370E-02 -8.21546E-02 3.048E-03 6.112E+00 2.417E+04 11 5 7.51709E+04 -5.07370E-02 -6.28596E-02 2.242E-02 1.165E+02 2.647E+04 11 6 8.30613E+05 -5.07370E-02 -4.96399E-02 -5.762E-02 3.309E+03 5.570E+02 11 7 8.63998E+04 -5.07370E-02 -4.01899E-02 -3.692E-02 2.206E+02 3.299E+04 12 1 4.50022E+03 -4.93750E-02 -2.51869E-01 9.962E-04 3.099E-01 3.281E+05 12 2 8.14606E+03 -4.93750E-02 -1.61241E-01 2.722E-03 1.533E+00 2.736E+05 12 3 1.45742E+04 -4.93750E-02 -1.11901E-01 6.138E-03 6.185E+00 1.927E+05 12 4 2.77998E+04 -4.93750E-02 -8.21546E-02 1.531E-02 2.942E+01 1.321E+05 12 5 6.75784E+04 -4.93750E-02 -6.28596E-02 5.948E-02 2.779E+02 8.686E+04 12 6 3.44007E+06 -4.93750E-02 -4.96399E-02 9.314E-03 2.215E+03 5.250E+00 12 7 9.92114E+04 -4.93750E-02 -4.01899E-02 -7.600E-03 5.213E+01 5.150E+03 13 1 4.32126E+03 -4.09892E-02 -2.51869E-01 2.783E-05 8.315E-03 9.942E+03 13 2 7.57799E+03 -4.09892E-02 -1.61241E-01 1.196E-04 6.264E-02 1.389E+04 13 3 1.28507E+04 -4.09892E-02 -1.11901E-01 3.724E-04 3.309E-01 1.504E+04 13 4 2.21367E+04 -4.09892E-02 -8.21546E-02 1.126E-03 1.723E+00 1.532E+04 13 5 4.16667E+04 -4.09892E-02 -6.28596E-02 4.079E-03 1.175E+01 1.567E+04 13 6 1.05340E+05 -4.09892E-02 -4.96399E-02 2.802E-02 2.041E+02 1.684E+04 13 7 1.14008E+06 -4.09892E-02 -4.01899E-02 -6.533E-02 5.149E+03 3.353E+02 3 4 1 3 3 0 :isi,li,ipi,isj,lj,ipj 6 7 42 : ni,nj,ntrs/i,j,wl(A),Ei(Ry),Ej(Ry),f,S,A(/s) 1 1 9.92839E+03 -1.60085E-01 -2.51869E-01 1.238E+00 8.495E+02 6.513E+07 1 2 7.88292E+05 -1.60085E-01 -1.61241E-01 2.653E-02 1.446E+03 2.215E+02 1 3 1.89122E+04 -1.60085E-01 -1.11901E-01 -9.011E-03 1.515E+01 2.160E+05 1 4 1.16933E+04 -1.60085E-01 -8.21546E-02 -1.426E-03 1.482E+00 8.943E+04 1 5 9.37273E+03 -1.60085E-01 -6.28596E-02 -4.752E-04 3.959E-01 4.639E+04 1 6 8.25086E+03 -1.60085E-01 -4.96399E-02 -2.189E-04 1.605E-01 2.757E+04 1 7 7.60054E+03 -1.60085E-01 -4.01899E-02 -1.207E-04 8.152E-02 1.791E+04 2 1 6.47777E+03 -1.11193E-01 -2.51869E-01 1.762E-01 7.893E+01 2.179E+07 2 2 1.82079E+04 -1.11193E-01 -1.61241E-01 1.062E+00 1.337E+03 1.662E+07 2 3 1.28710E+06 -1.11193E-01 -1.11901E-01 5.176E-02 4.606E+03 1.621E+02 2 4 3.13815E+04 -1.11193E-01 -8.21546E-02 -2.379E-02 6.637E+01 2.072E+05 2 5 1.88538E+04 -1.11193E-01 -6.28596E-02 -4.078E-03 6.834E+00 9.838E+04 2 6 1.48046E+04 -1.11193E-01 -4.96399E-02 -1.414E-03 1.860E+00 5.531E+04 2 7 1.28342E+04 -1.11193E-01 -4.01899E-02 -6.667E-04 7.605E-01 3.471E+04 3 1 5.35501E+03 -8.16980E-02 -2.51869E-01 5.757E-02 2.131E+01 1.041E+07 3 2 1.14563E+04 -8.16980E-02 -1.61241E-01 2.159E-01 1.710E+02 8.532E+06 3 3 3.01714E+04 -8.16980E-02 -1.11901E-01 9.762E-01 2.036E+03 5.563E+06 3 4 1.99576E+06 -8.16980E-02 -8.21546E-02 7.481E-02 1.032E+04 9.743E+01 3 5 4.83729E+04 -8.16980E-02 -6.28596E-02 -4.252E-02 1.828E+02 1.558E+05 3 6 2.84255E+04 -8.16980E-02 -4.96399E-02 -7.670E-03 1.938E+01 8.141E+04 3 7 2.19540E+04 -8.16980E-02 -4.01899E-02 -2.734E-03 5.335E+00 4.864E+04 4 1 4.81339E+03 -6.25497E-02 -2.51869E-01 2.648E-02 8.812E+00 5.929E+06 4 2 9.23351E+03 -6.25497E-02 -1.61241E-01 8.148E-02 5.201E+01 4.958E+06 4 3 1.84649E+04 -6.25497E-02 -1.11901E-01 2.272E-01 2.900E+02 3.457E+06 4 4 4.64816E+04 -6.25497E-02 -8.21546E-02 9.329E-01 2.998E+03 2.240E+06 4 5 2.94052E+06 -6.25497E-02 -6.28596E-02 9.629E-02 1.957E+04 5.777E+01 4 6 7.05872E+04 -6.25497E-02 -4.96399E-02 -6.415E-02 4.025E+02 1.104E+05 4 7 4.07547E+04 -6.25497E-02 -4.01899E-02 -1.199E-02 4.343E+01 6.190E+04 5 1 4.50123E+03 -4.94206E-02 -2.51869E-01 1.463E-02 4.552E+00 3.746E+06 5 2 8.14938E+03 -4.94206E-02 -1.61241E-01 4.048E-02 2.281E+01 3.162E+06 5 3 1.45848E+04 -4.94206E-02 -1.11901E-01 9.210E-02 9.286E+01 2.246E+06 5 4 2.78385E+04 -4.94206E-02 -8.21546E-02 2.317E-01 4.460E+02 1.551E+06 5 5 6.78076E+04 -4.94206E-02 -6.28596E-02 9.129E-01 4.279E+03 1.030E+06 5 6 4.15534E+06 -4.94206E-02 -4.96399E-02 1.166E-01 3.350E+04 3.504E+01 5 7 9.87214E+04 -4.94206E-02 -4.01899E-02 -8.785E-02 7.709E+02 7.730E+04 6 1 4.30168E+03 -4.00291E-02 -2.51869E-01 9.052E-03 2.692E+00 2.538E+06 6 2 7.51797E+03 -4.00291E-02 -1.61241E-01 2.347E-02 1.220E+01 2.154E+06 6 3 1.26790E+04 -4.00291E-02 -1.11901E-01 4.781E-02 4.191E+01 1.543E+06 6 4 2.16322E+04 -4.00291E-02 -8.21546E-02 9.771E-02 1.461E+02 1.083E+06 6 5 3.99145E+04 -4.00291E-02 -6.28596E-02 2.348E-01 6.478E+02 7.644E+05 6 6 9.48170E+04 -4.00291E-02 -4.96399E-02 9.067E-01 5.943E+03 5.232E+05 6 7 5.66714E+06 -4.00291E-02 -4.01899E-02 1.361E-01 5.334E+04 2.199E+01 3 3 1 3 4 0 :isi,li,ipi,isj,lj,ipj 13 11 143 : ni,nj,ntrs/i,j,wl(A),Ei(Ry),Ej(Ry),f,S,A(/s) 1 1 4.10155E+03 -4.72561E-01 -2.50385E-01 -7.890E-01 2.237E+02 2.433E+08 1 2 2.91849E+03 -4.72561E-01 -1.60322E-01 -1.541E-01 3.109E+01 9.385E+07 1 3 2.52278E+03 -4.72561E-01 -1.11345E-01 -5.710E-02 9.958E+00 4.654E+07 1 4 2.52111E+03 -4.72561E-01 -1.11107E-01 -8.595E-04 1.498E-01 7.015E+05 1 5 2.33202E+03 -4.72561E-01 -8.17987E-02 -2.814E-02 4.537E+00 2.685E+07 1 6 2.33100E+03 -4.72561E-01 -8.16278E-02 -6.571E-04 1.059E-01 6.274E+05 1 7 2.22292E+03 -4.72561E-01 -6.26198E-02 -1.620E-02 2.490E+00 1.701E+07 1 8 2.22225E+03 -4.72561E-01 -6.24957E-02 -4.537E-04 6.970E-02 4.766E+05 1 9 2.15384E+03 -4.72561E-01 -4.94710E-02 -1.030E-02 1.533E+00 1.151E+07 1 10 2.15337E+03 -4.72561E-01 -4.93792E-02 -3.169E-04 4.718E-02 3.545E+05 1 11 2.10700E+03 -4.72561E-01 -4.00666E-02 -6.995E-03 1.019E+00 8.174E+06 2 1 6.63269E+04 -2.64124E-01 -2.50385E-01 -1.694E-01 7.769E+02 1.998E+05 2 2 8.77890E+03 -2.64124E-01 -1.60322E-01 -5.681E-01 3.448E+02 3.824E+07 2 3 5.96461E+03 -2.64124E-01 -1.11345E-01 -1.525E-01 6.289E+01 2.224E+07 2 4 5.95533E+03 -2.64124E-01 -1.11107E-01 -2.280E-03 9.389E-01 3.336E+05 2 5 4.99803E+03 -2.64124E-01 -8.17987E-02 -6.519E-02 2.253E+01 1.354E+07 2 6 4.99335E+03 -2.64124E-01 -8.16278E-02 -1.526E-03 5.267E-01 3.174E+05 2 7 4.52232E+03 -2.64124E-01 -6.26198E-02 -3.476E-02 1.087E+01 8.818E+06 2 8 4.51954E+03 -2.64124E-01 -6.24957E-02 -9.800E-04 3.062E-01 2.489E+05 2 9 4.24530E+03 -2.64124E-01 -4.94710E-02 -2.107E-02 6.183E+00 6.064E+06 2 10 4.24349E+03 -2.64124E-01 -4.93792E-02 -6.552E-04 1.922E-01 1.888E+05 2 11 4.06711E+03 -2.64124E-01 -4.00666E-02 -1.388E-02 3.902E+00 4.352E+06 3 1 1.10071E+04 -1.67596E-01 -2.50385E-01 2.817E-02 2.757E+01 1.994E+06 3 2 1.25277E+05 -1.67596E-01 -1.60322E-01 -3.129E-01 2.710E+03 1.034E+05 3 3 1.62000E+04 -1.67596E-01 -1.11345E-01 -4.659E-01 5.218E+02 9.209E+06 3 4 1.61318E+04 -1.67596E-01 -1.11107E-01 -5.271E-03 5.879E+00 1.051E+05 3 5 1.06212E+04 -1.67596E-01 -8.17987E-02 -1.411E-01 1.036E+02 6.491E+06 3 6 1.06000E+04 -1.67596E-01 -8.16278E-02 -2.845E-03 2.085E+00 1.313E+05 3 7 8.68070E+03 -1.67596E-01 -6.26198E-02 -6.433E-02 3.861E+01 4.429E+06 3 8 8.67045E+03 -1.67596E-01 -6.24957E-02 -1.622E-03 9.725E-01 1.120E+05 3 9 7.71443E+03 -1.67596E-01 -4.94710E-02 -3.570E-02 1.904E+01 3.112E+06 3 10 7.70844E+03 -1.67596E-01 -4.93792E-02 -1.011E-03 5.390E-01 8.830E+04 3 11 7.14555E+03 -1.67596E-01 -4.00666E-02 -2.225E-02 1.099E+01 2.261E+06 4 1 1.00796E+04 -1.59978E-01 -2.50385E-01 1.041E-03 9.331E-01 8.791E+04 4 2 2.64908E+06 -1.59978E-01 -1.60322E-01 1.336E-05 3.146E+00 1.632E-02 4 3 1.87376E+04 -1.59978E-01 -1.11345E-01 -2.277E-02 2.950E+01 3.365E+05 4 4 1.86464E+04 -1.59978E-01 -1.11107E-01 -1.654E+00 2.132E+03 2.468E+07 4 5 1.16561E+04 -1.59978E-01 -8.17987E-02 -4.066E-03 3.277E+00 1.553E+05 4 6 1.16307E+04 -1.59978E-01 -8.16278E-02 -1.974E-01 1.587E+02 7.571E+06 4 7 9.35994E+03 -1.59978E-01 -6.26198E-02 -1.407E-03 9.102E-01 8.329E+04 4 8 9.34803E+03 -1.59978E-01 -6.24957E-02 -5.838E-02 3.773E+01 3.466E+06 4 9 8.24624E+03 -1.59978E-01 -4.94710E-02 -6.557E-04 3.738E-01 5.002E+04 4 10 8.23939E+03 -1.59978E-01 -4.93792E-02 -2.520E-02 1.435E+01 1.926E+06 4 11 7.59950E+03 -1.59978E-01 -4.00666E-02 -3.624E-04 1.904E-01 3.255E+04 5 1 6.76074E+03 -1.15597E-01 -2.50385E-01 4.522E-03 2.718E+00 8.484E+05 5 2 2.03749E+04 -1.15597E-01 -1.60322E-01 6.874E-02 1.245E+02 1.420E+06 5 3 2.14315E+05 -1.15597E-01 -1.11345E-01 -4.377E-01 6.485E+03 4.944E+04 5 4 2.02955E+05 -1.15597E-01 -1.11107E-01 -6.648E-03 9.327E+01 8.372E+02 5 5 2.69619E+04 -1.15597E-01 -8.17987E-02 -4.144E-01 7.725E+02 2.957E+06 5 6 2.68263E+04 -1.15597E-01 -8.16278E-02 -8.095E-03 1.501E+01 5.836E+04 5 7 1.72011E+04 -1.15597E-01 -6.26198E-02 -1.326E-01 1.577E+02 2.325E+06 5 8 1.71609E+04 -1.15597E-01 -6.24957E-02 -3.286E-03 3.899E+00 5.789E+04 5 9 1.37808E+04 -1.15597E-01 -4.94710E-02 -6.248E-02 5.952E+01 1.707E+06 5 10 1.37617E+04 -1.15597E-01 -4.93792E-02 -1.747E-03 1.662E+00 4.785E+04 5 11 1.20649E+04 -1.15597E-01 -4.00666E-02 -3.549E-02 2.960E+01 1.265E+06 6 1 6.54209E+03 -1.11092E-01 -2.50385E-01 1.378E-04 8.014E-02 2.761E+04 6 2 1.85104E+04 -1.11092E-01 -1.60322E-01 9.626E-04 1.584E+00 2.409E+04 6 3 3.60186E+06 -1.11092E-01 -1.11345E-01 3.722E-05 1.192E+01 2.460E-02 6 4 6.07592E+07 -1.11092E-01 -1.11107E-01 4.807E-04 2.596E+03 1.117E-03 6 5 3.11084E+04 -1.11092E-01 -8.17987E-02 -3.207E-02 6.897E+01 1.719E+05 6 6 3.09279E+04 -1.11092E-01 -8.16278E-02 -1.461E+00 3.125E+03 7.926E+06 6 7 1.87998E+04 -1.11092E-01 -6.26198E-02 -6.648E-03 8.640E+00 9.757E+04 6 8 1.87518E+04 -1.11092E-01 -6.24957E-02 -2.589E-01 3.356E+02 3.819E+06 6 9 1.47883E+04 -1.11092E-01 -4.94710E-02 -2.515E-03 2.572E+00 5.966E+04 6 10 1.47663E+04 -1.11092E-01 -4.93792E-02 -9.038E-02 9.227E+01 2.150E+06 6 11 1.28302E+04 -1.11092E-01 -4.00666E-02 -1.243E-03 1.103E+00 3.918E+04 7 1 5.49290E+03 -8.44860E-02 -2.50385E-01 1.587E-03 7.750E-01 4.512E+05 7 2 1.20163E+04 -8.44860E-02 -1.60322E-01 1.153E-02 1.232E+01 6.850E+05 7 3 3.39278E+04 -8.44860E-02 -1.11345E-01 1.139E-01 3.436E+02 8.487E+05 7 4 3.42311E+04 -8.44860E-02 -1.11107E-01 1.817E-03 5.530E+00 1.330E+04 7 5 3.39102E+05 -8.44860E-02 -8.17987E-02 -5.419E-01 1.270E+04 2.445E+04 7 6 3.18826E+05 -8.44860E-02 -8.16278E-02 -1.329E-02 2.928E+02 6.780E+02 7 7 4.16747E+04 -8.44860E-02 -6.26198E-02 -3.870E-01 1.115E+03 1.156E+06 7 8 4.14395E+04 -8.44860E-02 -6.24957E-02 -9.505E-03 2.723E+01 2.871E+04 7 9 2.60250E+04 -8.44860E-02 -4.94710E-02 -1.271E-01 2.288E+02 9.738E+05 7 10 2.59570E+04 -8.44860E-02 -4.93792E-02 -3.556E-03 6.382E+00 2.738E+04 7 11 2.05151E+04 -8.44860E-02 -4.00666E-02 -6.100E-02 8.652E+01 7.519E+05 8 1 5.39956E+03 -8.16182E-02 -2.50385E-01 4.315E-05 2.071E-02 1.269E+04 8 2 1.15784E+04 -8.16182E-02 -1.60322E-01 1.834E-04 1.888E-01 1.173E+04 8 3 3.06547E+04 -8.16182E-02 -1.11345E-01 4.326E-04 1.179E+00 3.948E+03 8 4 3.09021E+04 -8.16182E-02 -1.11107E-01 6.441E-03 1.769E+01 5.784E+04 8 5 5.04842E+06 -8.16182E-02 -8.17987E-02 2.016E-04 9.045E+01 6.782E-02 8 6 9.48861E+07 -8.16182E-02 -8.16278E-02 8.974E-04 7.569E+03 8.548E-04 8 7 4.79655E+04 -8.16182E-02 -6.26198E-02 -3.613E-02 1.198E+02 8.147E+04 8 8 4.76542E+04 -8.16182E-02 -6.24957E-02 -1.358E+00 4.473E+03 3.101E+06 8 9 2.83467E+04 -8.16182E-02 -4.94710E-02 -8.114E-03 1.590E+01 5.239E+04 8 10 2.82660E+04 -8.16182E-02 -4.93792E-02 -2.827E-01 5.525E+02 1.836E+06 8 11 2.19310E+04 -8.16182E-02 -4.00666E-02 -3.237E-03 4.907E+00 3.491E+04 9 1 4.90026E+03 -6.44220E-02 -2.50385E-01 7.626E-04 3.322E-01 2.723E+05 9 2 9.50226E+03 -6.44220E-02 -1.60322E-01 4.141E-03 3.497E+00 3.933E+05 9 3 1.94205E+04 -6.44220E-02 -1.11345E-01 1.965E-02 3.392E+01 4.468E+05 9 4 1.95195E+04 -6.44220E-02 -1.11107E-01 3.147E-04 5.461E-01 7.084E+03 9 5 5.24419E+04 -6.44220E-02 -8.17987E-02 1.627E-01 7.584E+02 5.073E+05 9 6 5.29628E+04 -6.44220E-02 -8.16278E-02 4.074E-03 1.918E+01 1.246E+04 9 7 5.05642E+05 -6.44220E-02 -6.26198E-02 -6.490E-01 2.269E+04 1.317E+04 9 8 4.73067E+05 -6.44220E-02 -6.24957E-02 -1.928E-02 6.304E+02 4.468E+02 9 9 6.09502E+04 -6.44220E-02 -4.94710E-02 -3.724E-01 1.569E+03 5.200E+05 9 10 6.05783E+04 -6.44220E-02 -4.93792E-02 -1.030E-02 4.314E+01 1.456E+04 9 11 3.74154E+04 -6.44220E-02 -4.00666E-02 -1.240E-01 3.206E+02 4.593E+05 10 1 4.84986E+03 -6.24895E-02 -2.50385E-01 1.932E-05 8.330E-03 7.045E+03 10 2 9.31456E+03 -6.24895E-02 -1.60322E-01 6.693E-05 5.541E-02 6.615E+03 10 3 1.86523E+04 -6.24895E-02 -1.11345E-01 1.119E-04 1.856E-01 2.759E+03 10 4 1.87436E+04 -6.24895E-02 -1.11107E-01 9.415E-04 1.569E+00 2.298E+04 10 5 4.71934E+04 -6.24895E-02 -8.17987E-02 1.129E-04 4.737E-01 4.348E+02 10 6 4.76148E+04 -6.24895E-02 -8.16278E-02 1.703E-02 7.208E+01 6.441E+04 10 7 6.99364E+06 -6.24895E-02 -6.26198E-02 4.252E-04 2.643E+02 7.455E-02 10 8 1.46917E+08 -6.24895E-02 -6.24957E-02 1.240E-03 1.619E+04 4.927E-04 10 9 6.99979E+04 -6.24895E-02 -4.94710E-02 -3.819E-02 1.848E+02 4.043E+04 10 10 6.95077E+04 -6.24895E-02 -4.93792E-02 -1.301E+00 6.252E+03 1.397E+06 10 11 4.06400E+04 -6.24895E-02 -4.00666E-02 -8.995E-03 2.527E+01 2.825E+04 11 1 4.56437E+03 -5.07370E-02 -2.50385E-01 4.337E-04 1.760E-01 1.785E+05 11 2 8.31562E+03 -5.07370E-02 -1.60322E-01 2.017E-03 1.491E+00 2.501E+05 11 3 1.50354E+04 -5.07370E-02 -1.11345E-01 7.163E-03 9.573E+00 2.717E+05 11 4 1.50947E+04 -5.07370E-02 -1.11107E-01 1.153E-04 1.547E-01 4.341E+03 11 5 2.93373E+04 -5.07370E-02 -8.17987E-02 2.860E-02 7.457E+01 2.849E+05 11 6 2.94996E+04 -5.07370E-02 -8.16278E-02 7.156E-04 1.876E+00 7.051E+03 11 7 7.66879E+04 -5.07370E-02 -6.26198E-02 2.139E-01 1.458E+03 3.118E+05 11 8 7.74973E+04 -5.07370E-02 -6.24957E-02 6.474E-03 4.460E+01 9.244E+03 11 9 7.19799E+05 -5.07370E-02 -4.94710E-02 -7.457E-01 3.711E+04 7.467E+03 11 10 6.71134E+05 -5.07370E-02 -4.93792E-02 -2.480E-02 1.150E+03 2.856E+02 11 11 8.54014E+04 -5.07370E-02 -4.00666E-02 -3.652E-01 2.156E+03 2.598E+05 12 1 4.53344E+03 -4.93750E-02 -2.50385E-01 1.049E-05 4.228E-03 4.378E+03 12 2 8.21354E+03 -4.93750E-02 -1.60322E-01 3.253E-05 2.375E-02 4.135E+03 12 3 1.47050E+04 -4.93750E-02 -1.11345E-01 4.748E-05 6.206E-02 1.883E+03 12 4 1.47617E+04 -4.93750E-02 -1.11107E-01 2.944E-04 3.863E-01 1.159E+04 12 5 2.81050E+04 -4.93750E-02 -8.17987E-02 4.596E-05 1.148E-01 4.990E+02 12 6 2.82539E+04 -4.93750E-02 -8.16278E-02 2.746E-03 6.896E+00 2.950E+04 12 7 6.88019E+04 -4.93750E-02 -6.26198E-02 1.689E-06 1.033E-02 3.059E+00 12 8 6.94526E+04 -4.93750E-02 -6.24957E-02 3.069E-02 1.894E+02 5.455E+04 12 9 9.49266E+06 -4.93750E-02 -4.94710E-02 6.678E-04 5.635E+02 6.355E-02 12 10 2.17051E+08 -4.93750E-02 -4.93792E-02 1.534E-03 2.960E+04 2.792E-04 12 11 9.78973E+04 -4.93750E-02 -4.00666E-02 -3.945E-02 2.670E+02 2.135E+04 13 1 4.35189E+03 -4.09892E-02 -2.50385E-01 2.738E-04 1.059E-01 1.240E+05 13 2 7.63635E+03 -4.09892E-02 -1.60322E-01 1.158E-03 7.861E-01 1.703E+05 13 3 1.29523E+04 -4.09892E-02 -1.11345E-01 3.524E-03 4.057E+00 1.801E+05 13 4 1.29962E+04 -4.09892E-02 -1.11107E-01 5.696E-05 6.580E-02 2.892E+03 13 5 2.23298E+04 -4.09892E-02 -8.17987E-02 1.054E-02 2.091E+01 1.812E+05 13 6 2.24237E+04 -4.09892E-02 -8.16278E-02 2.645E-04 5.272E-01 4.511E+03 13 7 4.21286E+04 -4.09892E-02 -6.26198E-02 3.807E-02 1.426E+02 1.840E+05 13 8 4.23717E+04 -4.09892E-02 -6.24957E-02 1.148E-03 4.323E+00 5.482E+03 13 9 1.07438E+05 -4.09892E-02 -4.94710E-02 2.668E-01 2.548E+03 1.982E+05 13 10 1.08614E+05 -4.09892E-02 -4.93792E-02 8.933E-03 8.625E+01 6.494E+03 13 11 9.87715E+05 -4.09892E-02 -4.00666E-02 -8.414E-01 5.746E+04 4.474E+03 3 4 1 3 4 0 :isi,li,ipi,isj,lj,ipj 6 11 66 : ni,nj,ntrs/i,j,wl(A),Ei(Ry),Ej(Ry),f,S,A(/s) 1 1 1.00916E+04 -1.60085E-01 -2.50385E-01 6.519E-02 5.847E+01 4.269E+06 1 2 3.84496E+06 -1.60085E-01 -1.60322E-01 2.774E-04 9.482E+01 1.252E-01 1 3 1.86965E+04 -1.60085E-01 -1.11345E-01 -2.970E-03 4.936E+00 5.667E+04 1 4 1.86056E+04 -1.60085E-01 -1.11107E-01 -6.452E-02 1.067E+02 1.243E+06 1 5 1.16402E+04 -1.60085E-01 -8.17987E-02 -5.126E-04 5.304E-01 2.523E+04 1 6 1.16148E+04 -1.60085E-01 -8.16278E-02 -7.681E-03 7.930E+00 3.798E+05 1 7 9.34967E+03 -1.60085E-01 -6.26198E-02 -1.760E-04 1.463E-01 1.343E+04 1 8 9.33778E+03 -1.60085E-01 -6.24957E-02 -2.269E-03 1.883E+00 1.735E+05 1 9 8.23826E+03 -1.60085E-01 -4.94710E-02 -8.215E-05 6.016E-02 8.073E+03 1 10 8.23143E+03 -1.60085E-01 -4.93792E-02 -9.789E-04 7.162E-01 9.636E+04 1 11 7.59273E+03 -1.60085E-01 -4.00666E-02 -4.559E-05 3.077E-02 5.275E+03 2 1 6.54684E+03 -1.11193E-01 -2.50385E-01 8.874E-03 5.164E+00 1.381E+06 2 2 1.85485E+04 -1.11193E-01 -1.60322E-01 5.715E-02 9.422E+01 1.108E+06 2 3 5.99521E+06 -1.11193E-01 -1.11345E-01 6.541E-04 3.486E+02 1.214E-01 2 4 1.05959E+07 -1.11193E-01 -1.11107E-01 -9.270E-05 8.731E+01 5.507E-03 2 5 3.10015E+04 -1.11193E-01 -8.17987E-02 -5.481E-03 1.510E+01 3.804E+04 2 6 3.08223E+04 -1.11193E-01 -8.16278E-02 -5.533E-02 1.516E+02 3.885E+05 2 7 1.87607E+04 -1.11193E-01 -6.26198E-02 -1.049E-03 1.749E+00 1.988E+04 2 8 1.87129E+04 -1.11193E-01 -6.24957E-02 -9.856E-03 1.639E+01 1.877E+05 2 9 1.47641E+04 -1.11193E-01 -4.94710E-02 -3.830E-04 5.026E-01 1.172E+04 2 10 1.47421E+04 -1.11193E-01 -4.93792E-02 -3.449E-03 4.519E+00 1.058E+05 2 11 1.28119E+04 -1.11193E-01 -4.00666E-02 -1.857E-04 2.115E-01 7.547E+03 3 1 5.40212E+03 -8.16980E-02 -2.50385E-01 2.837E-03 1.362E+00 6.485E+05 3 2 1.15902E+04 -8.16980E-02 -1.60322E-01 1.112E-02 1.145E+01 5.521E+05 3 3 3.07372E+04 -8.16980E-02 -1.11345E-01 5.341E-02 1.459E+02 3.770E+05 3 4 3.09860E+04 -8.16980E-02 -1.11107E-01 1.317E-04 3.627E-01 9.149E+02 3 5 9.04914E+06 -8.16980E-02 -8.17987E-02 1.038E-03 8.347E+02 8.453E-02 3 6 1.29811E+07 -8.16980E-02 -8.16278E-02 -2.122E-04 2.449E+02 8.400E-03 3 7 4.77648E+04 -8.16980E-02 -6.26198E-02 -7.822E-03 3.321E+01 2.287E+04 3 8 4.74561E+04 -8.16980E-02 -6.24957E-02 -4.996E-02 2.108E+02 1.480E+05 3 9 2.82765E+04 -8.16980E-02 -4.94710E-02 -1.581E-03 3.973E+00 1.319E+04 3 10 2.81962E+04 -8.16980E-02 -4.93792E-02 -1.052E-02 2.637E+01 8.828E+04 3 11 2.18889E+04 -8.16980E-02 -4.00666E-02 -5.967E-04 1.161E+00 8.306E+03 4 1 4.85142E+03 -6.25497E-02 -2.50385E-01 1.287E-03 5.552E-01 3.648E+05 4 2 9.32030E+03 -6.25497E-02 -1.60322E-01 4.119E-03 3.412E+00 3.162E+05 4 3 1.86753E+04 -6.25497E-02 -1.11345E-01 1.189E-02 1.973E+01 2.273E+05 4 4 1.87668E+04 -6.25497E-02 -1.11107E-01 4.841E-05 8.075E-02 9.167E+02 4 5 4.73410E+04 -6.25497E-02 -8.17987E-02 5.215E-02 2.194E+02 1.552E+05 4 6 4.77651E+04 -6.25497E-02 -8.16278E-02 4.307E-05 1.829E-01 1.259E+02 4 7 1.30004E+07 -6.25497E-02 -6.26198E-02 1.412E-03 1.631E+03 5.572E-02 4 8 1.68748E+07 -6.25497E-02 -6.24957E-02 -3.383E-04 5.074E+02 7.924E-03 4 9 6.96756E+04 -6.25497E-02 -4.94710E-02 -1.014E-02 6.278E+01 1.393E+04 4 10 6.91900E+04 -6.25497E-02 -4.93792E-02 -4.659E-02 2.865E+02 6.492E+04 4 11 4.05312E+04 -6.25497E-02 -4.00666E-02 -2.115E-03 7.619E+00 8.586E+03 5 1 4.53447E+03 -4.94206E-02 -2.50385E-01 7.052E-04 2.842E-01 2.288E+05 5 2 8.21691E+03 -4.94206E-02 -1.60322E-01 2.022E-03 1.477E+00 1.998E+05 5 3 1.47158E+04 -4.94206E-02 -1.11345E-01 4.722E-03 6.177E+00 1.454E+05 5 4 1.47726E+04 -4.94206E-02 -1.11107E-01 2.360E-05 3.098E-02 7.212E+02 5 5 2.81445E+04 -4.94206E-02 -8.17987E-02 1.236E-02 3.093E+01 1.041E+05 5 6 2.82939E+04 -4.94206E-02 -8.16278E-02 3.205E-05 8.061E-02 2.670E+02 5 7 6.90396E+04 -4.94206E-02 -6.26198E-02 5.215E-02 3.200E+02 7.297E+04 5 8 6.96948E+04 -4.94206E-02 -6.24957E-02 3.102E-07 1.922E-03 4.260E-01 5 9 1.80809E+07 -4.94206E-02 -4.94710E-02 1.773E-03 2.849E+03 3.617E-02 5 10 2.20117E+07 -4.94206E-02 -4.93792E-02 -4.641E-04 9.080E+02 6.388E-03 5 11 9.74201E+04 -4.94206E-02 -4.00666E-02 -1.247E-02 1.080E+02 8.767E+03 6 1 4.33203E+03 -4.00291E-02 -2.50385E-01 4.337E-04 1.670E-01 1.541E+05 6 2 7.57540E+03 -4.00291E-02 -1.60322E-01 1.164E-03 7.836E-01 1.353E+05 6 3 1.27779E+04 -4.00291E-02 -1.11345E-01 2.423E-03 2.752E+00 9.899E+04 6 4 1.28207E+04 -4.00291E-02 -1.11107E-01 1.350E-05 1.538E-02 5.478E+02 6 5 2.18165E+04 -4.00291E-02 -8.17987E-02 5.107E-03 9.904E+00 7.157E+04 6 6 2.19061E+04 -4.00291E-02 -8.16278E-02 1.975E-05 3.846E-02 2.745E+02 6 7 4.03382E+04 -4.00291E-02 -6.26198E-02 1.278E-02 4.582E+01 5.238E+04 6 8 4.05610E+04 -4.00291E-02 -6.24957E-02 8.341E-06 3.007E-02 3.381E+01 6 9 9.65131E+04 -4.00291E-02 -4.94710E-02 5.289E-02 4.537E+02 3.787E+04 6 10 9.74607E+04 -4.00291E-02 -4.93792E-02 6.548E-05 5.673E-01 4.598E+01 6 11 2.43013E+07 -4.00291E-02 -4.00666E-02 2.123E-03 4.586E+03 2.398E-02 3 5 1 3 4 0 :isi,li,ipi,isj,lj,ipj 6 11 66 : ni,nj,ntrs/i,j,wl(A),Ei(Ry),Ej(Ry),f,S,A(/s) 1 1 1.00821E+04 -1.60000E-01 -2.50385E-01 1.272E+00 1.140E+03 6.830E+07 1 2 2.83003E+06 -1.60000E-01 -1.60322E-01 7.426E-03 1.868E+03 5.060E+00 1 3 1.87292E+04 -1.60000E-01 -1.11345E-01 -7.376E-03 1.501E+01 1.714E+05 1 4 1.86380E+04 -1.60000E-01 -1.11107E-01 -1.159E-03 2.347E+00 2.720E+04 1 5 1.16528E+04 -1.60000E-01 -8.17987E-02 -1.163E-03 1.473E+00 6.984E+04 1 6 1.16274E+04 -1.60000E-01 -8.16278E-02 -1.779E-04 2.247E-01 1.073E+04 1 7 9.35783E+03 -1.60000E-01 -6.26198E-02 -3.845E-04 3.909E-01 3.580E+04 1 8 9.34592E+03 -1.60000E-01 -6.24957E-02 -5.909E-05 6.000E-02 5.515E+03 1 9 8.24460E+03 -1.60000E-01 -4.94710E-02 -1.763E-04 1.579E-01 2.114E+04 1 10 8.23776E+03 -1.60000E-01 -4.93792E-02 -2.719E-05 2.433E-02 3.266E+03 1 11 7.59811E+03 -1.60000E-01 -4.00666E-02 -9.694E-05 8.002E-02 1.369E+04 2 1 6.54303E+03 -1.11112E-01 -2.50385E-01 1.743E-01 1.013E+02 2.221E+07 2 2 1.85179E+04 -1.11112E-01 -1.60322E-01 1.111E+00 1.830E+03 1.769E+07 2 3 3.91098E+06 -1.11112E-01 -1.11345E-01 1.682E-02 5.847E+03 6.000E+00 2 4 1.82277E+08 -1.11112E-01 -1.11107E-01 -6.048E-06 1.198E+02 1.484E-06 2 5 3.10872E+04 -1.11112E-01 -8.17987E-02 -2.015E-02 6.806E+01 1.700E+05 2 6 3.09070E+04 -1.11112E-01 -8.16278E-02 -1.917E-03 6.437E+00 1.636E+04 2 7 1.87920E+04 -1.11112E-01 -6.26198E-02 -3.455E-03 7.053E+00 7.975E+04 2 8 1.87441E+04 -1.11112E-01 -6.24957E-02 -3.673E-04 7.479E-01 8.522E+03 2 9 1.47835E+04 -1.11112E-01 -4.94710E-02 -1.194E-03 1.917E+00 4.452E+04 2 10 1.47615E+04 -1.11112E-01 -4.93792E-02 -1.337E-04 2.144E-01 5.002E+03 2 11 1.28265E+04 -1.11112E-01 -4.00666E-02 -5.609E-04 7.816E-01 2.779E+04 3 1 5.40003E+03 -8.16327E-02 -2.50385E-01 4.704E-02 2.258E+01 8.803E+06 3 2 1.15806E+04 -8.16327E-02 -1.60322E-01 1.826E-01 1.880E+02 7.430E+06 3 3 3.06697E+04 -8.16327E-02 -1.11345E-01 7.270E-01 1.982E+03 4.218E+06 3 4 3.09173E+04 -8.16327E-02 -1.11107E-01 4.656E-01 1.279E+03 2.658E+06 3 5 5.48960E+06 -8.16327E-02 -8.17987E-02 2.049E-02 9.996E+03 3.710E+00 3 6 1.85879E+08 -8.16327E-02 -8.16278E-02 -1.092E-04 2.205E+03 2.577E-05 3 7 4.79289E+04 -8.16327E-02 -6.26198E-02 -2.902E-02 1.511E+02 1.030E+05 3 8 4.76181E+04 -8.16327E-02 -6.24957E-02 -6.003E-03 3.106E+01 2.158E+04 3 9 2.83339E+04 -8.16327E-02 -4.94710E-02 -5.306E-03 1.633E+01 5.388E+04 3 10 2.82533E+04 -8.16327E-02 -4.93792E-02 -1.048E-03 3.216E+00 1.070E+04 3 11 2.19233E+04 -8.16327E-02 -4.00666E-02 -1.894E-03 4.510E+00 3.212E+04 4 1 4.85015E+03 -6.25006E-02 -2.50385E-01 2.469E-02 1.064E+01 5.727E+06 4 2 9.31562E+03 -6.25006E-02 -1.60322E-01 7.819E-02 6.474E+01 4.917E+06 4 3 1.86565E+04 -6.25006E-02 -1.11345E-01 2.108E-01 3.495E+02 3.305E+06 4 4 1.87479E+04 -6.25006E-02 -1.11107E-01 2.094E-02 3.489E+01 3.251E+05 4 5 4.72206E+04 -6.25006E-02 -8.17987E-02 8.637E-01 3.625E+03 2.114E+06 4 6 4.76425E+04 -6.25006E-02 -8.16278E-02 1.606E-01 6.802E+02 3.862E+05 4 7 7.64522E+06 -6.25006E-02 -6.26198E-02 3.323E-02 2.258E+04 3.103E+00 4 8 1.85879E+08 -6.25006E-02 -6.24957E-02 -1.306E-04 2.638E+03 3.082E-05 4 9 6.99382E+04 -6.25006E-02 -4.94710E-02 -5.230E-02 3.974E+02 8.717E+04 4 10 6.94489E+04 -6.25006E-02 -4.93792E-02 -6.894E-03 5.201E+01 1.165E+04 4 11 4.06199E+04 -6.25006E-02 -4.00666E-02 -9.900E-03 4.369E+01 4.891E+04 5 1 4.53365E+03 -4.93841E-02 -2.50385E-01 1.365E-02 5.500E+00 3.624E+06 5 2 8.21421E+03 -4.93841E-02 -1.60322E-01 3.878E-02 2.831E+01 3.136E+06 5 3 1.47071E+04 -4.93841E-02 -1.11345E-01 9.193E-02 1.202E+02 2.319E+06 5 4 1.47638E+04 -4.93841E-02 -1.11107E-01 1.295E-05 1.699E-02 3.242E+02 5 5 2.81129E+04 -4.93841E-02 -8.17987E-02 2.404E-01 6.008E+02 1.660E+06 5 6 2.82619E+04 -4.93841E-02 -8.16278E-02 2.474E-04 6.214E-01 1.690E+03 5 7 6.88492E+04 -4.93841E-02 -6.26198E-02 9.933E-01 6.079E+03 1.144E+06 5 8 6.95008E+04 -4.93841E-02 -6.24957E-02 2.158E-03 1.333E+01 2.438E+03 5 9 1.04864E+07 -4.93841E-02 -4.94710E-02 4.604E-02 4.291E+04 2.285E+00 5 10 1.86020E+08 -4.93841E-02 -4.93792E-02 -6.273E-06 1.268E+02 1.478E-06 5 11 9.78017E+04 -4.93841E-02 -4.00666E-02 -7.842E-02 8.333E+02 6.684E+04 6 1 4.33142E+03 -3.99995E-02 -2.50385E-01 5.796E-03 2.232E+00 1.686E+06 6 2 7.57354E+03 -3.99995E-02 -1.60322E-01 1.539E-02 1.036E+01 1.464E+06 6 3 1.27726E+04 -3.99995E-02 -1.11345E-01 2.757E-02 3.130E+01 9.223E+05 6 4 1.28153E+04 -3.99995E-02 -1.11107E-01 1.245E-02 1.418E+01 4.136E+05 6 5 2.18011E+04 -3.99995E-02 -8.17987E-02 5.137E-02 9.955E+01 5.898E+05 6 6 2.18906E+04 -3.99995E-02 -8.16278E-02 4.774E-02 9.289E+01 5.437E+05 6 7 4.02854E+04 -3.99995E-02 -6.26198E-02 1.168E-01 4.183E+02 3.928E+05 6 8 4.05076E+04 -3.99995E-02 -6.24957E-02 1.571E-01 5.657E+02 5.225E+05 6 9 9.62115E+04 -3.99995E-02 -4.94710E-02 4.444E-01 3.801E+03 2.620E+05 6 10 9.71531E+04 -3.99995E-02 -4.93792E-02 7.515E-01 6.490E+03 4.345E+05 6 11 1.35807E+07 -3.99995E-02 -4.00666E-02 2.906E-02 3.507E+04 8.597E-01 3 4 1 3 5 0 :isi,li,ipi,isj,lj,ipj 6 5 30 : ni,nj,ntrs/i,j,wl(A),Ei(Ry),Ej(Ry),f,S,A(/s) 1 1 1.86079E+04 -1.60085E-01 -1.11113E-01 -1.606E+00 2.657E+03 2.532E+07 1 2 1.16159E+04 -1.60085E-01 -8.16352E-02 -1.945E-01 2.008E+02 7.866E+06 1 3 9.33842E+03 -1.60085E-01 -6.25024E-02 -5.793E-02 4.808E+01 3.625E+06 1 4 8.23185E+03 -1.60085E-01 -4.93848E-02 -2.511E-02 1.838E+01 2.023E+06 1 5 7.58863E+03 -1.60085E-01 -4.00018E-02 -1.334E-02 8.996E+00 1.264E+06 2 1 1.13902E+07 -1.11193E-01 -1.11113E-01 -3.190E-03 3.229E+03 1.342E-01 2 2 3.08300E+04 -1.11193E-01 -8.16352E-02 -1.425E+00 3.906E+03 8.183E+06 2 3 1.87155E+04 -1.11193E-01 -6.25024E-02 -2.557E-01 4.254E+02 3.984E+06 2 4 1.47435E+04 -1.11193E-01 -4.93848E-02 -8.985E-02 1.178E+02 2.256E+06 2 5 1.28003E+04 -1.11193E-01 -4.00018E-02 -4.259E-02 4.846E+01 1.419E+06 3 1 3.09797E+04 -8.16980E-02 -1.11113E-01 6.291E-03 2.117E+01 5.343E+04 3 2 1.45104E+07 -8.16980E-02 -8.16352E-02 -7.396E-03 9.540E+03 1.917E-01 3 3 4.74727E+04 -8.16980E-02 -6.25024E-02 -1.326E+00 5.593E+03 3.210E+06 3 4 2.82011E+04 -8.16980E-02 -4.93848E-02 -2.793E-01 7.001E+02 1.916E+06 3 5 2.18549E+04 -8.16980E-02 -4.00018E-02 -1.069E-01 2.077E+02 1.222E+06 4 1 1.87645E+04 -6.25497E-02 -1.11113E-01 9.042E-04 1.843E+00 2.094E+04 4 2 4.77466E+04 -6.25497E-02 -8.16352E-02 1.719E-02 8.917E+01 6.147E+04 4 3 1.92642E+07 -6.25497E-02 -6.25024E-02 -1.183E-02 2.026E+04 1.740E-01 4 4 6.92194E+04 -6.25497E-02 -4.93848E-02 -1.270E+00 7.812E+03 1.446E+06 4 5 4.04147E+04 -6.25497E-02 -4.00018E-02 -2.904E-01 1.043E+03 9.703E+05 5 1 1.47711E+04 -4.94206E-02 -1.11113E-01 2.803E-04 4.499E-01 1.047E+04 5 2 2.82874E+04 -4.94206E-02 -8.16352E-02 2.735E-03 8.406E+00 2.787E+04 5 3 6.96591E+04 -4.94206E-02 -6.25024E-02 3.158E-02 2.390E+02 5.305E+04 5 4 2.54544E+07 -4.94206E-02 -4.93848E-02 -1.624E-02 3.675E+04 1.368E-01 5 5 9.67498E+04 -4.94206E-02 -4.00018E-02 -1.239E+00 1.066E+04 7.225E+05 6 1 1.28196E+04 -4.00291E-02 -1.11113E-01 1.227E-04 1.708E-01 6.085E+03 6 2 2.19022E+04 -4.00291E-02 -8.16352E-02 8.936E-04 2.126E+00 1.519E+04 6 3 4.05489E+04 -4.00291E-02 -6.25024E-02 5.370E-03 2.365E+01 2.662E+04 6 4 9.74024E+04 -4.00291E-02 -4.93848E-02 4.864E-02 5.147E+02 4.179E+04 6 5 3.33765E+07 -4.00291E-02 -4.00018E-02 -2.054E-02 6.095E+04 1.006E-01 3 5 1 3 5 0 :isi,li,ipi,isj,lj,ipj 6 5 30 : ni,nj,ntrs/i,j,wl(A),Ei(Ry),Ej(Ry),f,S,A(/s) 1 1 1.86403E+04 -1.60000E-01 -1.11113E-01 -5.488E-02 1.111E+02 1.053E+06 1 2 1.16285E+04 -1.60000E-01 -8.16352E-02 -6.603E-03 8.342E+00 3.257E+05 1 3 9.34656E+03 -1.60000E-01 -6.25024E-02 -1.960E-03 1.990E+00 1.496E+05 1 4 8.23817E+03 -1.60000E-01 -4.93848E-02 -8.476E-04 7.586E-01 8.330E+04 1 5 7.59401E+03 -1.60000E-01 -4.00018E-02 -4.494E-04 3.708E-01 5.198E+04 2 1 9.12748E+08 -1.11112E-01 -1.11113E-01 1.617E-06 1.603E+02 1.294E-08 2 2 3.09147E+04 -1.11112E-01 -8.16352E-02 -4.885E-02 1.641E+02 3.409E+05 2 3 1.87466E+04 -1.11112E-01 -6.25024E-02 -8.697E-03 1.771E+01 1.651E+05 2 4 1.47628E+04 -1.11112E-01 -4.93848E-02 -3.042E-03 4.880E+00 9.311E+04 2 5 1.28149E+04 -1.11112E-01 -4.00018E-02 -1.439E-03 2.004E+00 5.846E+04 3 1 3.09111E+04 -8.16327E-02 -1.11113E-01 6.397E-03 2.148E+01 4.465E+04 3 2 3.65099E+08 -8.16327E-02 -8.16352E-02 4.282E-06 1.698E+02 2.143E-07 3 3 4.76347E+04 -8.16327E-02 -6.25024E-02 -3.621E-02 1.874E+02 1.064E+05 3 4 2.82582E+04 -8.16327E-02 -4.93848E-02 -7.652E-03 2.349E+01 6.391E+04 3 5 2.18892E+04 -8.16327E-02 -4.00018E-02 -2.935E-03 6.980E+00 4.086E+04 4 1 1.87456E+04 -6.25006E-02 -1.11113E-01 6.900E-05 1.405E-01 1.310E+03 4 2 4.76241E+04 -6.25006E-02 -8.16352E-02 2.323E-04 1.202E+00 6.832E+02 4 3 5.07503E+08 -6.25006E-02 -6.25024E-02 1.111E-05 6.123E+02 2.876E-07 4 4 6.94785E+04 -6.25006E-02 -4.93848E-02 -4.064E-02 3.067E+02 5.615E+04 4 5 4.05029E+04 -6.25006E-02 -4.00018E-02 -9.285E-03 4.086E+01 3.775E+04 5 1 1.47624E+04 -4.93841E-02 -1.11113E-01 1.054E-04 1.690E-01 3.225E+03 5 2 2.82554E+04 -4.93841E-02 -8.16352E-02 6.688E-04 2.053E+00 5.587E+03 5 3 6.94653E+04 -4.93841E-02 -6.25024E-02 5.185E-03 3.913E+01 7.167E+03 5 4 1.30115E+09 -4.93841E-02 -4.93848E-02 1.363E-05 1.926E+03 5.369E-08 5 5 9.71262E+04 -4.93841E-02 -4.00018E-02 -4.370E-02 4.611E+02 3.090E+04 6 1 1.28143E+04 -3.99995E-02 -1.11113E-01 1.733E-04 2.412E-01 7.038E+03 6 2 2.18867E+04 -3.99995E-02 -8.16352E-02 6.309E-04 1.500E+00 8.785E+03 6 3 4.04955E+04 -3.99995E-02 -6.25024E-02 1.856E-03 8.167E+00 7.550E+03 6 4 9.70952E+04 -3.99995E-02 -4.93848E-02 7.230E-03 7.627E+01 5.115E+03 6 5 3.96461E+08 -3.99995E-02 -4.00018E-02 6.439E-06 2.774E+02 2.732E-07 3 6 1 3 5 0 :isi,li,ipi,isj,lj,ipj 4 5 20 : ni,nj,ntrs/i,j,wl(A),Ei(Ry),Ej(Ry),f,S,A(/s) 1 1 3.09111E+04 -8.16327E-02 -1.11113E-01 1.952E+00 6.555E+03 1.153E+07 1 2 3.65099E+08 -8.16327E-02 -8.16352E-02 1.605E-04 6.364E+03 6.794E-06 1 3 4.76347E+04 -8.16327E-02 -6.25024E-02 -5.341E-03 3.267E+01 1.855E+04 1 4 2.82582E+04 -8.16327E-02 -4.93848E-02 -6.941E-04 2.518E+00 6.852E+03 1 5 2.18892E+04 -8.16327E-02 -4.00018E-02 -1.997E-04 5.614E-01 3.286E+03 2 1 1.87454E+04 -6.25001E-02 -1.11113E-01 2.109E-01 4.295E+02 3.387E+06 2 2 4.76228E+04 -6.25001E-02 -8.16352E-02 1.755E+00 9.079E+03 4.367E+06 2 3 3.95819E+08 -6.25001E-02 -6.25024E-02 4.267E-04 1.835E+04 1.537E-05 2 4 6.94812E+04 -6.25001E-02 -4.93848E-02 -1.476E-02 1.317E+02 2.410E+04 2 5 4.05038E+04 -6.25001E-02 -4.00018E-02 -2.162E-03 1.124E+01 1.039E+04 3 1 1.47621E+04 -4.93828E-02 -1.11113E-01 5.815E-02 9.326E+01 1.506E+06 3 2 2.82542E+04 -4.93828E-02 -8.16352E-02 2.895E-01 8.886E+02 2.047E+06 3 3 6.94584E+04 -4.93828E-02 -6.25024E-02 1.638E+00 1.236E+04 1.916E+06 3 4 4.55524E+08 -4.93828E-02 -4.93848E-02 7.482E-04 3.703E+04 2.035E-05 3 5 9.71397E+04 -4.93828E-02 -4.00018E-02 -2.738E-02 3.415E+02 2.288E+04 4 1 1.28144E+04 -4.00001E-02 -1.11113E-01 2.388E-02 3.324E+01 8.207E+05 4 2 2.18870E+04 -4.00001E-02 -8.16352E-02 9.597E-02 2.282E+02 1.131E+06 4 3 4.04966E+04 -4.00001E-02 -6.25024E-02 3.236E-01 1.424E+03 1.114E+06 4 4 9.71014E+04 -4.00001E-02 -4.93848E-02 1.566E+00 1.652E+04 9.372E+05 4 5 5.36439E+08 -4.00001E-02 -4.00018E-02 1.095E-03 6.382E+04 2.148E-05 3 5 1 3 6 0 :isi,li,ipi,isj,lj,ipj 6 5 30 : ni,nj,ntrs/i,j,wl(A),Ei(Ry),Ej(Ry),f,S,A(/s) 1 1 1.86395E+04 -1.60000E-01 -1.11111E-01 -1.621E+00 3.282E+03 2.633E+07 1 2 1.16281E+04 -1.60000E-01 -8.16324E-02 -1.951E-01 2.465E+02 8.143E+06 1 3 9.34632E+03 -1.60000E-01 -6.24999E-02 -3.476E-02 3.529E+01 2.246E+06 1 4 8.23800E+03 -1.60000E-01 -4.93825E-02 -2.457E-02 2.199E+01 2.043E+06 1 5 7.59389E+03 -1.60000E-01 -4.00000E-02 -5.073E-04 4.185E-01 4.965E+04 2 1 9.12748E+08 -1.11112E-01 -1.11111E-01 -3.961E-05 3.927E+03 2.683E-07 2 2 3.09118E+04 -1.11112E-01 -8.16324E-02 -1.442E+00 4.844E+03 8.519E+06 2 3 1.87457E+04 -1.11112E-01 -6.24999E-02 -1.542E-01 3.140E+02 2.476E+06 2 4 1.47623E+04 -1.11112E-01 -4.93825E-02 -8.818E-02 1.414E+02 2.284E+06 2 5 1.28145E+04 -1.11112E-01 -4.00000E-02 -1.625E-03 2.262E+00 5.584E+04 3 1 3.09132E+04 -8.16327E-02 -1.11111E-01 6.397E-03 2.539E+01 5.277E+04 3 2 2.98313E+09 -8.16327E-02 -8.16324E-02 -2.443E-05 7.917E+03 1.549E-08 3 3 4.76285E+04 -8.16327E-02 -6.24999E-02 -1.907E-01 9.866E+02 4.744E+05 3 4 2.82562E+04 -8.16327E-02 -4.93825E-02 -2.583E-01 7.928E+02 1.826E+06 3 5 2.18883E+04 -8.16327E-02 -4.00000E-02 -1.335E-03 3.173E+00 1.572E+04 4 1 1.87463E+04 -6.25006E-02 -1.11111E-01 9.362E-04 2.253E+00 2.100E+04 4 2 4.76310E+04 -6.25006E-02 -8.16324E-02 1.743E-02 1.066E+02 6.054E+04 4 3 1.29427E+09 -6.25006E-02 -6.24999E-02 -8.376E-05 1.178E+04 2.822E-07 4 4 6.94664E+04 -6.25006E-02 -4.93825E-02 -1.309E+00 9.879E+03 1.531E+06 4 5 4.04997E+04 -6.25006E-02 -4.00000E-02 -2.418E-06 1.064E-02 8.321E+00 5 1 1.47629E+04 -4.93841E-02 -1.11111E-01 2.523E-04 4.781E-01 9.124E+03 5 2 2.82578E+04 -4.93841E-02 -8.16324E-02 2.526E-03 9.164E+00 2.493E+04 5 3 6.94786E+04 -4.93841E-02 -6.24999E-02 1.979E-02 1.765E+02 3.232E+04 5 4 5.70201E+08 -4.93841E-02 -4.93825E-02 -6.664E-04 4.128E+04 1.157E-05 5 5 9.71076E+04 -4.93841E-02 -4.00000E-02 -2.049E-01 2.162E+03 1.227E+05 6 1 1.28146E+04 -3.99995E-02 -1.11111E-01 1.034E-04 1.702E-01 4.965E+03 6 2 2.18881E+04 -3.99995E-02 -8.16324E-02 7.154E-04 2.010E+00 1.177E+04 6 3 4.05000E+04 -3.99995E-02 -6.24999E-02 1.698E-03 8.831E+00 8.161E+03 6 4 9.71189E+04 -3.99995E-02 -4.93825E-02 3.897E-02 4.860E+02 3.257E+04 6 5 1.82550E+09 -3.99995E-02 -4.00000E-02 2.803E-05 6.569E+03 6.629E-08 3 6 1 3 6 0 :isi,li,ipi,isj,lj,ipj 4 5 20 : ni,nj,ntrs/i,j,wl(A),Ei(Ry),Ej(Ry),f,S,A(/s) 1 1 3.09132E+04 -8.16327E-02 -1.11111E-01 4.721E-02 1.874E+02 3.295E+05 1 2 2.98313E+09 -8.16327E-02 -8.16324E-02 -3.972E-07 1.521E+02 2.977E-10 1 3 4.76285E+04 -8.16327E-02 -6.24999E-02 -2.183E-02 1.335E+02 6.419E+04 1 4 2.82562E+04 -8.16327E-02 -4.93825E-02 -2.679E-05 9.721E-02 2.238E+02 1 5 2.18883E+04 -8.16327E-02 -4.00000E-02 -1.185E-03 3.331E+00 1.650E+04 2 1 1.87461E+04 -6.25001E-02 -1.11111E-01 5.097E-03 1.227E+01 9.675E+04 2 2 4.76298E+04 -6.25001E-02 -8.16324E-02 4.244E-02 2.595E+02 1.248E+05 2 3 4.61540E+09 -6.25001E-02 -6.24999E-02 -9.072E-07 5.376E+02 2.840E-10 2 4 6.94691E+04 -6.25001E-02 -4.93825E-02 -7.872E-05 7.021E-01 1.088E+02 2 5 4.05006E+04 -6.25001E-02 -4.00000E-02 -6.633E-03 3.449E+01 2.697E+04 3 1 1.47626E+04 -4.93828E-02 -1.11111E-01 1.405E-03 2.664E+00 4.301E+04 3 2 2.82567E+04 -4.93828E-02 -8.16324E-02 6.997E-03 2.539E+01 5.845E+04 3 3 6.94717E+04 -4.93828E-02 -6.24999E-02 2.590E-02 2.310E+02 3.579E+04 3 4 3.05770E+09 -4.93828E-02 -4.93825E-02 -1.561E-06 6.126E+02 1.113E-09 3 5 9.71210E+04 -4.93828E-02 -4.00000E-02 -4.115E-02 5.132E+02 2.910E+04 4 1 1.28147E+04 -4.00001E-02 -1.11111E-01 5.769E-04 9.492E-01 2.343E+04 4 2 2.18885E+04 -4.00001E-02 -8.16324E-02 2.319E-03 6.516E+00 3.228E+04 4 3 4.05011E+04 -4.00001E-02 -6.24999E-02 5.018E-03 2.609E+01 2.040E+04 4 4 9.71251E+04 -4.00001E-02 -4.93825E-02 3.618E-02 4.512E+02 2.558E+04 4 5 9.05987E+09 -4.00001E-02 -4.00000E-02 -5.508E-07 6.407E+02 4.475E-11 3 7 1 3 6 0 :isi,li,ipi,isj,lj,ipj 3 5 15 : ni,nj,ntrs/i,j,wl(A),Ei(Ry),Ej(Ry),f,S,A(/s) 1 1 3.09130E+04 -8.16326E-02 -1.11111E-01 1.960E+00 7.780E+03 1.186E+07 1 2 4.52993E+09 -8.16326E-02 -8.16324E-02 -1.274E-05 8.553E+03 4.780E-09 1 3 4.76288E+04 -8.16326E-02 -6.24999E-02 -2.318E-03 1.635E+01 7.863E+03 1 4 2.82563E+04 -8.16326E-02 -4.93825E-02 -7.318E-04 3.063E+00 7.054E+03 1 5 2.18883E+04 -8.16326E-02 -4.00000E-02 -2.807E-07 9.101E-04 4.508E+00 2 1 1.87461E+04 -6.25001E-02 -1.11111E-01 2.117E-01 5.096E+02 3.483E+06 2 2 4.76298E+04 -6.25001E-02 -8.16324E-02 1.763E+00 1.078E+04 4.492E+06 2 3 4.61540E+09 -6.25001E-02 -6.24999E-02 -9.300E-06 6.359E+03 3.360E-09 2 4 6.94691E+04 -6.25001E-02 -4.93825E-02 -1.532E-02 1.576E+02 2.443E+04 2 5 4.05006E+04 -6.25001E-02 -4.00000E-02 -1.494E-05 8.963E-02 7.009E+01 3 1 1.47625E+04 -4.93826E-02 -1.11111E-01 5.836E-02 1.106E+02 1.548E+06 3 2 2.82565E+04 -4.93826E-02 -8.16324E-02 2.905E-01 1.054E+03 2.103E+06 3 3 6.94706E+04 -4.93826E-02 -6.24999E-02 9.459E-01 8.437E+03 1.133E+06 3 4 9.05987E+09 -4.93826E-02 -4.93825E-02 -5.622E-05 7.546E+04 5.271E-09 3 5 9.71231E+04 -4.93826E-02 -4.00000E-02 -3.347E-04 4.815E+00 2.730E+02 3 6 1 3 7 0 :isi,li,ipi,isj,lj,ipj 4 3 12 : ni,nj,ntrs/i,j,wl(A),Ei(Ry),Ej(Ry),f,S,A(/s) 1 1 4.76293E+04 -8.16327E-02 -6.25002E-02 -2.292E+00 1.402E+04 5.840E+06 1 2 2.82563E+04 -8.16327E-02 -4.93827E-02 -2.242E-01 8.134E+02 1.623E+06 1 3 2.18883E+04 -8.16327E-02 -4.00000E-02 -5.756E-02 1.618E+02 6.945E+05 2 1 8.73630E+09 -6.25001E-02 -6.25002E-02 3.149E-06 4.075E+03 3.175E-10 2 2 6.94701E+04 -6.25001E-02 -4.93827E-02 -2.080E+00 1.855E+04 2.491E+06 2 3 4.05006E+04 -6.25001E-02 -4.00000E-02 -3.187E-01 1.657E+03 1.123E+06 3 1 6.94701E+04 -4.93828E-02 -6.25002E-02 4.753E-03 4.892E+01 7.580E+03 3 2 9.40832E+09 -4.93828E-02 -4.93827E-02 -1.080E-05 1.304E+04 7.051E-10 3 3 9.71210E+04 -4.93828E-02 -4.00000E-02 -1.945E+00 2.426E+04 1.192E+06 4 1 4.05006E+04 -4.00001E-02 -6.25002E-02 5.642E-04 3.385E+00 2.647E+03 4 2 9.71231E+04 -4.00001E-02 -4.93827E-02 1.325E-02 1.907E+02 1.081E+04 4 3 9.05987E+09 -4.00001E-02 -4.00000E-02 -2.048E-05 2.382E+04 1.442E-09 3 7 1 3 7 0 :isi,li,ipi,isj,lj,ipj 3 3 9 : ni,nj,ntrs/i,j,wl(A),Ei(Ry),Ej(Ry),f,S,A(/s) 1 1 4.76295E+04 -8.16326E-02 -6.25002E-02 -4.138E-02 2.920E+02 1.217E+05 1 2 2.82564E+04 -8.16326E-02 -4.93827E-02 -4.049E-03 1.695E+01 3.382E+04 1 3 2.18883E+04 -8.16326E-02 -4.00000E-02 -1.039E-03 3.370E+00 1.447E+04 2 1 8.73630E+09 -6.25001E-02 -6.25002E-02 1.033E-08 1.337E+01 9.028E-13 2 2 6.94701E+04 -6.25001E-02 -4.93827E-02 -3.756E-02 3.865E+02 5.190E+04 2 3 4.05006E+04 -6.25001E-02 -4.00000E-02 -5.753E-03 3.452E+01 2.339E+04 3 1 6.94690E+04 -4.93826E-02 -6.25002E-02 3.540E-05 3.643E-01 4.893E+01 3 2 9.05987E+09 -4.93826E-02 -4.93827E-02 3.018E-08 4.050E+01 2.452E-12 3 3 9.71231E+04 -4.93826E-02 -4.00000E-02 -3.504E-02 5.042E+02 2.478E+04 3 8 1 3 7 0 :isi,li,ipi,isj,lj,ipj 1 3 3 : ni,nj,ntrs/i,j,wl(A),Ei(Ry),Ej(Ry),f,S,A(/s) 1 1 6.94701E+04 -4.93828E-02 -6.25002E-02 2.631E+00 2.708E+04 3.208E+06 1 2 9.40832E+09 -4.93828E-02 -4.93827E-02 -3.651E-08 5.767E+01 3.118E-12 1 3 9.71210E+04 -4.93828E-02 -4.00000E-02 -4.282E-03 6.983E+01 3.432E+03 3 7 1 3 8 0 :isi,li,ipi,isj,lj,ipj 3 2 6 : ni,nj,ntrs/i,j,wl(A),Ei(Ry),Ej(Ry),f,S,A(/s) 1 1 4.76298E+04 -8.16326E-02 -6.25003E-02 -2.298E+00 1.621E+04 5.961E+06 1 2 2.82567E+04 -8.16326E-02 -4.93830E-02 -2.249E-01 9.414E+02 1.658E+06 2 1 4.52993E+09 -6.25001E-02 -6.25003E-02 4.896E-07 3.724E+02 1.804E-10 2 2 6.94717E+04 -6.25001E-02 -4.93830E-02 -2.086E+00 2.147E+04 2.543E+06 3 1 6.94685E+04 -4.93826E-02 -6.25003E-02 4.884E-03 5.697E+01 7.651E+03 3 2 2.28613E+09 -4.93826E-02 -4.93830E-02 1.436E-06 5.513E+02 2.077E-09 3 8 1 3 8 0 :isi,li,ipi,isj,lj,ipj 1 2 2 : ni,nj,ntrs/i,j,wl(A),Ei(Ry),Ej(Ry),f,S,A(/s) 1 1 6.94696E+04 -4.93828E-02 -6.25003E-02 3.684E-02 4.297E+02 5.092E+04 1 2 4.52993E+09 -4.93828E-02 -4.93830E-02 1.175E-10 8.936E-02 3.819E-14 3 9 1 3 8 0 :isi,li,ipi,isj,lj,ipj 1 2 2 : ni,nj,ntrs/i,j,wl(A),Ei(Ry),Ej(Ry),f,S,A(/s) 1 1 6.94691E+04 -4.93827E-02 -6.25003E-02 2.635E+00 3.074E+04 3.259E+06 1 2 3.05770E+09 -4.93827E-02 -4.93830E-02 8.292E-09 4.257E+00 5.293E-12 5 0 1 5 1 0 :isi,li,ipi,isj,lj,ipj 9 16 144 : ni,nj,ntrs/i,j,wl(A),Ei(Ry),Ej(Ry),f,S,A(/s) 1 1 6.22069E+02 -1.76512E+00 -3.00223E-01 -2.020E-01 2.068E+00 1.161E+09 1 2 5.00709E+02 -1.76512E+00 5.48327E-02 -5.336E-01 4.398E+00 4.732E+09 1 3 4.79023E+02 -1.76512E+00 1.37227E-01 -2.124E-02 1.675E-01 2.058E+08 1 4 4.49619E+02 -1.76512E+00 2.61634E-01 -2.082E-01 1.541E+00 2.290E+09 1 5 4.41710E+02 -1.76512E+00 2.97923E-01 -7.252E-03 5.273E-02 8.264E+07 1 6 4.29607E+02 -1.76512E+00 3.56043E-01 -1.015E-01 7.178E-01 1.223E+09 1 7 4.25774E+02 -1.76512E+00 3.75141E-01 -3.392E-03 2.377E-02 4.160E+07 1 8 4.19540E+02 -1.76512E+00 4.06940E-01 -5.692E-02 3.931E-01 7.190E+08 1 9 4.17381E+02 -1.76512E+00 4.18180E-01 -1.878E-03 1.291E-02 2.397E+07 1 10 4.13727E+02 -1.76512E+00 4.37460E-01 -3.510E-02 2.390E-01 4.559E+08 1 11 4.12387E+02 -1.76512E+00 4.44617E-01 -1.155E-03 7.842E-03 1.510E+07 1 12 4.10055E+02 -1.76512E+00 4.57183E-01 -2.318E-02 1.565E-01 3.065E+08 1 13 4.09165E+02 -1.76512E+00 4.62016E-01 -7.634E-04 5.142E-03 1.014E+07 1 14 4.07584E+02 -1.76512E+00 4.70660E-01 -1.611E-02 1.081E-01 2.156E+08 1 15 4.06962E+02 -1.76512E+00 4.74074E-01 -5.320E-04 3.564E-03 7.142E+06 1 16 4.05838E+02 -1.76512E+00 4.80274E-01 -1.165E-02 7.785E-02 1.573E+08 2 1 4.13276E+03 -7.97247E-02 -3.00223E-01 1.340E-01 2.735E+01 1.570E+08 2 2 6.77233E+03 -7.97247E-02 5.48327E-02 -5.350E-01 5.964E+01 2.593E+07 2 3 4.20032E+03 -7.97247E-02 1.37227E-01 -3.024E-01 2.091E+01 3.811E+07 2 4 2.66953E+03 -7.97247E-02 2.61634E-01 -7.996E-02 3.514E+00 2.495E+07 2 5 2.41301E+03 -7.97247E-02 2.97923E-01 -2.934E-02 1.165E+00 1.120E+07 2 6 2.09118E+03 -7.97247E-02 3.56043E-01 -4.102E-02 1.412E+00 2.085E+07 2 7 2.00338E+03 -7.97247E-02 3.75141E-01 -9.380E-03 3.093E-01 5.196E+06 2 8 1.87247E+03 -7.97247E-02 4.06940E-01 -2.230E-02 6.873E-01 1.414E+07 2 9 1.83020E+03 -7.97247E-02 4.18180E-01 -4.348E-03 1.310E-01 2.886E+06 2 10 1.76198E+03 -7.97247E-02 4.37460E-01 -1.338E-02 3.881E-01 9.583E+06 2 11 1.73793E+03 -7.97247E-02 4.44617E-01 -2.420E-03 6.923E-02 1.781E+06 2 12 1.69725E+03 -7.97247E-02 4.57183E-01 -8.664E-03 2.421E-01 6.687E+06 2 13 1.68211E+03 -7.97247E-02 4.62016E-01 -1.504E-03 4.163E-02 1.181E+06 2 14 1.65569E+03 -7.97247E-02 4.70660E-01 -5.938E-03 1.618E-01 4.816E+06 2 15 1.64548E+03 -7.97247E-02 4.74074E-01 -1.005E-03 2.722E-02 8.252E+05 2 16 1.62727E+03 -7.97247E-02 4.80274E-01 -4.252E-03 1.139E-01 3.570E+06 3 1 1.77238E+03 2.13926E-01 -3.00223E-01 1.373E-05 1.202E-03 8.748E+04 3 2 5.72788E+03 2.13926E-01 5.48327E-02 3.687E-02 1.043E+01 2.249E+07 3 3 1.18811E+04 2.13926E-01 1.37227E-01 2.051E-01 1.203E+02 2.907E+07 3 4 1.91009E+04 2.13926E-01 2.61634E-01 -8.264E-01 2.598E+02 5.036E+06 3 5 1.08488E+04 2.13926E-01 2.97923E-01 -4.608E-01 8.229E+01 8.704E+06 3 6 6.41209E+03 2.13926E-01 3.56043E-01 -4.204E-02 4.437E+00 2.273E+06 3 7 5.65250E+03 2.13926E-01 3.75141E-01 -4.522E-02 4.207E+00 3.147E+06 3 8 4.72125E+03 2.13926E-01 4.06940E-01 -2.566E-02 1.994E+00 2.559E+06 3 9 4.46144E+03 2.13926E-01 4.18180E-01 -1.471E-02 1.080E+00 1.643E+06 3 10 4.07664E+03 2.13926E-01 4.37460E-01 -1.509E-02 1.012E+00 2.018E+06 3 11 3.95016E+03 2.13926E-01 4.44617E-01 -6.934E-03 4.509E-01 9.880E+05 3 12 3.74611E+03 2.13926E-01 4.57183E-01 -9.528E-03 5.875E-01 1.510E+06 3 13 3.67313E+03 2.13926E-01 4.62016E-01 -3.918E-03 2.369E-01 6.456E+05 3 14 3.54946E+03 2.13926E-01 4.70660E-01 -6.406E-03 3.743E-01 1.130E+06 3 15 3.50288E+03 2.13926E-01 4.74074E-01 -2.468E-03 1.423E-01 4.472E+05 3 16 3.42134E+03 2.13926E-01 4.80274E-01 -4.520E-03 2.546E-01 8.585E+05 4 1 1.43857E+03 3.33229E-01 -3.00223E-01 6.351E-05 4.512E-03 6.141E+05 4 2 3.27327E+03 3.33229E-01 5.48327E-02 4.736E-03 7.655E-01 8.845E+06 4 3 4.64927E+03 3.33229E-01 1.37227E-01 9.260E-04 2.126E-01 8.572E+05 4 4 1.27281E+04 3.33229E-01 2.61634E-01 8.567E-02 5.384E+01 1.058E+07 4 5 2.58105E+04 3.33229E-01 2.97923E-01 2.669E-01 3.401E+02 8.016E+06 4 6 3.99433E+04 3.33229E-01 3.56043E-01 -1.074E+00 7.060E+02 1.496E+06 4 7 2.17424E+04 3.33229E-01 3.75141E-01 -6.182E-01 2.212E+02 2.907E+06 4 8 1.23627E+04 3.33229E-01 4.06940E-01 -2.632E-02 5.356E+00 3.829E+05 4 9 1.07270E+04 3.33229E-01 4.18180E-01 -6.098E-02 1.077E+01 1.178E+06 4 10 8.74276E+03 3.33229E-01 4.37460E-01 -1.860E-02 2.677E+00 5.411E+05 4 11 8.18102E+03 3.33229E-01 4.44617E-01 -1.994E-02 2.685E+00 6.624E+05 4 12 7.35166E+03 3.33229E-01 4.57183E-01 -1.159E-02 1.403E+00 4.769E+05 4 13 7.07577E+03 3.33229E-01 4.62016E-01 -9.456E-03 1.101E+00 4.199E+05 4 14 6.63072E+03 3.33229E-01 4.70660E-01 -7.604E-03 8.299E-01 3.845E+05 4 15 6.47000E+03 3.33229E-01 4.74074E-01 -5.380E-03 5.730E-01 2.857E+05 4 16 6.19720E+03 3.33229E-01 4.80274E-01 -5.256E-03 5.362E-01 3.043E+05 5 1 1.31220E+03 3.94237E-01 -3.00223E-01 7.007E-05 4.540E-03 8.142E+05 5 2 2.68490E+03 3.94237E-01 5.48327E-02 1.636E-03 2.169E-01 4.541E+06 5 3 3.54565E+03 3.94237E-01 1.37227E-01 4.333E-05 7.587E-03 6.897E+04 5 4 6.87214E+03 3.94237E-01 2.61634E-01 1.094E-02 3.713E+00 4.635E+06 5 5 9.46142E+03 3.94237E-01 2.97923E-01 1.885E-03 8.806E-01 4.213E+05 5 6 2.38589E+04 3.94237E-01 3.56043E-01 1.375E-01 1.620E+02 4.834E+06 5 7 4.77203E+04 3.94237E-01 3.75141E-01 3.272E-01 7.711E+02 2.875E+06 5 8 7.17364E+04 3.94237E-01 4.06940E-01 -1.306E+00 1.543E+03 5.644E+05 5 9 3.80599E+04 3.94237E-01 4.18180E-01 -7.738E-01 4.848E+02 1.188E+06 5 10 2.10829E+04 3.94237E-01 4.37460E-01 -1.779E-02 6.174E+00 8.899E+04 5 11 1.80879E+04 3.94237E-01 4.44617E-01 -7.632E-02 2.272E+01 5.186E+05 5 12 1.44770E+04 3.94237E-01 4.57183E-01 -1.439E-02 3.428E+00 1.526E+05 5 13 1.34447E+04 3.94237E-01 4.62016E-01 -2.500E-02 5.533E+00 3.075E+05 5 14 1.19240E+04 3.94237E-01 4.70660E-01 -9.390E-03 1.843E+00 1.468E+05 5 15 1.14141E+04 3.94237E-01 4.74074E-01 -1.190E-02 2.235E+00 2.030E+05 5 16 1.05916E+04 3.94237E-01 4.80274E-01 -6.338E-03 1.105E+00 1.256E+05 6 1 1.24851E+03 4.29658E-01 -3.00223E-01 5.515E-05 3.400E-03 7.080E+05 6 2 2.43118E+03 4.29658E-01 5.48327E-02 7.867E-04 9.444E-02 2.663E+06 6 3 3.11618E+03 4.29658E-01 1.37227E-01 1.665E-06 2.563E-04 3.432E+03 6 4 5.42343E+03 4.29658E-01 2.61634E-01 3.785E-03 1.014E+00 2.575E+06 6 5 6.91743E+03 4.29658E-01 2.97923E-01 1.757E-04 6.003E-02 7.349E+04 6 6 1.23788E+04 4.29658E-01 3.56043E-01 1.771E-02 1.083E+01 2.313E+06 6 7 1.67153E+04 4.29658E-01 3.75141E-01 2.861E-03 2.361E+00 2.049E+05 6 8 4.01121E+04 4.29658E-01 4.06940E-01 1.909E-01 3.782E+02 2.374E+06 6 9 7.93925E+04 4.29658E-01 4.18180E-01 3.867E-01 1.516E+03 1.228E+06 6 10 1.16799E+05 4.29658E-01 4.37460E-01 -1.531E+00 2.944E+03 2.495E+05 6 11 6.09176E+04 4.29658E-01 4.44617E-01 -9.282E-01 9.307E+02 5.561E+05 6 12 3.31069E+04 4.29658E-01 4.57183E-01 -1.260E-02 6.868E+00 2.556E+04 6 13 2.81620E+04 4.29658E-01 4.62016E-01 -9.138E-02 4.236E+01 2.562E+05 6 14 2.22249E+04 4.29658E-01 4.70660E-01 -1.162E-02 4.250E+00 5.229E+04 6 15 2.05166E+04 4.29658E-01 4.74074E-01 -2.994E-02 1.011E+01 1.581E+05 6 16 1.80035E+04 4.29658E-01 4.80274E-01 -7.882E-03 2.336E+00 5.406E+04 7 1 1.21135E+03 4.52048E-01 -3.00223E-01 4.109E-05 2.458E-03 5.604E+05 7 2 2.29414E+03 4.52048E-01 5.48327E-02 4.473E-04 5.067E-02 1.700E+06 7 3 2.89456E+03 4.52048E-01 1.37227E-01 1.424E-07 2.035E-05 3.401E+02 7 4 4.78571E+03 4.52048E-01 2.61634E-01 1.832E-03 4.330E-01 1.601E+06 7 5 5.91252E+03 4.52048E-01 2.97923E-01 3.148E-05 9.191E-03 1.802E+04 7 6 9.49187E+03 4.52048E-01 3.56043E-01 6.163E-03 2.889E+00 1.369E+06 7 7 1.18489E+04 4.52048E-01 3.75141E-01 3.373E-04 1.973E-01 4.807E+04 7 8 2.02019E+04 4.52048E-01 4.06940E-01 2.467E-02 2.461E+01 1.210E+06 7 9 2.69064E+04 4.52048E-01 4.18180E-01 3.835E-03 5.096E+00 1.060E+05 7 10 6.24669E+04 4.52048E-01 4.37460E-01 2.451E-01 7.560E+02 1.257E+06 7 11 1.22630E+05 4.52048E-01 4.44617E-01 4.458E-01 2.700E+03 5.932E+05 7 12 1.77462E+05 4.52048E-01 4.57183E-01 -1.751E+00 5.115E+03 1.236E+05 7 13 9.14194E+04 4.52048E-01 4.62016E-01 -1.082E+00 1.628E+03 2.878E+05 7 14 4.89613E+04 4.52048E-01 4.70660E-01 -9.190E-03 7.407E+00 8.523E+03 7 15 4.13723E+04 4.52048E-01 4.74074E-01 -1.062E-01 7.234E+01 1.380E+05 7 16 3.22847E+04 4.52048E-01 4.80274E-01 -9.678E-03 5.143E+00 2.064E+04 8 1 1.18759E+03 4.67100E-01 -3.00223E-01 3.063E-05 1.796E-03 4.345E+05 8 2 2.21038E+03 4.67100E-01 5.48327E-02 2.819E-04 3.077E-02 1.154E+06 8 3 2.76248E+03 4.67100E-01 1.37227E-01 9.340E-07 1.274E-04 2.449E+03 8 4 4.43512E+03 4.67100E-01 2.61634E-01 1.051E-03 2.301E-01 1.069E+06 8 5 5.38647E+03 4.67100E-01 2.97923E-01 7.453E-06 1.983E-03 5.140E+03 8 6 8.20540E+03 4.67100E-01 3.56043E-01 3.000E-03 1.216E+00 8.916E+05 8 7 9.90949E+03 4.67100E-01 3.75141E-01 7.920E-05 3.876E-02 1.614E+04 8 8 1.51474E+04 4.67100E-01 4.06940E-01 8.613E-03 6.443E+00 7.512E+05 8 9 1.86277E+04 4.67100E-01 4.18180E-01 5.113E-04 4.703E-01 2.948E+04 8 10 3.07445E+04 4.67100E-01 4.37460E-01 3.170E-02 4.813E+01 6.711E+05 8 11 4.05314E+04 4.67100E-01 4.44617E-01 4.804E-03 9.615E+00 5.851E+04 8 12 9.18895E+04 4.67100E-01 4.57183E-01 2.997E-01 1.360E+03 7.103E+05 8 13 1.79242E+05 4.67100E-01 4.62016E-01 5.045E-01 4.466E+03 3.142E+05 8 14 2.55973E+05 4.67100E-01 4.70660E-01 -1.968E+00 8.293E+03 6.678E+04 8 15 1.30666E+05 4.67100E-01 4.74074E-01 -1.235E+00 2.657E+03 1.608E+05 8 16 6.91716E+04 4.67100E-01 4.80274E-01 -6.828E-03 7.774E+00 3.173E+03 9 1 1.17140E+03 4.77705E-01 -3.00223E-01 2.315E-05 1.339E-03 3.375E+05 9 2 2.15495E+03 4.77705E-01 5.48327E-02 1.904E-04 2.026E-02 8.204E+05 9 3 2.67643E+03 4.77705E-01 1.37227E-01 1.353E-06 1.788E-04 3.778E+03 9 4 4.21744E+03 4.77705E-01 2.61634E-01 6.680E-04 1.391E-01 7.515E+05 9 5 5.06873E+03 4.77705E-01 2.97923E-01 1.995E-06 4.994E-04 1.554E+03 9 6 7.49015E+03 4.77705E-01 3.56043E-01 1.731E-03 6.404E-01 6.175E+05 9 7 8.88486E+03 4.77705E-01 3.75141E-01 2.595E-05 1.138E-02 6.577E+03 9 8 1.28774E+04 4.77705E-01 4.06940E-01 4.208E-03 2.676E+00 5.078E+05 9 9 1.53090E+04 4.77705E-01 4.18180E-01 1.354E-04 1.024E-01 1.156E+04 9 10 2.26430E+04 4.77705E-01 4.37460E-01 1.108E-02 1.239E+01 4.324E+05 9 11 2.75407E+04 4.77705E-01 4.44617E-01 6.913E-04 9.402E-01 1.824E+04 9 12 4.44044E+04 4.77705E-01 4.57183E-01 3.875E-02 8.496E+01 3.932E+05 9 13 5.80831E+04 4.77705E-01 4.62016E-01 5.765E-03 1.654E+01 3.419E+04 9 14 1.29349E+05 4.77705E-01 4.70660E-01 3.547E-01 2.266E+03 4.242E+05 9 15 2.50969E+05 4.77705E-01 4.74074E-01 5.630E-01 6.977E+03 1.789E+05 9 16 3.54718E+05 4.77705E-01 4.80274E-01 -2.182E+00 1.274E+04 3.856E+04 5 1 1 5 1 0 :isi,li,ipi,isj,lj,ipj 8 16 128 : ni,nj,ntrs/i,j,wl(A),Ei(Ry),Ej(Ry),f,S,A(/s) 1 1 4.95448E+03 -1.16295E-01 -3.00223E-01 2.929E-01 7.165E+01 7.958E+07 1 2 5.32507E+03 -1.16295E-01 5.48327E-02 -2.347E-01 6.173E+01 5.521E+07 1 3 3.59443E+03 -1.16295E-01 1.37227E-01 -9.900E-02 1.757E+01 5.111E+07 1 4 2.41121E+03 -1.16295E-01 2.61634E-01 -3.595E-03 4.281E-01 4.125E+06 1 5 2.19997E+03 -1.16295E-01 2.97923E-01 -1.577E-02 1.714E+00 2.174E+07 1 6 1.92927E+03 -1.16295E-01 3.56043E-01 -3.317E-03 3.160E-01 5.943E+06 1 7 1.85429E+03 -1.16295E-01 3.75141E-01 -5.855E-03 5.362E-01 1.136E+07 1 8 1.74160E+03 -1.16295E-01 4.06940E-01 -2.126E-03 1.828E-01 4.675E+06 1 9 1.70498E+03 -1.16295E-01 4.18180E-01 -2.913E-03 2.452E-01 6.683E+06 1 10 1.64561E+03 -1.16295E-01 4.37460E-01 -1.379E-03 1.121E-01 3.397E+06 1 11 1.62462E+03 -1.16295E-01 4.44617E-01 -1.687E-03 1.354E-01 4.264E+06 1 12 1.58902E+03 -1.16295E-01 4.57183E-01 -9.333E-04 7.324E-02 2.465E+06 1 13 1.57574E+03 -1.16295E-01 4.62016E-01 -1.075E-03 8.362E-02 2.887E+06 1 14 1.55253E+03 -1.16295E-01 4.70660E-01 -6.579E-04 5.044E-02 1.821E+06 1 15 1.54356E+03 -1.16295E-01 4.74074E-01 -7.300E-04 5.564E-02 2.044E+06 1 16 1.52751E+03 -1.16295E-01 4.80274E-01 -4.801E-04 3.622E-02 1.372E+06 2 1 1.82802E+03 1.98276E-01 -3.00223E-01 4.065E-03 3.670E-01 8.114E+06 2 2 6.35280E+03 1.98276E-01 5.48327E-02 9.487E-02 2.976E+01 1.568E+07 2 3 1.49268E+04 1.98276E-01 1.37227E-01 3.913E-01 2.884E+02 1.171E+07 2 4 1.43828E+04 1.98276E-01 2.61634E-01 -3.537E-01 2.512E+02 1.140E+07 2 5 9.14495E+03 1.98276E-01 2.97923E-01 -1.826E-01 8.246E+01 1.456E+07 2 6 5.77603E+03 1.98276E-01 3.56043E-01 -1.451E-04 4.140E-02 2.902E+04 2 7 5.15233E+03 1.98276E-01 3.75141E-01 -2.660E-02 6.768E+00 6.683E+06 2 8 4.36715E+03 1.98276E-01 4.06940E-01 -9.787E-04 2.111E-01 3.423E+05 2 9 4.14393E+03 1.98276E-01 4.18180E-01 -9.720E-03 1.989E+00 3.775E+06 2 10 3.80990E+03 1.98276E-01 4.37460E-01 -8.513E-04 1.602E-01 3.912E+05 2 11 3.69921E+03 1.98276E-01 4.44617E-01 -4.840E-03 8.841E-01 2.359E+06 2 12 3.51967E+03 1.98276E-01 4.57183E-01 -6.352E-04 1.104E-01 3.420E+05 2 13 3.45517E+03 1.98276E-01 4.62016E-01 -2.823E-03 4.817E-01 1.577E+06 2 14 3.34552E+03 1.98276E-01 4.70660E-01 -4.679E-04 7.730E-02 2.788E+05 2 15 3.30411E+03 1.98276E-01 4.74074E-01 -1.814E-03 2.960E-01 1.108E+06 2 16 3.23147E+03 1.98276E-01 4.80274E-01 -3.495E-04 5.577E-02 2.232E+05 3 1 1.45553E+03 3.25850E-01 -3.00223E-01 2.494E-03 1.793E-01 7.852E+06 3 2 3.36239E+03 3.25850E-01 5.48327E-02 8.433E-03 1.400E+00 4.975E+06 3 3 4.83116E+03 3.25850E-01 1.37227E-01 2.885E-03 6.884E-01 8.245E+05 3 4 1.41907E+04 3.25850E-01 2.61634E-01 1.720E-01 1.205E+02 5.697E+06 3 5 3.26303E+04 3.25850E-01 2.97923E-01 4.981E-01 8.027E+02 3.120E+06 3 6 3.01814E+04 3.25850E-01 3.56043E-01 -4.557E-01 6.792E+02 3.337E+06 3 7 1.84875E+04 3.25850E-01 3.75141E-01 -2.661E-01 2.429E+02 5.192E+06 3 8 1.12377E+04 3.25850E-01 4.06940E-01 -2.198E-04 1.220E-01 1.161E+04 3 9 9.86968E+03 3.25850E-01 4.18180E-01 -3.730E-02 1.818E+01 2.554E+06 3 10 8.16474E+03 3.25850E-01 4.37460E-01 -2.467E-04 9.948E-02 2.469E+04 3 11 7.67273E+03 3.25850E-01 4.44617E-01 -1.351E-02 5.120E+00 1.531E+06 3 12 6.93860E+03 3.25850E-01 4.57183E-01 -3.525E-04 1.208E-01 4.883E+04 3 13 6.69233E+03 3.25850E-01 4.62016E-01 -6.733E-03 2.225E+00 1.003E+06 3 14 6.29285E+03 3.25850E-01 4.70660E-01 -3.129E-04 9.722E-02 5.270E+04 3 15 6.14791E+03 3.25850E-01 4.74074E-01 -3.945E-03 1.198E+00 6.961E+05 3 16 5.90107E+03 3.25850E-01 4.80274E-01 -2.532E-04 7.378E-02 4.850E+04 4 1 1.31986E+03 3.90204E-01 -3.00223E-01 1.407E-03 9.173E-02 5.388E+06 4 2 2.71719E+03 3.90204E-01 5.48327E-02 2.659E-03 3.568E-01 2.402E+06 4 3 3.60217E+03 3.90204E-01 1.37227E-01 2.204E-03 3.921E-01 1.133E+06 4 4 7.08771E+03 3.90204E-01 2.61634E-01 1.640E-02 5.740E+00 2.177E+06 4 5 9.87491E+03 3.90204E-01 2.97923E-01 1.811E-03 8.830E-01 1.238E+05 4 6 2.66757E+04 3.90204E-01 3.56043E-01 2.493E-01 3.284E+02 2.336E+06 4 7 6.04970E+04 3.90204E-01 3.75141E-01 6.037E-01 1.803E+03 1.100E+06 4 8 5.44495E+04 3.90204E-01 4.06940E-01 -5.517E-01 1.484E+03 1.241E+06 4 9 3.25732E+04 3.90204E-01 4.18180E-01 -3.497E-01 5.624E+02 2.198E+06 4 10 1.92836E+04 3.90204E-01 4.37460E-01 -1.143E-03 1.089E+00 2.051E+04 4 11 1.67472E+04 3.90204E-01 4.44617E-01 -4.793E-02 3.964E+01 1.140E+06 4 12 1.36053E+04 3.90204E-01 4.57183E-01 -2.121E-05 1.425E-02 7.644E+02 4 13 1.26896E+04 3.90204E-01 4.62016E-01 -1.725E-02 1.081E+01 7.146E+05 4 14 1.13263E+04 3.90204E-01 4.70660E-01 -1.260E-04 7.047E-02 6.551E+03 4 15 1.08652E+04 3.90204E-01 4.74074E-01 -8.593E-03 4.611E+00 4.855E+05 4 16 1.01173E+04 3.90204E-01 4.80274E-01 -1.475E-04 7.368E-02 9.609E+03 5 1 1.25270E+03 4.27217E-01 -3.00223E-01 8.553E-04 5.291E-02 3.635E+06 5 2 2.44711E+03 4.27217E-01 5.48327E-02 1.229E-03 1.485E-01 1.368E+06 5 3 3.14241E+03 4.27217E-01 1.37227E-01 1.344E-03 2.086E-01 9.078E+05 5 4 5.50339E+03 4.27217E-01 2.61634E-01 5.311E-03 1.443E+00 1.170E+06 5 5 7.04802E+03 4.27217E-01 2.97923E-01 1.810E-03 6.300E-01 2.430E+05 5 6 1.28034E+04 4.27217E-01 3.56043E-01 2.436E-02 1.540E+01 9.912E+05 5 7 1.74988E+04 4.27217E-01 3.75141E-01 1.156E-03 9.989E-01 2.518E+04 5 8 4.49409E+04 4.27217E-01 4.06940E-01 3.261E-01 7.238E+02 1.077E+06 5 9 1.00837E+05 4.27217E-01 4.18180E-01 7.087E-01 3.529E+03 4.649E+05 5 10 8.89649E+04 4.27217E-01 4.37460E-01 -6.448E-01 2.833E+03 5.434E+05 5 11 5.23717E+04 4.27217E-01 4.44617E-01 -4.333E-01 1.121E+03 1.054E+06 5 12 3.04100E+04 4.27217E-01 4.57183E-01 -2.368E-03 3.556E+00 1.708E+04 5 13 2.61866E+04 4.27217E-01 4.62016E-01 -5.850E-02 7.565E+01 5.690E+05 5 14 2.09762E+04 4.27217E-01 4.70660E-01 -1.613E-05 1.671E-02 2.446E+02 5 15 1.94478E+04 4.27217E-01 4.74074E-01 -2.095E-02 2.012E+01 3.694E+05 5 16 1.71753E+04 4.27217E-01 4.80274E-01 -2.818E-05 2.390E-02 6.372E+02 6 1 1.21392E+03 4.50459E-01 -3.00223E-01 5.563E-04 3.335E-02 2.518E+06 6 2 2.30335E+03 4.50459E-01 5.48327E-02 6.833E-04 7.772E-02 8.591E+05 6 3 2.90924E+03 4.50459E-01 1.37227E-01 8.580E-04 1.233E-01 6.762E+05 6 4 4.82599E+03 4.50459E-01 2.61634E-01 2.498E-03 5.953E-01 7.154E+05 6 5 5.97411E+03 4.50459E-01 2.97923E-01 1.193E-03 3.519E-01 2.229E+05 6 6 9.65162E+03 4.50459E-01 3.56043E-01 7.967E-03 3.797E+00 5.704E+05 6 7 1.20989E+04 4.50459E-01 3.75141E-01 1.519E-03 9.074E-01 6.920E+04 6 8 2.09395E+04 4.50459E-01 4.06940E-01 3.218E-02 3.328E+01 4.895E+05 6 9 2.82309E+04 4.50459E-01 4.18180E-01 7.373E-04 1.028E+00 6.171E+03 6 10 7.01029E+04 4.50459E-01 4.37460E-01 4.028E-01 1.394E+03 5.467E+05 6 11 1.55985E+05 4.50459E-01 4.44617E-01 8.133E-01 6.265E+03 2.230E+05 6 12 1.35525E+05 4.50459E-01 4.57183E-01 -7.360E-01 4.926E+03 2.673E+05 6 13 7.88499E+04 4.50459E-01 4.62016E-01 -5.171E-01 2.013E+03 5.547E+05 6 14 4.51100E+04 4.50459E-01 4.70660E-01 -3.717E-03 8.281E+00 1.218E+04 6 15 3.85885E+04 4.50459E-01 4.74074E-01 -6.900E-02 1.315E+02 3.091E+05 6 16 3.05641E+04 4.50459E-01 4.80274E-01 -1.227E-04 1.851E-01 8.758E+02 7 1 1.18929E+03 4.66008E-01 -3.00223E-01 3.815E-04 2.240E-02 1.799E+06 7 2 2.21625E+03 4.66008E-01 5.48327E-02 4.251E-04 4.652E-02 5.772E+05 7 3 2.77165E+03 4.66008E-01 1.37227E-01 5.781E-04 7.913E-02 5.020E+05 7 4 4.45882E+03 4.66008E-01 2.61634E-01 1.411E-03 3.108E-01 4.735E+05 7 5 5.42147E+03 4.66008E-01 2.97923E-01 7.953E-04 2.129E-01 1.805E+05 7 6 8.28688E+03 4.66008E-01 3.56043E-01 3.777E-03 1.545E+00 3.668E+05 7 7 1.00286E+04 4.66008E-01 3.75141E-01 1.067E-03 5.282E-01 7.074E+04 7 8 1.54274E+04 4.66008E-01 4.06940E-01 1.057E-02 8.050E+00 2.961E+05 7 9 1.90530E+04 4.66008E-01 4.18180E-01 1.300E-03 1.223E+00 2.389E+04 7 10 3.19205E+04 4.66008E-01 4.37460E-01 3.987E-02 6.285E+01 2.610E+05 7 11 4.26005E+04 4.66008E-01 4.44617E-01 4.614E-04 9.706E-01 1.696E+03 7 12 1.03260E+05 4.66008E-01 4.57183E-01 4.793E-01 2.444E+03 2.998E+05 7 13 2.28272E+05 4.66008E-01 4.62016E-01 9.173E-01 1.034E+04 1.174E+05 7 14 1.95887E+05 4.66008E-01 4.70660E-01 -8.260E-01 7.990E+03 1.436E+05 7 15 1.12976E+05 4.66008E-01 4.74074E-01 -6.008E-01 3.352E+03 3.140E+05 7 16 6.38769E+04 4.66008E-01 4.80274E-01 -5.123E-03 1.616E+01 8.374E+03 8 1 1.17258E+03 4.76922E-01 -3.00223E-01 2.728E-04 1.580E-02 1.323E+06 8 2 2.15894E+03 4.76922E-01 5.48327E-02 2.845E-04 3.033E-02 4.072E+05 8 3 2.68260E+03 4.76922E-01 1.37227E-01 4.077E-04 5.401E-02 3.779E+05 8 4 4.23278E+03 4.76922E-01 2.61634E-01 8.887E-04 1.858E-01 3.308E+05 8 5 5.09091E+03 4.76922E-01 2.97923E-01 5.531E-04 1.391E-01 1.423E+05 8 6 7.53867E+03 4.76922E-01 3.56043E-01 2.149E-03 8.001E-01 2.522E+05 8 7 8.95321E+03 4.76922E-01 3.75141E-01 7.367E-04 3.257E-01 6.130E+04 8 8 1.30215E+04 4.76922E-01 4.06940E-01 5.031E-03 3.235E+00 1.979E+05 8 9 1.55130E+04 4.76922E-01 4.18180E-01 9.653E-04 7.395E-01 2.675E+04 8 10 2.30923E+04 4.76922E-01 4.37460E-01 1.311E-02 1.495E+01 1.640E+05 8 11 2.82082E+04 4.76922E-01 4.44617E-01 1.132E-03 1.577E+00 9.489E+03 8 12 4.61658E+04 4.76922E-01 4.57183E-01 4.745E-02 1.082E+02 1.485E+05 8 13 6.11342E+04 4.76922E-01 4.62016E-01 2.773E-04 8.372E-01 4.949E+02 8 14 1.45523E+05 4.76922E-01 4.70660E-01 5.559E-01 3.995E+03 1.751E+05 8 15 3.19967E+05 4.76922E-01 4.74074E-01 1.021E+00 1.614E+04 6.654E+04 8 16 2.71859E+05 4.76922E-01 4.80274E-01 -9.160E-01 1.230E+04 8.267E+04 5 2 1 5 1 0 :isi,li,ipi,isj,lj,ipj 15 16 240 : ni,nj,ntrs/i,j,wl(A),Ei(Ry),Ej(Ry),f,S,A(/s) 1 1 5.51601E+03 -1.35019E-01 -3.00223E-01 4.585E-01 1.249E+02 6.031E+07 1 2 4.79989E+03 -1.35019E-01 5.48327E-02 -1.169E-03 4.619E-01 5.641E+05 1 3 3.34722E+03 -1.35019E-01 1.37227E-01 -1.306E-01 3.597E+01 1.295E+08 1 4 2.29739E+03 -1.35019E-01 2.61634E-01 -9.400E-04 1.777E-01 1.980E+06 1 5 2.10482E+03 -1.35019E-01 2.97923E-01 -2.004E-02 3.471E+00 5.027E+07 1 6 1.85571E+03 -1.35019E-01 3.56043E-01 -5.520E-04 8.431E-02 1.782E+06 1 7 1.78624E+03 -1.35019E-01 3.75141E-01 -7.336E-03 1.078E+00 2.556E+07 1 8 1.68143E+03 -1.35019E-01 4.06940E-01 -3.204E-04 4.433E-02 1.260E+06 1 9 1.64727E+03 -1.35019E-01 4.18180E-01 -3.626E-03 4.916E-01 1.486E+07 1 10 1.59179E+03 -1.35019E-01 4.37460E-01 -1.994E-04 2.613E-02 8.750E+05 1 11 1.57214E+03 -1.35019E-01 4.44617E-01 -2.094E-03 2.709E-01 9.418E+06 1 12 1.53878E+03 -1.35019E-01 4.57183E-01 -1.321E-04 1.673E-02 6.203E+05 1 13 1.52632E+03 -1.35019E-01 4.62016E-01 -1.331E-03 1.672E-01 6.352E+06 1 14 1.50454E+03 -1.35019E-01 4.70660E-01 -9.192E-05 1.138E-02 4.514E+05 1 15 1.49610E+03 -1.35019E-01 4.74074E-01 -9.036E-04 1.113E-01 4.488E+06 1 16 1.48103E+03 -1.35019E-01 4.80274E-01 -6.652E-05 8.108E-03 3.371E+05 2 1 1.84641E+03 1.93311E-01 -3.00223E-01 1.553E-02 1.416E+00 1.823E+07 2 2 6.58058E+03 1.93311E-01 5.48327E-02 3.003E-03 9.760E-01 2.776E+05 2 3 1.62483E+04 1.93311E-01 1.37227E-01 6.747E-01 5.413E+02 1.023E+07 2 4 1.33376E+04 1.93311E-01 2.61634E-01 -1.363E-03 1.496E+00 8.516E+04 2 5 8.71092E+03 1.93311E-01 2.97923E-01 -2.225E-01 1.595E+02 3.260E+07 2 6 5.59980E+03 1.93311E-01 3.56043E-01 -2.972E-04 1.370E-01 1.054E+05 2 7 5.01164E+03 1.93311E-01 3.75141E-01 -3.262E-02 1.345E+01 1.444E+07 2 8 4.26565E+03 1.93311E-01 4.06940E-01 -2.091E-04 7.342E-02 1.278E+05 2 9 4.05244E+03 1.93311E-01 4.18180E-01 -1.185E-02 3.953E+00 8.023E+06 2 10 3.73242E+03 1.93311E-01 4.37460E-01 -1.325E-04 4.071E-02 1.057E+05 2 11 3.62613E+03 1.93311E-01 4.44617E-01 -5.880E-03 1.755E+00 4.971E+06 2 12 3.45344E+03 1.93311E-01 4.57183E-01 -8.752E-05 2.488E-02 8.158E+04 2 13 3.39133E+03 1.93311E-01 4.62016E-01 -3.422E-03 9.552E-01 3.308E+06 2 14 3.28563E+03 1.93311E-01 4.70660E-01 -6.056E-05 1.638E-02 6.236E+04 2 15 3.24568E+03 1.93311E-01 4.74074E-01 -2.196E-03 5.865E-01 2.317E+06 2 16 3.17556E+03 1.93311E-01 4.80274E-01 -4.356E-05 1.138E-02 4.802E+04 3 1 1.59939E+03 2.69537E-01 -3.00223E-01 7.113E-04 5.618E-02 1.113E+06 3 2 4.24429E+03 2.69537E-01 5.48327E-02 9.147E-01 1.917E+02 2.032E+08 3 3 6.88736E+03 2.69537E-01 1.37227E-01 1.856E-02 6.312E+00 1.566E+06 3 4 1.15306E+05 2.69537E-01 2.61634E-01 1.014E-01 5.774E+02 3.052E+04 3 5 3.21027E+04 2.69537E-01 2.97923E-01 -3.053E-03 8.066E+00 3.293E+04 3 6 1.05341E+04 2.69537E-01 3.56043E-01 -1.540E-02 1.335E+01 1.542E+06 3 7 8.62910E+03 2.69537E-01 3.75141E-01 -1.851E-05 1.314E-02 2.763E+03 3 8 6.63208E+03 2.69537E-01 4.06940E-01 -2.594E-03 1.416E+00 6.555E+05 3 9 6.13058E+03 2.69537E-01 4.18180E-01 -4.756E-06 2.400E-03 1.407E+03 3 10 5.42670E+03 2.69537E-01 4.37460E-01 -9.188E-04 4.104E-01 3.468E+05 3 11 5.20486E+03 2.69537E-01 4.44617E-01 -2.157E-06 9.239E-04 8.850E+02 3 12 4.85631E+03 2.69537E-01 4.57183E-01 -4.428E-04 1.770E-01 2.087E+05 3 13 4.73437E+03 2.69537E-01 4.62016E-01 -1.215E-06 4.735E-04 6.027E+02 3 14 4.53089E+03 2.69537E-01 4.70660E-01 -2.519E-04 9.393E-02 1.364E+05 3 15 4.45527E+03 2.69537E-01 4.74074E-01 -7.688E-07 2.819E-04 4.306E+02 3 16 4.32419E+03 2.69537E-01 4.80274E-01 -1.590E-04 5.660E-02 9.455E+04 4 1 1.46073E+03 3.23619E-01 -3.00223E-01 7.533E-03 5.434E-01 1.413E+07 4 2 3.39030E+03 3.23619E-01 5.48327E-02 5.233E-06 8.762E-04 1.822E+03 4 3 4.88898E+03 3.23619E-01 1.37227E-01 1.001E-02 2.416E+00 1.675E+06 4 4 1.47014E+04 3.23619E-01 2.61634E-01 2.294E-03 1.665E+00 4.248E+04 4 5 3.54634E+04 3.23619E-01 2.97923E-01 8.793E-01 1.540E+03 2.798E+06 4 6 2.81047E+04 3.23619E-01 3.56043E-01 -1.236E-03 2.859E+00 1.739E+04 4 7 1.76870E+04 3.23619E-01 3.75141E-01 -3.155E-01 4.592E+02 1.121E+07 4 8 1.09368E+04 3.23619E-01 4.06940E-01 -1.816E-04 1.635E-01 1.688E+04 4 9 9.63682E+03 3.23619E-01 4.18180E-01 -4.536E-02 3.598E+01 5.430E+06 4 10 8.00474E+03 3.23619E-01 4.37460E-01 -1.378E-04 9.078E-02 2.391E+04 4 11 7.53126E+03 3.23619E-01 4.44617E-01 -1.642E-02 1.018E+01 3.219E+06 4 12 6.82270E+03 3.23619E-01 4.57183E-01 -9.088E-05 5.103E-02 2.170E+04 4 13 6.58444E+03 3.23619E-01 4.62016E-01 -8.168E-03 4.426E+00 2.094E+06 4 14 6.19737E+03 3.23619E-01 4.70660E-01 -6.180E-05 3.152E-02 1.789E+04 4 15 6.05674E+03 3.23619E-01 4.74074E-01 -4.776E-03 2.381E+00 1.447E+06 4 16 5.81703E+03 3.23619E-01 4.80274E-01 -4.376E-05 2.095E-02 1.438E+04 5 1 1.38026E+03 3.59993E-01 -3.00223E-01 3.256E-04 2.219E-02 6.840E+05 5 2 2.98619E+03 3.59993E-01 5.48327E-02 1.645E-01 2.425E+01 7.381E+07 5 3 4.09069E+03 3.59993E-01 1.37227E-01 9.833E-04 1.986E-01 2.352E+05 5 4 9.26470E+03 3.59993E-01 2.61634E-01 7.280E-01 3.331E+02 3.394E+07 5 5 1.46813E+04 3.59993E-01 2.97923E-01 2.162E-02 1.567E+01 4.014E+05 5 6 2.30701E+05 3.59993E-01 3.56043E-01 1.791E-01 2.040E+03 1.346E+04 5 7 6.01576E+04 3.59993E-01 3.75141E-01 -5.548E-03 2.747E+01 1.704E+04 5 8 1.94105E+04 3.59993E-01 4.06940E-01 -3.759E-02 6.005E+01 1.109E+06 5 9 1.56610E+04 3.59993E-01 4.18180E-01 -3.044E-05 3.924E-02 1.380E+03 5 10 1.17633E+04 3.59993E-01 4.37460E-01 -6.716E-03 6.502E+00 5.395E+05 5 11 1.07684E+04 3.59993E-01 4.44617E-01 -7.488E-06 6.636E-03 7.178E+02 5 12 9.37614E+03 3.59993E-01 4.57183E-01 -2.446E-03 1.887E+00 3.092E+05 5 13 8.93198E+03 3.59993E-01 4.62016E-01 -3.360E-06 2.470E-03 4.682E+02 5 14 8.23432E+03 3.59993E-01 4.70660E-01 -1.197E-03 8.114E-01 1.963E+05 5 15 7.98790E+03 3.59993E-01 4.74074E-01 -1.893E-06 1.244E-03 3.298E+02 5 16 7.57615E+03 3.59993E-01 4.80274E-01 -6.888E-04 4.295E-01 1.334E+05 6 1 1.32217E+03 3.88998E-01 -3.00223E-01 3.978E-03 2.597E-01 9.107E+06 6 2 2.72699E+03 3.88998E-01 5.48327E-02 2.001E-05 2.695E-03 1.077E+04 6 3 3.61943E+03 3.88998E-01 1.37227E-01 5.948E-03 1.063E+00 1.817E+06 6 4 7.15482E+03 3.88998E-01 2.61634E-01 1.993E-06 7.040E-04 1.558E+02 6 5 1.00057E+04 3.88998E-01 2.97923E-01 7.500E-03 3.706E+00 2.998E+05 6 6 2.76519E+04 3.88998E-01 3.56043E-01 1.751E-03 2.391E+00 9.163E+03 6 7 6.57622E+04 3.88998E-01 3.75141E-01 1.079E+00 3.505E+03 9.988E+05 6 8 5.07896E+04 3.88998E-01 4.06940E-01 -1.142E-03 4.772E+00 4.920E+03 6 9 3.12270E+04 3.88998E-01 4.18180E-01 -4.084E-01 1.050E+03 4.656E+06 6 10 1.88037E+04 3.88998E-01 4.37460E-01 -1.298E-04 2.009E-01 4.082E+03 6 11 1.63841E+04 3.88998E-01 4.44617E-01 -5.804E-02 7.826E+01 2.404E+06 6 12 1.33646E+04 3.88998E-01 4.57183E-01 -1.042E-04 1.146E-01 6.483E+03 6 13 1.24800E+04 3.88998E-01 4.62016E-01 -2.096E-02 2.153E+01 1.496E+06 6 14 1.11590E+04 3.88998E-01 4.70660E-01 -7.068E-05 6.491E-02 6.310E+03 6 15 1.07112E+04 3.88998E-01 4.74074E-01 -1.044E-02 9.200E+00 1.011E+06 6 16 9.98365E+03 3.88998E-01 4.80274E-01 -4.908E-05 4.033E-02 5.474E+03 7 1 1.28450E+03 4.09211E-01 -3.00223E-01 1.716E-04 1.088E-02 4.162E+05 7 2 2.57145E+03 4.09211E-01 5.48327E-02 5.963E-02 7.572E+00 3.609E+07 7 3 3.35044E+03 4.09211E-01 1.37227E-01 1.993E-04 3.298E-02 7.106E+04 7 4 6.17486E+03 4.09211E-01 2.61634E-01 1.770E-01 5.397E+01 1.858E+07 7 5 8.18837E+03 4.09211E-01 2.97923E-01 1.893E-03 7.656E-01 1.130E+05 7 6 1.71394E+04 4.09211E-01 3.56043E-01 6.506E-01 5.507E+02 8.863E+06 7 7 2.67469E+04 4.09211E-01 3.75141E-01 2.455E-02 3.242E+01 1.373E+05 7 8 4.01263E+05 4.09211E-01 4.06940E-01 2.488E-01 4.930E+03 6.184E+03 7 9 1.01602E+05 4.09211E-01 4.18180E-01 -7.900E-03 6.606E+01 8.507E+03 7 10 3.22584E+04 4.09211E-01 4.37460E-01 -6.396E-02 1.698E+02 6.833E+05 7 11 2.57377E+04 4.09211E-01 4.44617E-01 -3.645E-05 7.722E-02 6.117E+02 7 12 1.89958E+04 4.09211E-01 4.57183E-01 -1.183E-02 1.850E+01 3.645E+05 7 13 1.72572E+04 4.09211E-01 4.62016E-01 -8.496E-06 1.207E-02 3.171E+02 7 14 1.48297E+04 4.09211E-01 4.70660E-01 -4.384E-03 5.351E+00 2.216E+05 7 15 1.40491E+04 4.09211E-01 4.74074E-01 -3.780E-06 4.370E-03 2.129E+02 7 16 1.28234E+04 4.09211E-01 4.80274E-01 -2.171E-03 2.291E+00 1.468E+05 8 1 1.25396E+03 4.26490E-01 -3.00223E-01 2.344E-03 1.451E-01 5.966E+06 8 2 2.45190E+03 4.26490E-01 5.48327E-02 1.668E-05 2.020E-03 1.110E+04 8 3 3.15031E+03 4.26490E-01 1.37227E-01 3.403E-03 5.294E-01 1.372E+06 8 4 5.52765E+03 4.26490E-01 2.61634E-01 4.235E-06 1.156E-03 5.547E+02 8 5 7.08788E+03 4.26490E-01 2.97923E-01 5.181E-03 1.814E+00 4.127E+05 8 6 1.29355E+04 4.26490E-01 3.56043E-01 5.197E-06 3.320E-03 1.243E+02 8 7 1.77465E+04 4.26490E-01 3.75141E-01 6.027E-03 5.282E+00 7.659E+04 8 8 4.66121E+04 4.26490E-01 4.06940E-01 1.356E-03 3.121E+00 2.498E+03 8 9 1.09659E+05 4.26490E-01 4.18180E-01 1.277E+00 6.913E+03 4.249E+05 8 10 8.30690E+04 4.26490E-01 4.37460E-01 -1.072E-03 7.329E+00 1.727E+03 8 11 5.02713E+04 4.26490E-01 4.44617E-01 -5.008E-01 2.072E+03 2.203E+06 8 12 2.96897E+04 4.26490E-01 4.57183E-01 -9.980E-05 2.439E-01 1.259E+03 8 13 2.56507E+04 4.26490E-01 4.62016E-01 -7.064E-02 1.491E+02 1.193E+06 8 14 2.06309E+04 4.26490E-01 4.70660E-01 -8.376E-05 1.422E-01 2.188E+03 8 15 1.91507E+04 4.26490E-01 4.74074E-01 -2.545E-02 4.012E+01 7.715E+05 8 16 1.69431E+04 4.26490E-01 4.80274E-01 -5.812E-05 8.105E-02 2.251E+03 9 1 1.23293E+03 4.38885E-01 -3.00223E-01 1.015E-04 6.182E-03 2.673E+05 9 2 2.37277E+03 4.38885E-01 5.48327E-02 2.902E-02 3.400E+00 2.063E+07 9 3 3.02086E+03 4.38885E-01 1.37227E-01 6.753E-05 1.007E-02 2.962E+04 9 4 5.14111E+03 4.38885E-01 2.61634E-01 7.280E-02 1.848E+01 1.102E+07 9 5 6.46463E+03 4.38885E-01 2.97923E-01 5.109E-04 1.631E-01 4.892E+04 9 6 1.10001E+04 4.38885E-01 3.56043E-01 1.759E-01 9.553E+01 5.816E+06 9 7 1.42957E+04 4.38885E-01 3.75141E-01 2.571E-03 1.815E+00 5.034E+04 9 8 2.85261E+04 4.38885E-01 4.06940E-01 6.155E-01 8.671E+02 3.027E+06 9 9 4.40119E+04 4.38885E-01 4.18180E-01 2.733E-02 5.941E+01 5.647E+04 9 10 6.39487E+05 4.38885E-01 4.37460E-01 3.141E-01 9.918E+03 3.073E+03 9 11 1.58979E+05 4.38885E-01 4.44617E-01 -1.017E-02 1.330E+02 4.472E+03 9 12 4.98015E+04 4.38885E-01 4.57183E-01 -9.308E-02 3.815E+02 4.172E+05 9 13 3.93960E+04 4.38885E-01 4.62016E-01 -3.886E-05 1.260E-01 2.784E+02 9 14 2.86787E+04 4.38885E-01 4.70660E-01 -1.762E-02 4.160E+01 2.382E+05 9 15 2.58964E+04 4.38885E-01 4.74074E-01 -8.484E-06 1.808E-02 1.406E+02 9 16 2.20171E+04 4.38885E-01 4.80274E-01 -6.616E-03 1.199E+01 1.517E+05 10 1 1.21468E+03 4.49987E-01 -3.00223E-01 1.497E-03 8.981E-02 4.061E+06 10 2 2.30610E+03 4.49987E-01 5.48327E-02 1.223E-05 1.392E-03 9.201E+03 10 3 2.91363E+03 4.49987E-01 1.37227E-01 2.110E-03 3.036E-01 9.947E+05 10 4 4.83808E+03 4.49987E-01 2.61634E-01 6.063E-06 1.448E-03 1.037E+03 10 5 5.99266E+03 4.49987E-01 2.97923E-01 3.127E-03 9.253E-01 3.484E+05 10 6 9.70011E+03 4.49987E-01 3.56043E-01 1.395E-06 6.681E-04 5.932E+01 10 7 1.21752E+04 4.49987E-01 3.75141E-01 4.707E-03 2.830E+00 1.271E+05 10 8 2.11691E+04 4.49987E-01 4.06940E-01 5.199E-06 5.435E-03 4.643E+01 10 9 2.86499E+04 4.49987E-01 4.18180E-01 5.057E-03 7.154E+00 2.465E+04 10 10 7.27443E+04 4.49987E-01 4.37460E-01 1.066E-03 3.829E+00 8.062E+02 10 11 1.69696E+05 4.49987E-01 4.44617E-01 1.472E+00 1.234E+04 2.046E+05 10 12 1.26635E+05 4.49987E-01 4.57183E-01 -1.020E-03 1.064E+01 7.073E+02 10 13 7.57559E+04 4.49987E-01 4.62016E-01 -5.936E-01 3.701E+03 1.150E+06 10 14 4.40800E+04 4.49987E-01 4.70660E-01 -7.996E-05 2.901E-01 4.575E+02 10 15 3.78323E+04 4.49987E-01 4.74074E-01 -8.316E-02 2.589E+02 6.459E+05 10 16 3.00877E+04 4.49987E-01 4.80274E-01 -6.984E-05 1.729E-01 8.576E+02 11 1 1.20163E+03 4.58136E-01 -3.00223E-01 6.523E-05 3.871E-03 1.808E+05 11 2 2.25951E+03 4.58136E-01 5.48327E-02 1.659E-02 1.851E+00 1.300E+07 11 3 2.83964E+03 4.58136E-01 1.37227E-01 3.015E-05 4.227E-03 1.496E+04 11 4 4.63744E+03 4.58136E-01 2.61634E-01 3.801E-02 8.704E+00 7.072E+06 11 5 5.68785E+03 4.58136E-01 2.97923E-01 2.096E-04 5.887E-02 2.593E+04 11 6 8.92585E+03 4.58136E-01 3.56043E-01 7.660E-02 3.376E+01 3.848E+06 11 7 1.09798E+04 4.58136E-01 3.75141E-01 7.700E-04 4.175E-01 2.556E+04 11 8 1.77996E+04 4.58136E-01 4.06940E-01 1.743E-01 1.532E+02 2.201E+06 11 9 2.28068E+04 4.58136E-01 4.18180E-01 3.122E-03 3.516E+00 2.402E+04 11 10 4.40737E+04 4.58136E-01 4.37460E-01 6.012E-01 1.308E+03 1.239E+06 11 11 6.74065E+04 4.58136E-01 4.44617E-01 3.006E-02 1.001E+02 2.648E+04 11 12 9.56220E+05 4.58136E-01 4.57183E-01 3.763E-01 1.777E+04 1.647E+03 11 13 2.34863E+05 4.58136E-01 4.62016E-01 -1.238E-02 2.393E+02 2.495E+03 11 14 7.27616E+04 4.58136E-01 4.70660E-01 -1.241E-01 7.433E+02 2.606E+05 11 15 5.71757E+04 4.58136E-01 4.74074E-01 -3.915E-05 1.842E-01 1.331E+02 11 16 4.11630E+04 4.58136E-01 4.80274E-01 -2.390E-02 8.096E+01 1.568E+05 12 1 1.18979E+03 4.65685E-01 -3.00223E-01 1.015E-03 5.965E-02 2.870E+06 12 2 2.21799E+03 4.65685E-01 5.48327E-02 8.900E-06 9.748E-04 7.240E+03 12 3 2.77438E+03 4.65685E-01 1.37227E-01 1.399E-03 1.917E-01 7.275E+05 12 4 4.46588E+03 4.65685E-01 2.61634E-01 5.467E-06 1.206E-03 1.097E+03 12 5 5.43190E+03 4.65685E-01 2.97923E-01 2.005E-03 5.379E-01 2.720E+05 12 6 8.31130E+03 4.65685E-01 3.56043E-01 3.139E-06 1.288E-03 1.818E+02 12 7 1.00644E+04 4.65685E-01 3.75141E-01 2.953E-03 1.467E+00 1.167E+05 12 8 1.55122E+04 4.65685E-01 4.06940E-01 8.233E-07 6.307E-04 1.369E+01 12 9 1.91825E+04 4.65685E-01 4.18180E-01 4.386E-03 4.155E+00 4.770E+04 12 10 3.22858E+04 4.65685E-01 4.37460E-01 3.986E-06 6.355E-03 1.530E+01 12 11 4.32536E+04 4.65685E-01 4.44617E-01 4.373E-03 9.340E+00 9.353E+03 12 12 1.07183E+05 4.65685E-01 4.57183E-01 8.480E-04 4.488E+00 2.954E+02 12 13 2.48368E+05 4.65685E-01 4.62016E-01 1.667E+00 2.044E+04 1.081E+05 12 14 1.83170E+05 4.65685E-01 4.70660E-01 -9.824E-04 1.481E+01 3.255E+02 12 15 1.08626E+05 4.65685E-01 4.74074E-01 -6.860E-01 6.133E+03 6.463E+05 12 16 6.24627E+04 4.65685E-01 4.80274E-01 -6.576E-05 3.381E-01 1.874E+02 13 1 1.18108E+03 4.71329E-01 -3.00223E-01 4.449E-05 2.595E-03 1.276E+05 13 2 2.18794E+03 4.71329E-01 5.48327E-02 1.048E-02 1.132E+00 8.761E+06 13 3 2.72751E+03 4.71329E-01 1.37227E-01 1.594E-05 2.147E-03 8.575E+03 13 4 4.34568E+03 4.71329E-01 2.61634E-01 2.273E-02 4.879E+00 4.817E+06 13 5 5.25511E+03 4.71329E-01 2.97923E-01 1.072E-04 2.782E-02 1.553E+04 13 6 7.90440E+03 4.71329E-01 3.56043E-01 4.149E-02 1.619E+01 2.657E+06 13 7 9.47381E+03 4.71329E-01 3.75141E-01 3.378E-04 1.580E-01 1.506E+04 13 8 1.41525E+04 4.71329E-01 4.06940E-01 7.820E-02 5.465E+01 1.562E+06 13 9 1.71455E+04 4.71329E-01 4.18180E-01 9.860E-04 8.348E-01 1.342E+04 13 10 2.69056E+04 4.71329E-01 4.37460E-01 1.740E-01 2.312E+02 9.619E+05 13 11 3.41145E+04 4.71329E-01 4.44617E-01 3.608E-03 6.078E+00 1.241E+04 13 12 6.44187E+04 4.71329E-01 4.57183E-01 5.985E-01 1.904E+03 5.772E+05 13 13 9.78488E+04 4.71329E-01 4.62016E-01 3.276E-02 1.583E+02 1.369E+04 13 14 1.36213E+06 4.71329E-01 4.70660E-01 4.365E-01 2.936E+04 9.416E+02 13 15 3.31973E+05 4.71329E-01 4.74074E-01 -1.455E-02 3.976E+02 1.468E+03 13 16 1.01875E+05 4.71329E-01 4.80274E-01 -1.565E-01 1.312E+03 1.676E+05 14 1 1.17293E+03 4.76691E-01 -3.00223E-01 7.207E-04 4.174E-02 2.096E+06 14 2 2.16013E+03 4.76691E-01 5.48327E-02 6.591E-06 7.031E-04 5.653E+03 14 3 2.68443E+03 4.76691E-01 1.37227E-01 9.767E-04 1.295E-01 5.424E+05 14 4 4.23733E+03 4.76691E-01 2.61634E-01 4.471E-06 9.356E-04 9.966E+02 14 5 5.09748E+03 4.76691E-01 2.97923E-01 1.363E-03 3.432E-01 2.100E+05 14 6 7.55311E+03 4.76691E-01 3.56043E-01 3.233E-06 1.206E-03 2.268E+02 14 7 8.97358E+03 4.76691E-01 3.75141E-01 1.939E-03 8.591E-01 9.635E+04 14 8 1.30646E+04 4.76691E-01 4.06940E-01 2.267E-06 1.463E-03 5.316E+01 14 9 1.55743E+04 4.76691E-01 4.18180E-01 2.833E-03 2.179E+00 4.675E+04 14 10 2.32282E+04 4.76691E-01 4.37460E-01 7.607E-07 8.725E-04 5.642E+00 14 11 2.84114E+04 4.76691E-01 4.44617E-01 4.162E-03 5.839E+00 2.063E+04 14 12 4.67125E+04 4.76691E-01 4.57183E-01 2.632E-06 6.071E-03 4.827E+00 14 13 6.20965E+04 4.76691E-01 4.62016E-01 3.867E-03 1.186E+01 4.013E+03 14 14 1.51097E+05 4.76691E-01 4.70660E-01 6.793E-04 5.069E+00 1.191E+02 14 15 3.48210E+05 4.76691E-01 4.74074E-01 1.861E+00 3.201E+04 6.143E+04 14 16 2.54332E+05 4.76691E-01 4.80274E-01 -9.536E-04 1.996E+01 1.639E+02 15 1 1.16682E+03 4.80761E-01 -3.00223E-01 3.175E-05 1.829E-03 9.332E+04 15 2 2.13948E+03 4.80761E-01 5.48327E-02 7.093E-03 7.494E-01 6.202E+06 15 3 2.65263E+03 4.80761E-01 1.37227E-01 9.447E-06 1.237E-03 5.373E+03 15 4 4.15863E+03 4.80761E-01 2.61634E-01 1.485E-02 3.049E+00 3.436E+06 15 5 4.98401E+03 4.80761E-01 2.97923E-01 6.277E-05 1.545E-02 1.011E+04 15 6 7.30662E+03 4.80761E-01 3.56043E-01 2.547E-02 9.189E+00 1.909E+06 15 7 8.62779E+03 4.80761E-01 3.75141E-01 1.811E-04 7.714E-02 9.734E+03 15 8 1.23443E+04 4.80761E-01 4.06940E-01 4.325E-02 2.637E+01 1.136E+06 15 9 1.45614E+04 4.80761E-01 4.18180E-01 4.484E-04 3.224E-01 8.463E+03 15 10 2.10449E+04 4.80761E-01 4.37460E-01 7.933E-02 8.245E+01 7.168E+05 15 11 2.52121E+04 4.80761E-01 4.44617E-01 1.176E-03 1.464E+00 7.404E+03 15 12 3.86491E+04 4.80761E-01 4.57183E-01 1.751E-01 3.341E+02 4.690E+05 15 13 4.86139E+04 4.80761E-01 4.62016E-01 4.056E-03 9.737E+00 6.868E+03 15 14 9.02156E+04 4.80761E-01 4.70660E-01 6.030E-01 2.686E+03 2.965E+05 15 15 1.36275E+05 4.80761E-01 4.74074E-01 3.545E-02 2.385E+02 7.639E+03 15 16 1.87119E+06 4.80761E-01 4.80274E-01 4.953E-01 4.577E+04 5.661E+02 5 1 1 5 2 0 :isi,li,ipi,isj,lj,ipj 8 8 64 : ni,nj,ntrs/i,j,wl(A),Ei(Ry),Ej(Ry),f,S,A(/s) 1 1 5.20364E+03 -1.16295E-01 5.88262E-02 -5.713E-01 1.468E+02 8.444E+07 1 2 2.42298E+03 -1.16295E-01 2.59799E-01 -1.689E-02 2.021E+00 1.151E+07 1 3 1.93501E+03 -1.16295E-01 3.54642E-01 -1.366E-02 1.305E+00 1.460E+07 1 4 1.74465E+03 -1.16295E-01 4.06025E-01 -8.387E-03 7.225E-01 1.103E+07 1 5 1.64743E+03 -1.16295E-01 4.36851E-01 -5.315E-03 4.324E-01 7.837E+06 1 6 1.59018E+03 -1.16295E-01 4.56763E-01 -3.545E-03 2.784E-01 5.611E+06 1 7 1.55333E+03 -1.16295E-01 4.70360E-01 -2.474E-03 1.898E-01 4.103E+06 1 8 1.52808E+03 -1.16295E-01 4.80052E-01 -1.793E-03 1.353E-01 3.072E+06 2 1 6.53473E+03 1.98276E-01 5.88262E-02 9.364E-02 5.036E+01 2.438E+07 2 2 1.48118E+04 1.98276E-01 2.59799E-01 -8.267E-01 6.047E+02 1.508E+07 2 3 5.82778E+03 1.98276E-01 3.54642E-01 -4.989E-03 1.436E+00 5.879E+05 2 4 4.38639E+03 1.98276E-01 4.06025E-01 -6.953E-03 1.506E+00 1.446E+06 2 5 3.81963E+03 1.98276E-01 4.36851E-01 -4.983E-03 9.398E-01 1.367E+06 2 6 3.52539E+03 1.98276E-01 4.56763E-01 -3.440E-03 5.989E-01 1.108E+06 2 7 3.34921E+03 1.98276E-01 4.70360E-01 -2.430E-03 4.019E-01 8.669E+05 2 8 3.23401E+03 1.98276E-01 4.80052E-01 -1.768E-03 2.824E-01 6.765E+05 3 1 3.41268E+03 3.25850E-01 5.88262E-02 8.528E-03 2.395E+00 8.140E+06 3 2 1.37964E+04 3.25850E-01 2.59799E-01 1.906E-01 2.164E+02 1.113E+07 3 3 3.16500E+04 3.25850E-01 3.54642E-01 -1.057E+00 1.652E+03 4.221E+06 3 4 1.13660E+04 3.25850E-01 4.06025E-01 -1.075E-03 6.032E-01 3.329E+04 3 5 8.20954E+03 3.25850E-01 4.36851E-01 -3.697E-03 1.499E+00 2.195E+05 3 6 6.96086E+03 3.25850E-01 4.56763E-01 -3.094E-03 1.064E+00 2.555E+05 3 7 6.30591E+03 3.25850E-01 4.70360E-01 -2.305E-03 7.179E-01 2.320E+05 3 8 5.90957E+03 3.25850E-01 4.80052E-01 -1.711E-03 4.992E-01 1.960E+05 4 1 2.74993E+03 3.90204E-01 5.88262E-02 2.710E-03 6.133E-01 3.984E+06 4 2 6.98798E+03 3.90204E-01 2.59799E-01 1.975E-02 1.136E+01 4.496E+06 4 3 2.56247E+04 3.90204E-01 3.54642E-01 2.885E-01 6.085E+02 4.885E+06 4 4 5.75986E+04 3.90204E-01 4.06025E-01 -1.274E+00 3.624E+03 1.537E+06 4 5 1.95354E+04 3.90204E-01 4.36851E-01 -3.077E-05 2.969E-02 3.227E+02 4 6 1.36911E+04 3.90204E-01 4.56763E-01 -1.977E-03 1.336E+00 4.220E+04 4 7 1.13687E+04 3.90204E-01 4.70360E-01 -1.981E-03 1.112E+00 6.133E+04 4 8 1.01423E+04 3.90204E-01 4.80052E-01 -1.594E-03 7.983E-01 6.201E+04 5 1 2.47364E+03 4.27217E-01 5.88262E-02 1.256E-03 2.556E-01 2.281E+06 5 2 5.44306E+03 4.27217E-01 2.59799E-01 6.520E-03 2.921E+00 2.446E+06 5 3 1.25562E+04 4.27217E-01 3.54642E-01 3.100E-02 3.203E+01 2.186E+06 5 4 4.30005E+04 4.27217E-01 4.06025E-01 3.874E-01 1.371E+03 2.329E+06 5 5 9.45888E+04 4.27217E-01 4.36851E-01 -1.485E+00 6.938E+03 6.644E+05 5 6 3.08423E+04 4.27217E-01 4.56763E-01 -2.465E-04 3.755E-01 1.037E+03 5 7 2.11220E+04 4.27217E-01 4.70360E-01 -1.012E-03 1.056E+00 9.078E+03 5 8 1.72474E+04 4.27217E-01 4.80052E-01 -1.281E-03 1.091E+00 1.724E+04 6 1 2.32684E+03 4.50459E-01 5.88262E-02 7.000E-04 1.341E-01 1.437E+06 6 2 4.77954E+03 4.50459E-01 2.59799E-01 3.092E-03 1.216E+00 1.505E+06 6 3 9.51050E+03 4.50459E-01 3.54642E-01 1.037E-02 8.115E+00 1.274E+06 6 4 2.05083E+04 4.50459E-01 4.06025E-01 4.216E-02 7.116E+01 1.114E+06 6 5 6.69655E+04 4.50459E-01 4.36851E-01 4.868E-01 2.683E+03 1.207E+06 6 6 1.44554E+05 4.50459E-01 4.56763E-01 -1.693E+00 1.208E+04 3.242E+05 6 7 4.57900E+04 4.50459E-01 4.70360E-01 -1.100E-03 2.487E+00 2.100E+03 6 8 3.07933E+04 4.50459E-01 4.80052E-01 -4.653E-04 7.075E-01 1.964E+03 7 1 2.23799E+03 4.66008E-01 5.88262E-02 4.356E-04 8.023E-02 9.668E+05 7 2 4.41914E+03 4.66008E-01 2.59799E-01 1.754E-03 6.378E-01 9.982E+05 7 3 8.18263E+03 4.66008E-01 3.54642E-01 4.964E-03 3.343E+00 8.242E+05 7 4 1.51921E+04 4.66008E-01 4.06025E-01 1.418E-02 1.774E+01 6.832E+05 7 5 3.12538E+04 4.66008E-01 4.36851E-01 5.324E-02 1.369E+02 6.059E+05 7 6 9.85686E+04 4.66008E-01 4.56763E-01 5.868E-01 4.760E+03 6.714E+05 7 7 2.09390E+05 4.66008E-01 4.70360E-01 -1.898E+00 1.963E+04 1.732E+05 7 8 6.48866E+04 4.66008E-01 4.80052E-01 -2.310E-03 7.402E+00 2.196E+03 8 1 2.17957E+03 4.76922E-01 5.88262E-02 2.917E-04 5.233E-02 6.826E+05 8 2 4.19701E+03 4.76922E-01 2.59799E-01 1.107E-03 3.825E-01 6.987E+05 8 3 7.45230E+03 4.76922E-01 3.54642E-01 2.840E-03 1.742E+00 5.685E+05 8 4 1.28534E+04 4.76922E-01 4.06025E-01 6.824E-03 7.219E+00 4.592E+05 8 5 2.27413E+04 4.76922E-01 4.36851E-01 1.794E-02 3.359E+01 3.857E+05 8 6 4.52040E+04 4.76922E-01 4.56763E-01 6.420E-02 2.389E+02 3.493E+05 8 7 1.38870E+05 4.76922E-01 4.70360E-01 6.872E-01 7.854E+03 3.961E+05 8 8 2.91141E+05 4.76922E-01 4.80052E-01 -2.101E+00 3.021E+04 9.921E+04 5 2 1 5 2 0 :isi,li,ipi,isj,lj,ipj 15 8 120 : ni,nj,ntrs/i,j,wl(A),Ei(Ry),Ej(Ry),f,S,A(/s) 1 1 4.70100E+03 -1.35019E-01 5.88262E-02 -1.200E-01 4.641E+01 3.621E+07 1 2 2.30807E+03 -1.35019E-01 2.59799E-01 -1.628E-03 3.092E-01 2.038E+06 1 3 1.86102E+03 -1.35019E-01 3.54642E-01 -1.842E-03 2.821E-01 3.547E+06 1 4 1.68428E+03 -1.35019E-01 4.06025E-01 -1.226E-03 1.699E-01 2.882E+06 1 5 1.59349E+03 -1.35019E-01 4.36851E-01 -8.056E-04 1.057E-01 2.116E+06 1 6 1.53987E+03 -1.35019E-01 4.56763E-01 -5.484E-04 6.950E-02 1.543E+06 1 7 1.50528E+03 -1.35019E-01 4.70360E-01 -3.875E-04 4.800E-02 1.141E+06 1 8 1.48156E+03 -1.35019E-01 4.80052E-01 -2.832E-04 3.453E-02 8.604E+05 2 1 6.77599E+03 1.93311E-01 5.88262E-02 3.554E-02 1.982E+01 5.163E+06 2 2 1.37057E+04 1.93311E-01 2.59799E-01 -1.750E-01 1.974E+02 6.212E+06 2 3 5.64843E+03 1.93311E-01 3.54642E-01 -1.976E-04 9.184E-02 4.130E+04 2 4 4.28400E+03 1.93311E-01 4.06025E-01 -7.448E-04 2.626E-01 2.707E+05 2 5 3.74176E+03 1.93311E-01 4.36851E-01 -6.164E-04 1.898E-01 2.936E+05 2 6 3.45895E+03 1.93311E-01 4.56763E-01 -4.512E-04 1.284E-01 2.515E+05 2 7 3.28919E+03 1.93311E-01 4.70360E-01 -3.289E-04 8.903E-02 2.028E+05 2 8 3.17801E+03 1.93311E-01 4.80052E-01 -2.440E-04 6.382E-02 1.611E+05 3 1 4.32473E+03 2.69537E-01 5.88262E-02 9.964E-02 3.547E+01 3.553E+07 3 2 9.35785E+04 2.69537E-01 2.59799E-01 1.288E-02 9.917E+01 9.807E+03 3 3 1.07076E+04 2.69537E-01 3.54642E-01 -2.422E-03 2.135E+00 1.409E+05 3 4 6.67654E+03 2.69537E-01 4.06025E-01 -3.974E-04 2.184E-01 5.947E+04 3 5 5.44645E+03 2.69537E-01 4.36851E-01 -1.397E-04 6.261E-02 3.141E+04 3 6 4.86720E+03 2.69537E-01 4.56763E-01 -6.704E-05 2.686E-02 1.888E+04 3 7 4.53766E+03 2.69537E-01 4.70360E-01 -3.809E-05 1.422E-02 1.234E+04 3 8 4.32875E+03 2.69537E-01 4.80052E-01 -2.402E-05 8.559E-03 8.551E+03 4 1 3.44143E+03 3.23619E-01 5.88262E-02 2.575E-03 7.293E-01 1.450E+06 4 2 1.42787E+04 3.23619E-01 2.59799E-01 7.324E-02 8.607E+01 2.396E+06 4 3 2.93739E+04 3.23619E-01 3.54642E-01 -2.247E-01 5.433E+02 1.737E+06 4 4 1.10583E+04 3.23619E-01 4.06025E-01 -1.443E-05 1.313E-02 7.872E+02 4 5 8.04779E+03 3.23619E-01 4.36851E-01 -2.740E-04 1.815E-01 2.821E+04 4 6 6.84422E+03 3.23619E-01 4.56763E-01 -3.104E-04 1.748E-01 4.420E+04 4 7 6.21004E+03 3.23619E-01 4.70360E-01 -2.577E-04 1.317E-01 4.457E+04 4 8 5.82529E+03 3.23619E-01 4.80052E-01 -2.020E-04 9.683E-02 3.970E+04 5 1 3.02579E+03 3.59993E-01 5.88262E-02 1.738E-02 4.327E+00 1.266E+07 5 2 9.09503E+03 3.59993E-01 2.59799E-01 7.648E-02 5.725E+01 6.167E+06 5 3 1.70298E+05 3.59993E-01 3.54642E-01 2.530E-02 3.547E+02 5.819E+03 5 4 1.97964E+04 3.59993E-01 4.06025E-01 -6.712E-03 1.094E+01 1.142E+05 5 5 1.18565E+04 3.59993E-01 4.36851E-01 -1.152E-03 1.124E+00 5.466E+04 5 6 9.41684E+03 3.59993E-01 4.56763E-01 -4.136E-04 3.206E-01 3.111E+04 5 7 8.25670E+03 3.59993E-01 4.70360E-01 -2.011E-04 1.366E-01 1.967E+04 5 8 7.59016E+03 3.59993E-01 4.80052E-01 -1.152E-04 7.199E-02 1.334E+04 6 1 2.75998E+03 3.88998E-01 5.88262E-02 7.668E-04 1.742E-01 6.714E+05 6 2 7.05321E+03 3.88998E-01 2.59799E-01 6.644E-03 3.857E+00 8.908E+05 6 3 2.65242E+04 3.88998E-01 3.54642E-01 1.104E-01 2.410E+02 1.047E+06 6 4 5.35190E+04 3.88998E-01 4.06025E-01 -2.718E-01 1.197E+03 6.330E+05 6 5 1.90431E+04 3.88998E-01 4.36851E-01 -2.893E-04 4.535E-01 5.321E+03 6 6 1.34475E+04 3.88998E-01 4.56763E-01 -7.392E-05 8.181E-02 2.726E+03 6 7 1.12002E+04 3.88998E-01 4.70360E-01 -1.480E-04 1.364E-01 7.867E+03 6 8 1.00080E+04 3.88998E-01 4.80052E-01 -1.450E-04 1.194E-01 9.656E+03 7 1 2.60076E+03 4.09211E-01 5.88262E-02 6.216E-03 1.331E+00 6.130E+06 7 2 6.09902E+03 4.09211E-01 2.59799E-01 1.929E-02 9.682E+00 3.458E+06 7 3 1.66994E+04 4.09211E-01 3.54642E-01 6.512E-02 8.950E+01 1.558E+06 7 4 2.86021E+05 4.09211E-01 4.06025E-01 3.644E-02 8.577E+02 2.971E+03 7 5 3.29692E+04 4.09211E-01 4.36851E-01 -1.202E-02 3.260E+01 7.373E+04 7 6 1.91636E+04 4.09211E-01 4.56763E-01 -2.127E-03 3.354E+00 3.863E+04 7 7 1.49024E+04 4.09211E-01 4.70360E-01 -7.764E-04 9.523E-01 2.332E+04 7 8 1.28636E+04 4.09211E-01 4.80052E-01 -3.812E-04 4.036E-01 1.537E+04 8 1 2.47853E+03 4.26490E-01 5.88262E-02 3.438E-04 7.012E-02 3.732E+05 8 2 5.46680E+03 4.26490E-01 2.59799E-01 2.110E-03 9.492E-01 4.708E+05 8 3 1.26833E+04 4.26490E-01 3.54642E-01 1.066E-02 1.112E+01 4.418E+05 8 4 4.45280E+04 4.26490E-01 4.06025E-01 1.476E-01 5.408E+02 4.964E+05 8 5 8.79518E+04 4.26490E-01 4.36851E-01 -3.176E-01 2.299E+03 2.738E+05 8 6 3.01017E+04 4.26490E-01 4.56763E-01 -7.560E-04 1.873E+00 5.565E+03 8 7 2.07720E+04 4.26490E-01 4.70360E-01 -5.504E-06 9.410E-03 8.508E+01 8 8 1.70133E+04 4.26490E-01 4.80052E-01 -6.136E-05 8.592E-02 1.414E+03 9 1 2.39770E+03 4.38885E-01 5.88262E-02 3.002E-03 5.923E-01 3.482E+06 9 2 5.08843E+03 4.38885E-01 2.59799E-01 8.052E-03 3.372E+00 2.074E+06 9 3 1.08171E+04 4.38885E-01 3.54642E-01 1.856E-02 1.652E+01 1.058E+06 9 4 2.77318E+04 4.38885E-01 4.06025E-01 5.940E-02 1.356E+02 5.152E+05 9 5 4.48015E+05 4.38885E-01 4.36851E-01 4.668E-02 1.721E+03 1.551E+03 9 6 5.09714E+04 4.38885E-01 4.56763E-01 -1.795E-02 7.529E+01 4.608E+04 9 7 2.89521E+04 4.38885E-01 4.70360E-01 -3.245E-03 7.732E+00 2.582E+04 9 8 2.21359E+04 4.38885E-01 4.80052E-01 -1.199E-03 2.184E+00 1.632E+04 10 1 2.32965E+03 4.49987E-01 5.88262E-02 1.878E-04 3.600E-02 2.307E+05 10 2 4.79140E+03 4.49987E-01 2.59799E-01 9.808E-04 3.868E-01 2.850E+05 10 3 9.55758E+03 4.49987E-01 3.54642E-01 3.460E-03 2.722E+00 2.527E+05 10 4 2.07285E+04 4.49987E-01 4.06025E-01 1.457E-02 2.486E+01 2.262E+05 10 5 6.93717E+04 4.49987E-01 4.36851E-01 1.847E-01 1.055E+03 2.560E+05 10 6 1.34484E+05 4.49987E-01 4.56763E-01 -3.625E-01 4.012E+03 1.337E+05 10 7 4.47291E+04 4.49987E-01 4.70360E-01 -1.313E-03 4.833E+00 4.377E+03 10 8 3.03099E+04 4.49987E-01 4.80052E-01 -7.764E-06 1.937E-02 5.637E+01 11 1 2.28211E+03 4.58136E-01 5.88262E-02 1.706E-03 3.204E-01 2.184E+06 11 2 4.59454E+03 4.58136E-01 2.59799E-01 4.240E-03 1.603E+00 1.340E+06 11 3 8.80502E+03 4.58136E-01 3.54642E-01 8.260E-03 5.986E+00 7.106E+05 11 4 1.74870E+04 4.58136E-01 4.06025E-01 1.786E-02 2.570E+01 3.896E+05 11 5 4.28126E+04 4.58136E-01 4.36851E-01 5.644E-02 1.989E+02 2.054E+05 11 6 6.63708E+05 4.58136E-01 4.56763E-01 5.640E-02 3.081E+03 8.540E+02 11 7 7.45473E+04 4.58136E-01 4.70360E-01 -2.429E-02 1.490E+02 2.916E+04 11 8 4.15800E+04 4.58136E-01 4.80052E-01 -4.460E-03 1.526E+01 1.721E+04 12 1 2.23976E+03 4.65685E-01 5.88262E-02 1.153E-04 2.125E-02 1.533E+05 12 2 4.42608E+03 4.65685E-01 2.59799E-01 5.496E-04 2.002E-01 1.871E+05 12 3 8.20643E+03 4.65685E-01 3.54642E-01 1.633E-03 1.103E+00 1.617E+05 12 4 1.52743E+04 4.65685E-01 4.06025E-01 4.776E-03 6.004E+00 1.365E+05 12 5 3.16039E+04 4.65685E-01 4.36851E-01 1.842E-02 4.790E+01 1.230E+05 12 6 1.02137E+05 4.65685E-01 4.56763E-01 2.219E-01 1.865E+03 1.419E+05 12 7 1.94923E+05 4.65685E-01 4.70360E-01 -4.068E-01 6.526E+03 7.141E+04 12 8 6.34279E+04 4.65685E-01 4.80052E-01 -1.916E-03 1.000E+01 3.177E+03 13 1 2.20912E+03 4.71329E-01 5.88262E-02 1.073E-03 1.951E-01 1.467E+06 13 2 4.30798E+03 4.71329E-01 2.59799E-01 2.549E-03 9.037E-01 9.160E+05 13 3 7.80950E+03 4.71329E-01 3.54642E-01 4.528E-03 2.910E+00 4.952E+05 13 4 1.39542E+04 4.71329E-01 4.06025E-01 8.212E-03 9.431E+00 2.813E+05 13 5 2.64304E+04 4.71329E-01 4.36851E-01 1.742E-02 3.789E+01 1.663E+05 13 6 6.25612E+04 4.71329E-01 4.56763E-01 5.500E-02 2.832E+02 9.373E+04 13 7 9.40427E+05 4.71329E-01 4.70360E-01 6.568E-02 5.084E+03 4.953E+02 13 8 1.04467E+05 4.71329E-01 4.80052E-01 -3.093E-02 2.659E+02 1.890E+04 14 1 2.18077E+03 4.76691E-01 5.88262E-02 7.648E-05 1.373E-02 1.073E+05 14 2 4.20148E+03 4.76691E-01 2.59799E-01 3.441E-04 1.190E-01 1.300E+05 14 3 7.46640E+03 4.76691E-01 3.54642E-01 9.256E-04 5.688E-01 1.107E+05 14 4 1.28954E+04 4.76691E-01 4.06025E-01 2.270E-03 2.410E+00 9.106E+04 14 5 2.28732E+04 4.76691E-01 4.36851E-01 6.060E-03 1.141E+01 7.726E+04 14 6 4.57280E+04 4.76691E-01 4.56763E-01 2.220E-02 8.354E+01 7.080E+04 14 7 1.43937E+05 4.76691E-01 4.70360E-01 2.590E-01 3.069E+03 8.339E+04 14 8 2.71131E+05 4.76691E-01 4.80052E-01 -4.508E-01 1.006E+04 4.090E+04 15 1 2.15973E+03 4.80761E-01 5.88262E-02 7.244E-04 1.288E-01 1.036E+06 15 2 4.12409E+03 4.80761E-01 2.59799E-01 1.670E-03 5.667E-01 6.547E+05 15 3 7.22546E+03 4.80761E-01 3.54642E-01 2.800E-03 1.665E+00 3.577E+05 15 4 1.21931E+04 4.80761E-01 4.06025E-01 4.604E-03 4.620E+00 2.065E+05 15 5 2.07531E+04 4.80761E-01 4.36851E-01 8.152E-03 1.392E+01 1.262E+05 15 6 3.79726E+04 4.80761E-01 4.56763E-01 1.718E-02 5.370E+01 7.949E+04 15 7 8.76136E+04 4.80761E-01 4.70360E-01 5.444E-02 3.926E+02 4.730E+04 15 8 1.28529E+06 4.80761E-01 4.80052E-01 7.476E-02 7.908E+03 3.018E+02 5 3 1 5 2 0 :isi,li,ipi,isj,lj,ipj 6 8 48 : ni,nj,ntrs/i,j,wl(A),Ei(Ry),Ej(Ry),f,S,A(/s) 1 1 4.27747E+03 2.71865E-01 5.88262E-02 7.912E-01 2.785E+02 2.060E+08 1 2 7.55235E+04 2.71865E-01 2.59799E-01 1.450E-01 9.013E+02 1.211E+05 1 3 1.10087E+04 2.71865E-01 3.54642E-01 -2.404E-02 3.049E+01 1.852E+06 1 4 6.79239E+03 2.71865E-01 4.06025E-01 -3.980E-03 3.115E+00 8.055E+05 1 5 5.52330E+03 2.71865E-01 4.36851E-01 -1.416E-03 9.012E-01 4.334E+05 1 6 4.92849E+03 2.71865E-01 4.56763E-01 -6.854E-04 3.892E-01 2.635E+05 1 7 4.59088E+03 2.71865E-01 4.70360E-01 -3.914E-04 2.071E-01 1.734E+05 1 8 4.37716E+03 2.71865E-01 4.80052E-01 -2.478E-04 1.250E-01 1.208E+05 2 1 3.01100E+03 3.61472E-01 5.88262E-02 1.505E-01 3.729E+01 7.908E+07 2 2 8.96272E+03 3.61472E-01 2.59799E-01 5.680E-01 4.190E+02 3.369E+07 2 3 1.33421E+05 3.61472E-01 3.54642E-01 2.879E-01 3.161E+03 7.705E+04 2 4 2.04536E+04 3.61472E-01 4.06025E-01 -5.994E-02 1.413E+02 1.338E+06 2 5 1.20891E+04 3.61472E-01 4.36851E-01 -1.020E-02 1.420E+01 6.515E+05 2 6 9.56299E+03 3.61472E-01 4.56763E-01 -3.683E-03 4.058E+00 3.760E+05 2 7 8.36885E+03 3.61472E-01 4.70360E-01 -1.801E-03 1.737E+00 2.401E+05 2 8 7.68483E+03 3.61472E-01 4.80052E-01 -1.037E-03 9.181E-01 1.639E+05 3 1 2.59397E+03 4.10128E-01 5.88262E-02 5.676E-02 1.212E+01 4.019E+07 3 2 6.06182E+03 4.10128E-01 2.59799E-01 1.522E-01 7.591E+01 1.973E+07 3 3 1.64234E+04 4.10128E-01 3.54642E-01 4.660E-01 6.299E+02 8.231E+06 3 4 2.22097E+05 4.10128E-01 4.06025E-01 4.144E-01 7.575E+03 4.002E+04 3 5 3.41005E+04 4.10128E-01 4.36851E-01 -1.021E-01 4.011E+02 8.198E+05 3 6 1.95404E+04 4.10128E-01 4.56763E-01 -1.773E-02 3.993E+01 4.337E+05 3 7 1.51293E+04 4.10128E-01 4.70360E-01 -6.486E-03 1.131E+01 2.646E+05 3 8 1.30323E+04 4.10128E-01 4.80052E-01 -3.197E-03 4.801E+00 1.758E+05 4 1 2.39394E+03 4.39482E-01 5.88262E-02 2.837E-02 5.590E+00 2.359E+07 4 2 5.07153E+03 4.39482E-01 2.59799E-01 6.536E-02 2.728E+01 1.211E+07 4 3 1.07410E+04 4.39482E-01 3.54642E-01 1.409E-01 1.246E+02 5.819E+06 4 4 2.72370E+04 4.39482E-01 4.06025E-01 4.148E-01 9.298E+02 2.664E+06 4 5 3.46357E+05 4.39482E-01 4.36851E-01 5.300E-01 1.511E+04 2.105E+04 4 6 5.27323E+04 4.39482E-01 4.56763E-01 -1.479E-01 8.986E+02 4.966E+05 4 7 2.95118E+04 4.39482E-01 4.70360E-01 -2.609E-02 8.873E+01 2.798E+05 4 8 2.24616E+04 4.39482E-01 4.80052E-01 -9.634E-03 2.493E+01 1.783E+05 5 1 2.27978E+03 4.58543E-01 5.88262E-02 1.650E-02 3.097E+00 1.513E+07 5 2 4.58513E+03 4.58543E-01 2.59799E-01 3.501E-02 1.321E+01 7.934E+06 5 3 8.77053E+03 4.58543E-01 3.54642E-01 6.436E-02 4.646E+01 3.986E+06 5 4 1.73515E+04 4.58543E-01 4.06025E-01 1.325E-01 1.892E+02 2.096E+06 5 5 4.20093E+04 4.58543E-01 4.36851E-01 3.870E-01 1.338E+03 1.045E+06 5 6 5.11947E+05 4.58543E-01 4.56763E-01 6.392E-01 2.693E+04 1.162E+04 5 7 7.71149E+04 4.58543E-01 4.70360E-01 -1.961E-01 1.742E+03 3.079E+05 5 8 4.23668E+04 4.58543E-01 4.80052E-01 -3.500E-02 1.709E+02 1.821E+05 6 1 2.20757E+03 4.71618E-01 5.88262E-02 1.056E-02 1.919E+00 1.032E+07 6 2 4.30210E+03 4.71618E-01 2.59799E-01 2.129E-02 7.539E+00 5.481E+06 6 3 7.79021E+03 4.71618E-01 3.54642E-01 3.580E-02 2.296E+01 2.811E+06 6 4 1.38927E+04 4.71618E-01 4.06025E-01 6.248E-02 7.144E+01 1.542E+06 6 5 2.62107E+04 4.71618E-01 4.36851E-01 1.271E-01 2.741E+02 8.813E+05 6 6 6.13441E+04 4.71618E-01 4.56763E-01 3.720E-01 1.878E+03 4.709E+05 6 7 7.24386E+05 4.71618E-01 4.70360E-01 7.436E-01 4.433E+04 6.751E+03 6 8 1.08047E+05 4.71618E-01 4.80052E-01 -2.459E-01 3.062E+03 1.967E+05 5 2 1 5 3 0 :isi,li,ipi,isj,lj,ipj 15 14 210 : ni,nj,ntrs/i,j,wl(A),Ei(Ry),Ej(Ry),f,S,A(/s) 1 1 5.17311E+03 -1.35019E-01 4.11356E-02 -5.948E-01 2.532E+02 1.059E+08 1 2 2.34334E+03 -1.35019E-01 2.53856E-01 -2.912E-02 5.617E+00 2.527E+07 1 3 1.87178E+03 -1.35019E-01 3.51825E-01 -1.976E-02 3.043E+00 2.686E+07 1 4 1.83775E+03 -1.35019E-01 3.60842E-01 -4.468E-05 6.758E-03 6.303E+04 1 5 1.68917E+03 -1.35019E-01 4.04456E-01 -1.159E-02 1.612E+00 1.936E+07 1 6 1.67281E+03 -1.35019E-01 4.09732E-01 -3.267E-05 4.498E-03 5.562E+04 1 7 1.59618E+03 -1.35019E-01 4.35885E-01 -7.196E-03 9.453E-01 1.346E+07 1 8 1.58691E+03 -1.35019E-01 4.39222E-01 -2.182E-05 2.850E-03 4.129E+04 1 9 1.54153E+03 -1.35019E-01 4.56126E-01 -4.744E-03 6.019E-01 9.511E+06 1 10 1.53571E+03 -1.35019E-01 4.58366E-01 -1.488E-05 1.880E-03 3.005E+04 1 11 1.50639E+03 -1.35019E-01 4.69917E-01 -3.286E-03 4.074E-01 6.899E+06 1 12 1.50248E+03 -1.35019E-01 4.71491E-01 -1.049E-05 1.297E-03 2.214E+04 1 13 1.48234E+03 -1.35019E-01 4.79732E-01 -2.368E-03 2.889E-01 5.135E+06 1 14 1.47957E+03 -1.35019E-01 4.80880E-01 -7.648E-06 9.313E-04 1.664E+04 2 1 5.98827E+03 1.93311E-01 4.11356E-02 1.143E-01 7.890E+01 2.977E+07 2 2 1.50511E+04 1.93311E-01 2.53856E-01 -8.872E-01 1.099E+03 1.866E+07 2 3 5.74881E+03 1.93311E-01 3.51825E-01 -1.023E-02 4.839E+00 1.474E+06 2 4 5.43939E+03 1.93311E-01 3.60842E-01 -2.431E-04 1.088E-01 3.915E+04 2 5 4.31584E+03 1.93311E-01 4.04456E-01 -1.046E-02 3.715E+00 2.675E+06 2 6 4.21062E+03 1.93311E-01 4.09732E-01 -1.065E-04 3.690E-02 2.861E+04 2 7 3.75666E+03 1.93311E-01 4.35885E-01 -7.028E-03 2.173E+00 2.373E+06 2 8 3.70568E+03 1.93311E-01 4.39222E-01 -5.636E-05 1.719E-02 1.955E+04 2 9 3.46733E+03 1.93311E-01 4.56126E-01 -4.716E-03 1.346E+00 1.869E+06 2 10 3.43803E+03 1.93311E-01 4.58366E-01 -3.373E-05 9.545E-03 1.360E+04 2 11 3.29446E+03 1.93311E-01 4.69917E-01 -3.279E-03 8.891E-01 1.439E+06 2 12 3.27582E+03 1.93311E-01 4.71491E-01 -2.195E-05 5.917E-03 9.744E+03 2 13 3.18157E+03 1.93311E-01 4.79732E-01 -2.363E-03 6.187E-01 1.112E+06 2 14 3.16886E+03 1.93311E-01 4.80880E-01 -1.515E-05 3.952E-03 7.189E+03 3 1 3.98976E+03 2.69537E-01 4.11356E-02 1.987E-03 9.135E-01 1.166E+06 3 2 5.81128E+04 2.69537E-01 2.53856E-01 1.041E-03 6.968E+00 2.877E+03 3 3 1.10741E+04 2.69537E-01 3.51825E-01 -2.156E-03 1.965E+00 8.377E+04 3 4 9.98047E+03 2.69537E-01 3.60842E-01 -1.326E+00 1.089E+03 6.342E+07 3 5 6.75418E+03 2.69537E-01 4.04456E-01 -2.815E-04 1.565E-01 2.940E+04 3 6 6.50000E+03 2.69537E-01 4.09732E-01 -1.865E-01 9.976E+01 2.103E+07 3 7 5.47808E+03 2.69537E-01 4.35885E-01 -9.040E-05 4.076E-02 1.435E+04 3 8 5.37035E+03 2.69537E-01 4.39222E-01 -6.068E-02 2.682E+01 1.002E+07 3 9 4.88382E+03 2.69537E-01 4.56126E-01 -4.160E-05 1.672E-02 8.309E+03 3 10 4.82589E+03 2.69537E-01 4.58366E-01 -2.784E-02 1.106E+01 5.695E+06 3 11 4.54769E+03 2.69537E-01 4.69917E-01 -2.310E-05 8.648E-03 5.322E+03 3 12 4.51225E+03 2.69537E-01 4.71491E-01 -1.536E-02 5.706E+00 3.595E+06 3 13 4.33534E+03 2.69537E-01 4.79732E-01 -1.439E-05 5.135E-03 3.648E+03 3 14 4.31179E+03 2.69537E-01 4.80880E-01 -9.500E-03 3.371E+00 2.434E+06 4 1 3.22591E+03 3.23619E-01 4.11356E-02 1.184E-02 4.400E+00 1.062E+07 4 2 1.30623E+04 3.23619E-01 2.53856E-01 2.363E-01 3.556E+02 1.293E+07 4 3 3.23076E+04 3.23619E-01 3.51825E-01 -1.140E+00 3.032E+03 5.205E+06 4 4 2.44813E+04 3.23619E-01 3.60842E-01 -1.569E-03 3.161E+00 1.247E+04 4 5 1.12729E+04 3.23619E-01 4.04456E-01 -3.631E-03 3.369E+00 1.361E+05 4 6 1.05822E+04 3.23619E-01 4.09732E-01 -3.034E-05 2.642E-02 1.291E+03 4 7 8.11704E+03 3.23619E-01 4.35885E-01 -6.144E-03 4.105E+00 4.443E+05 4 8 7.88273E+03 3.23619E-01 4.39222E-01 -3.353E-05 2.175E-02 2.571E+03 4 9 6.87712E+03 3.23619E-01 4.56126E-01 -4.648E-03 2.631E+00 4.682E+05 4 10 6.76280E+03 3.23619E-01 4.58366E-01 -2.327E-05 1.295E-02 2.424E+03 4 11 6.22884E+03 3.23619E-01 4.69917E-01 -3.322E-03 1.703E+00 4.079E+05 4 12 6.16254E+03 3.23619E-01 4.71491E-01 -1.595E-05 8.089E-03 2.001E+03 4 13 5.83723E+03 3.23619E-01 4.79732E-01 -2.409E-03 1.157E+00 3.369E+05 4 14 5.79462E+03 3.23619E-01 4.80880E-01 -1.127E-05 5.374E-03 1.599E+03 5 1 2.85791E+03 3.59993E-01 4.11356E-02 3.146E-04 1.036E-01 3.596E+05 5 2 8.58576E+03 3.59993E-01 2.53856E-01 1.411E-03 1.396E+00 1.787E+05 5 3 1.11565E+05 3.59993E-01 3.51825E-01 2.193E-03 2.819E+01 1.645E+03 5 4 1.07337E+06 3.59993E-01 3.60842E-01 -2.060E-02 1.820E+03 8.518E+01 5 5 2.04950E+04 3.59993E-01 4.04456E-01 -2.963E-03 4.998E+00 3.360E+04 5 6 1.83210E+04 3.59993E-01 4.09732E-01 -1.146E+00 1.727E+03 1.626E+07 5 7 1.20074E+04 3.59993E-01 4.35885E-01 -4.572E-04 4.518E-01 1.511E+04 5 8 1.15017E+04 3.59993E-01 4.39222E-01 -2.298E-01 2.175E+02 8.274E+06 5 9 9.47923E+03 3.59993E-01 4.56126E-01 -1.579E-04 1.232E-01 8.373E+03 5 10 9.26339E+03 3.59993E-01 4.58366E-01 -8.628E-02 6.578E+01 4.790E+06 5 11 8.28997E+03 3.59993E-01 4.69917E-01 -7.528E-05 5.136E-02 5.219E+03 5 12 8.17295E+03 3.59993E-01 4.71491E-01 -4.276E-02 2.876E+01 3.050E+06 5 13 7.61045E+03 3.59993E-01 4.79732E-01 -4.264E-05 2.671E-02 3.507E+03 5 14 7.53817E+03 3.59993E-01 4.80880E-01 -2.474E-02 1.535E+01 2.074E+06 6 1 2.61962E+03 3.88998E-01 4.11356E-02 3.914E-03 1.182E+00 5.326E+06 6 2 6.74303E+03 3.88998E-01 2.53856E-01 2.596E-02 2.017E+01 5.332E+06 6 3 2.45142E+04 3.88998E-01 3.51825E-01 3.614E-01 1.021E+03 5.616E+06 6 4 3.23649E+04 3.88998E-01 3.60842E-01 3.020E-04 1.126E+00 2.692E+03 6 5 5.89512E+04 3.88998E-01 4.04456E-01 -1.380E+00 6.694E+03 1.891E+06 6 6 4.39504E+04 3.88998E-01 4.09732E-01 -2.112E-03 7.641E+00 5.210E+03 6 7 1.94354E+04 3.88998E-01 4.35885E-01 -9.948E-04 1.591E+00 1.255E+04 6 8 1.81441E+04 3.88998E-01 4.39222E-01 -8.376E-07 1.251E-03 1.212E+01 6 9 1.35751E+04 3.88998E-01 4.56126E-01 -3.767E-03 4.209E+00 9.739E+04 6 10 1.31367E+04 3.88998E-01 4.58366E-01 -1.016E-05 1.098E-02 2.805E+02 6 11 1.12615E+04 3.88998E-01 4.69917E-01 -3.216E-03 2.981E+00 1.208E+05 6 12 1.10466E+04 3.88998E-01 4.71491E-01 -9.796E-06 8.906E-03 3.825E+02 6 13 1.00433E+04 3.88998E-01 4.79732E-01 -2.436E-03 2.014E+00 1.151E+05 6 14 9.91780E+03 3.88998E-01 4.80880E-01 -7.776E-06 6.347E-03 3.766E+02 7 1 2.47576E+03 4.09211E-01 4.11356E-02 9.580E-05 2.733E-02 1.459E+05 7 2 5.86571E+03 4.09211E-01 2.53856E-01 3.811E-04 2.576E-01 1.034E+05 7 3 1.58796E+04 4.09211E-01 3.51825E-01 1.241E-03 2.270E+00 4.594E+04 7 4 1.88399E+04 4.09211E-01 3.60842E-01 8.174E-03 1.774E+01 2.150E+05 7 5 1.91643E+05 4.09211E-01 4.04456E-01 3.074E-03 6.789E+01 7.816E+02 7 6 1.74906E+06 4.09211E-01 4.09732E-01 -4.024E-02 5.793E+03 6.267E+01 7 7 3.41631E+04 4.09211E-01 4.35885E-01 -3.622E-03 1.018E+01 1.478E+04 7 8 3.03644E+04 4.09211E-01 4.39222E-01 -1.058E+00 2.643E+03 5.465E+06 7 9 1.94238E+04 4.09211E-01 4.56126E-01 -6.048E-04 9.669E-01 7.637E+03 7 10 1.85386E+04 4.09211E-01 4.58366E-01 -2.430E-01 3.708E+02 3.369E+06 7 11 1.50112E+04 4.09211E-01 4.69917E-01 -2.176E-04 2.688E-01 4.601E+03 7 12 1.46318E+04 4.09211E-01 4.71491E-01 -9.796E-02 1.180E+02 2.180E+06 7 13 1.29219E+04 4.09211E-01 4.79732E-01 -1.062E-04 1.130E-01 3.031E+03 7 14 1.27149E+04 4.09211E-01 4.80880E-01 -5.068E-02 5.304E+01 1.493E+06 8 1 2.36475E+03 4.26490E-01 4.11356E-02 1.851E-03 5.043E-01 3.091E+06 8 2 5.27861E+03 4.26490E-01 2.53856E-01 8.711E-03 5.298E+00 2.919E+06 8 3 1.22047E+04 4.26490E-01 3.51825E-01 4.069E-02 5.722E+01 2.551E+06 8 4 1.38811E+04 4.26490E-01 3.60842E-01 2.030E-05 3.247E-02 9.838E+02 8 5 4.13573E+04 4.26490E-01 4.04456E-01 4.886E-01 2.328E+03 2.667E+06 8 6 5.43781E+04 4.26490E-01 4.09732E-01 5.134E-04 3.217E+00 1.621E+03 8 7 9.69949E+04 4.26490E-01 4.35885E-01 -1.612E+00 1.287E+04 8.165E+05 8 8 7.15730E+04 4.26490E-01 4.39222E-01 -2.465E-03 1.452E+01 2.292E+03 8 9 3.07487E+04 4.26490E-01 4.56126E-01 -9.060E-05 2.293E-01 4.565E+02 8 10 2.85879E+04 4.26490E-01 4.58366E-01 -3.588E-06 8.441E-03 2.091E+01 8 11 2.09839E+04 4.26490E-01 4.69917E-01 -2.342E-03 4.045E+00 2.534E+04 8 12 2.02499E+04 4.26490E-01 4.71491E-01 -2.056E-06 3.427E-03 2.389E+01 8 13 1.71156E+04 4.26490E-01 4.79732E-01 -2.288E-03 3.224E+00 3.722E+04 8 14 1.67543E+04 4.26490E-01 4.80880E-01 -3.697E-06 5.098E-03 6.275E+01 9 1 2.29106E+03 4.38885E-01 4.11356E-02 4.003E-05 1.057E-02 7.121E+04 9 2 4.92500E+03 4.38885E-01 2.53856E-01 1.611E-04 9.143E-02 6.202E+04 9 3 1.04671E+04 4.38885E-01 3.51825E-01 3.817E-04 4.604E-01 3.253E+04 9 4 1.16765E+04 4.38885E-01 3.60842E-01 1.297E-03 1.745E+00 8.882E+04 9 5 2.64680E+04 4.38885E-01 4.04456E-01 1.169E-03 3.566E+00 1.558E+04 9 6 3.12581E+04 4.38885E-01 4.09732E-01 2.177E-02 7.841E+01 2.081E+05 9 7 3.03757E+05 4.38885E-01 4.35885E-01 3.837E-03 1.343E+02 3.883E+02 9 8 2.70402E+06 4.38885E-01 4.39222E-01 -5.824E-02 1.296E+04 3.795E+01 9 9 5.28547E+04 4.38885E-01 4.56126E-01 -4.272E-03 1.858E+01 7.285E+03 9 10 4.67772E+04 4.38885E-01 4.58366E-01 -1.014E+00 3.905E+03 2.209E+06 9 11 2.93654E+04 4.38885E-01 4.69917E-01 -7.428E-04 1.795E+00 4.104E+03 9 12 2.79478E+04 4.38885E-01 4.71491E-01 -2.487E-01 5.721E+02 1.517E+06 9 13 2.23093E+04 4.38885E-01 4.79732E-01 -2.739E-04 5.029E-01 2.622E+03 9 14 2.16994E+04 4.38885E-01 4.80880E-01 -1.044E-01 1.864E+02 1.056E+06 10 1 2.22885E+03 4.49987E-01 4.11356E-02 1.044E-03 2.682E-01 1.963E+06 10 2 4.64622E+03 4.49987E-01 2.53856E-01 4.163E-03 2.229E+00 1.801E+06 10 3 9.28330E+03 4.49987E-01 3.51825E-01 1.376E-02 1.472E+01 1.491E+06 10 4 1.02223E+04 4.49987E-01 3.60842E-01 5.989E-06 7.054E-03 5.351E+02 10 5 2.00142E+04 4.49987E-01 4.04456E-01 5.551E-02 1.280E+02 1.294E+06 10 6 2.26374E+04 4.49987E-01 4.09732E-01 3.569E-05 9.308E-02 6.503E+02 10 7 6.46198E+04 4.49987E-01 4.35885E-01 6.166E-01 4.591E+03 1.379E+06 10 8 8.46510E+04 4.49987E-01 4.39222E-01 6.977E-04 6.805E+00 9.092E+02 10 9 1.48439E+05 4.49987E-01 4.56126E-01 -1.840E+00 2.248E+04 3.979E+05 10 10 1.08756E+05 4.49987E-01 4.58366E-01 -2.763E-03 2.473E+01 1.113E+03 10 11 4.57234E+04 4.49987E-01 4.69917E-01 -6.972E-05 2.624E-01 1.589E+02 10 12 4.23766E+04 4.49987E-01 4.71491E-01 -1.504E-05 5.244E-02 3.989E+01 10 13 3.06360E+04 4.49987E-01 4.79732E-01 -1.444E-03 3.640E+00 7.328E+03 10 14 2.94975E+04 4.49987E-01 4.80880E-01 -2.007E-08 4.873E-05 1.099E-01 11 1 2.18529E+03 4.58136E-01 4.11356E-02 2.022E-05 5.092E-03 3.954E+04 11 2 4.46087E+03 4.58136E-01 2.53856E-01 8.480E-05 4.359E-02 3.979E+04 11 3 8.57171E+03 4.58136E-01 3.51825E-01 1.742E-04 1.720E-01 2.214E+04 11 4 9.36612E+03 4.58136E-01 3.60842E-01 4.323E-04 4.665E-01 4.601E+04 11 5 1.69759E+04 4.58136E-01 4.04456E-01 3.786E-04 7.405E-01 1.227E+04 11 6 1.88263E+04 4.58136E-01 4.09732E-01 3.743E-03 8.119E+00 9.861E+04 11 7 4.09540E+04 4.58136E-01 4.35885E-01 1.145E-03 5.404E+00 6.375E+03 11 8 4.81795E+04 4.58136E-01 4.39222E-01 3.911E-02 2.171E+02 1.573E+05 11 9 4.53369E+05 4.58136E-01 4.56126E-01 4.540E-03 2.372E+02 2.063E+02 11 10 3.96178E+06 4.58136E-01 4.58366E-01 -7.548E-02 2.461E+04 2.291E+01 11 11 7.73505E+04 4.58136E-01 4.69917E-01 -4.932E-03 3.140E+01 3.927E+03 11 12 6.82341E+04 4.58136E-01 4.71491E-01 -9.952E-01 5.589E+03 1.018E+06 11 13 4.21961E+04 4.58136E-01 4.79732E-01 -8.780E-04 3.049E+00 2.349E+03 11 14 4.00663E+04 4.58136E-01 4.80880E-01 -2.527E-01 8.334E+02 7.500E+05 12 1 2.14643E+03 4.65685E-01 4.11356E-02 6.549E-04 1.620E-01 1.327E+06 12 2 4.30190E+03 4.65685E-01 2.53856E-01 2.373E-03 1.176E+00 1.197E+06 12 3 8.00340E+03 4.65685E-01 3.51825E-01 6.623E-03 6.108E+00 9.655E+05 12 4 8.69173E+03 4.65685E-01 3.60842E-01 2.693E-06 2.697E-03 3.329E+02 12 5 1.48829E+04 4.65685E-01 4.04456E-01 1.885E-02 3.232E+01 7.946E+05 12 6 1.62863E+04 4.65685E-01 4.09732E-01 1.070E-05 2.008E-02 3.767E+02 12 7 3.05794E+04 4.65685E-01 4.35885E-01 7.026E-02 2.476E+02 7.016E+05 12 8 3.44355E+04 4.65685E-01 4.39222E-01 4.923E-05 1.953E-01 3.877E+02 12 9 9.53307E+04 4.65685E-01 4.56126E-01 7.454E-01 8.188E+03 7.659E+05 12 10 1.24507E+05 4.65685E-01 4.58366E-01 8.743E-04 1.254E+01 5.266E+02 12 11 2.15328E+05 4.65685E-01 4.69917E-01 -2.066E+00 3.661E+04 2.122E+05 12 12 1.56953E+05 4.65685E-01 4.71491E-01 -3.040E-03 3.927E+01 5.880E+02 12 13 6.48727E+04 4.65685E-01 4.79732E-01 -5.480E-04 2.926E+00 6.204E+02 12 14 5.99716E+04 4.65685E-01 4.80880E-01 -2.916E-05 1.439E-01 3.863E+01 13 1 2.11827E+03 4.71329E-01 4.11356E-02 1.159E-05 2.828E-03 2.411E+04 13 2 4.19025E+03 4.71329E-01 2.53856E-01 5.080E-05 2.453E-02 2.702E+04 13 3 7.62541E+03 4.71329E-01 3.51825E-01 9.654E-05 8.483E-02 1.550E+04 13 4 8.24773E+03 4.71329E-01 3.60842E-01 1.992E-04 1.893E-01 2.734E+04 13 5 1.36268E+04 4.71329E-01 4.04456E-01 1.784E-04 2.801E-01 8.970E+03 13 6 1.47940E+04 4.71329E-01 4.09732E-01 1.298E-03 2.213E+00 5.538E+04 13 7 2.57101E+04 4.71329E-01 4.35885E-01 3.791E-04 1.123E+00 5.356E+03 13 8 2.83822E+04 4.71329E-01 4.39222E-01 7.089E-03 2.318E+01 8.217E+04 13 9 5.99400E+04 4.71329E-01 4.56126E-01 1.148E-03 7.927E+00 2.983E+03 13 10 7.02976E+04 4.71329E-01 4.58366E-01 5.920E-02 4.795E+02 1.119E+05 13 11 6.45371E+05 4.71329E-01 4.69917E-01 5.214E-03 3.877E+02 1.169E+02 13 12 5.62492E+06 4.71329E-01 4.71491E-01 -9.156E-02 4.239E+04 1.379E+01 13 13 1.08445E+05 4.71329E-01 4.79732E-01 -5.604E-03 5.002E+01 2.270E+03 13 14 9.54108E+04 4.71329E-01 4.80880E-01 -9.908E-01 7.780E+03 5.185E+05 14 1 2.09220E+03 4.76691E-01 4.11356E-02 4.411E-04 1.063E-01 9.411E+05 14 2 4.08943E+03 4.76691E-01 2.53856E-01 1.503E-03 7.083E-01 8.393E+05 14 3 7.29796E+03 4.76691E-01 3.51825E-01 3.800E-03 3.195E+00 6.662E+05 14 4 7.86599E+03 4.76691E-01 3.60842E-01 1.484E-06 1.345E-03 2.239E+02 14 5 1.26153E+04 4.76691E-01 4.04456E-01 9.106E-03 1.324E+01 5.343E+05 14 6 1.36093E+04 4.76691E-01 4.09732E-01 4.857E-06 7.617E-03 2.449E+02 14 7 2.23317E+04 4.76691E-01 4.35885E-01 2.390E-02 6.149E+01 4.475E+05 14 8 2.43206E+04 4.76691E-01 4.39222E-01 1.491E-05 4.178E-02 2.354E+02 14 9 4.43115E+04 4.76691E-01 4.56126E-01 8.494E-02 4.337E+02 4.040E+05 14 10 4.97281E+04 4.76691E-01 4.58366E-01 6.197E-05 3.551E-01 2.340E+02 14 11 1.34524E+05 4.76691E-01 4.69917E-01 8.743E-01 1.355E+04 4.511E+05 14 12 1.75244E+05 4.76691E-01 4.71491E-01 1.049E-03 2.118E+01 3.189E+02 14 13 2.99660E+05 4.76691E-01 4.79732E-01 -2.289E+00 5.646E+04 1.215E+05 14 14 2.17539E+05 4.76691E-01 4.80880E-01 -3.309E-03 5.924E+01 3.331E+02 15 1 2.07283E+03 4.80761E-01 4.11356E-02 7.254E-06 1.733E-03 1.577E+04 15 2 4.01607E+03 4.80761E-01 2.53856E-01 3.314E-05 1.534E-02 1.919E+04 15 3 7.06759E+03 4.80761E-01 3.51825E-01 6.006E-05 4.891E-02 1.123E+04 15 4 7.59902E+03 4.80761E-01 3.60842E-01 1.099E-04 9.619E-02 1.776E+04 15 5 1.19424E+04 4.80761E-01 4.04456E-01 1.012E-04 1.393E-01 6.628E+03 15 6 1.28295E+04 4.80761E-01 4.09732E-01 6.120E-04 9.047E-01 3.472E+04 15 7 2.03063E+04 4.80761E-01 4.35885E-01 1.816E-04 4.248E-01 4.112E+03 15 8 2.19376E+04 4.80761E-01 4.39222E-01 2.526E-03 6.386E+00 4.902E+04 15 9 3.69908E+04 4.80761E-01 4.56126E-01 3.837E-04 1.635E+00 2.619E+03 15 10 4.06907E+04 4.80761E-01 4.58366E-01 1.113E-02 5.216E+01 6.275E+04 15 11 8.40343E+04 4.80761E-01 4.69917E-01 1.166E-03 1.129E+01 1.542E+03 15 12 9.83030E+04 4.80761E-01 4.71491E-01 8.131E-02 9.210E+02 7.857E+04 15 13 8.85598E+05 4.80761E-01 4.79732E-01 5.869E-03 5.988E+02 6.987E+01 15 14 7.65766E+06 4.80761E-01 4.80880E-01 -1.074E-01 6.771E+04 8.729E+00 5 3 1 5 3 0 :isi,li,ipi,isj,lj,ipj 6 14 84 : ni,nj,ntrs/i,j,wl(A),Ei(Ry),Ej(Ry),f,S,A(/s) 1 1 3.94951E+03 2.71865E-01 4.11356E-02 6.540E-02 2.976E+01 2.796E+07 1 2 5.06006E+04 2.71865E-01 2.53856E-01 1.993E-02 1.162E+02 5.192E+04 1 3 1.13965E+04 2.71865E-01 3.51825E-01 -3.794E-03 4.982E+00 1.948E+05 1 4 1.02416E+04 2.71865E-01 3.60842E-01 -8.503E-02 1.003E+02 5.407E+06 1 5 6.87277E+03 2.71865E-01 4.04456E-01 -6.129E-04 4.853E-01 8.654E+04 1 6 6.60975E+03 2.71865E-01 4.09732E-01 -1.109E-02 8.445E+00 1.693E+06 1 7 5.55583E+03 2.71865E-01 4.35885E-01 -2.176E-04 1.393E-01 4.702E+04 1 8 5.44505E+03 2.71865E-01 4.39222E-01 -3.474E-03 2.180E+00 7.816E+05 1 9 4.94552E+03 2.71865E-01 4.56126E-01 -1.053E-04 5.998E-02 2.870E+04 1 10 4.88612E+03 2.71865E-01 4.58366E-01 -1.557E-03 8.763E-01 4.349E+05 1 11 4.60115E+03 2.71865E-01 4.69917E-01 -6.009E-05 3.186E-02 1.893E+04 1 12 4.56487E+03 2.71865E-01 4.71491E-01 -8.454E-04 4.447E-01 2.706E+05 1 13 4.38390E+03 2.71865E-01 4.79732E-01 -3.800E-05 1.919E-02 1.319E+04 1 14 4.35982E+03 2.71865E-01 4.80880E-01 -5.169E-04 2.596E-01 1.814E+05 2 1 2.84472E+03 3.61472E-01 4.11356E-02 1.426E-02 4.673E+00 1.175E+07 2 2 8.46777E+03 3.61472E-01 2.53856E-01 4.251E-02 4.148E+01 3.955E+06 2 3 9.44611E+04 3.61472E-01 3.51825E-01 3.629E-02 3.949E+02 2.712E+04 2 4 1.44641E+06 3.61472E-01 3.60842E-01 9.617E-04 1.603E+02 3.066E+00 2 5 2.12002E+04 3.61472E-01 4.04456E-01 -9.503E-03 2.321E+01 1.410E+05 2 6 1.88824E+04 3.61472E-01 4.09732E-01 -7.614E-02 1.657E+02 1.424E+06 2 7 1.22461E+04 3.61472E-01 4.35885E-01 -1.545E-03 2.179E+00 6.870E+04 2 8 1.17205E+04 3.61472E-01 4.39222E-01 -1.419E-02 1.917E+01 6.892E+05 2 9 9.62735E+03 3.61472E-01 4.56126E-01 -5.537E-04 6.142E-01 3.985E+04 2 10 9.40478E+03 3.61472E-01 4.58366E-01 -5.154E-03 5.585E+00 3.887E+05 2 11 8.40304E+03 3.61472E-01 4.69917E-01 -2.702E-04 2.616E-01 2.553E+04 2 12 8.28282E+03 3.61472E-01 4.71491E-01 -2.504E-03 2.389E+00 2.434E+05 2 13 7.70562E+03 3.61472E-01 4.79732E-01 -1.555E-04 1.381E-01 1.747E+04 2 14 7.63154E+03 3.61472E-01 4.80880E-01 -1.430E-03 1.257E+00 1.638E+05 3 1 2.46961E+03 4.10128E-01 4.11356E-02 5.686E-03 1.618E+00 6.218E+06 3 2 5.83129E+03 4.10128E-01 2.53856E-01 1.264E-02 8.491E+00 2.479E+06 3 3 1.56298E+04 4.10128E-01 3.51825E-01 3.300E-02 5.943E+01 9.010E+05 3 4 1.84894E+04 4.10128E-01 3.60842E-01 6.203E-04 1.321E+00 1.210E+04 3 5 1.60660E+05 4.10128E-01 4.04456E-01 5.066E-02 9.378E+02 1.309E+04 3 6 2.30128E+06 4.10128E-01 4.09732E-01 1.909E-03 5.061E+02 2.404E+00 3 7 3.53794E+04 4.10128E-01 4.35885E-01 -1.614E-02 6.580E+01 8.600E+04 3 8 3.13215E+04 4.10128E-01 4.39222E-01 -7.211E-02 2.603E+02 4.903E+05 3 9 1.98110E+04 4.10128E-01 4.56126E-01 -2.659E-03 6.069E+00 4.519E+04 3 10 1.88911E+04 4.10128E-01 4.58366E-01 -1.543E-02 3.358E+01 2.883E+05 3 11 1.52414E+04 4.10128E-01 4.69917E-01 -9.620E-04 1.689E+00 2.762E+04 3 12 1.48504E+04 4.10128E-01 4.71491E-01 -6.029E-03 1.032E+01 1.823E+05 3 13 1.30922E+04 4.10128E-01 4.79732E-01 -4.726E-04 7.129E-01 1.839E+04 3 14 1.28797E+04 4.10128E-01 4.80880E-01 -3.063E-03 4.545E+00 1.231E+05 4 1 2.28762E+03 4.39482E-01 4.11356E-02 2.926E-03 7.712E-01 3.729E+06 4 2 4.90916E+03 4.39482E-01 2.53856E-01 5.663E-03 3.203E+00 1.567E+06 4 3 1.03958E+04 4.39482E-01 3.51825E-01 1.104E-02 1.322E+01 6.812E+05 4 4 1.15878E+04 4.39482E-01 3.60842E-01 1.036E-04 1.383E-01 5.146E+03 4 5 2.60169E+04 4.39482E-01 4.04456E-01 2.820E-02 8.455E+01 2.779E+05 4 6 3.06308E+04 4.39482E-01 4.09732E-01 1.520E-03 5.365E+00 1.081E+04 4 7 2.53341E+05 4.39482E-01 4.35885E-01 6.389E-02 1.865E+03 6.639E+03 4 8 3.50493E+06 4.39482E-01 4.39222E-01 2.792E-03 1.128E+03 1.516E+00 4 9 5.47505E+04 4.39482E-01 4.56126E-01 -2.329E-02 1.469E+02 5.182E+04 4 10 4.82560E+04 4.39482E-01 4.58366E-01 -7.043E-02 3.916E+02 2.017E+05 4 11 2.99414E+04 4.39482E-01 4.69917E-01 -3.880E-03 1.339E+01 2.887E+04 4 12 2.84691E+04 4.39482E-01 4.71491E-01 -1.611E-02 5.284E+01 1.326E+05 4 13 2.26402E+04 4.39482E-01 4.79732E-01 -1.415E-03 3.690E+00 1.841E+04 4 14 2.20124E+04 4.39482E-01 4.80880E-01 -6.557E-03 1.663E+01 9.026E+04 5 1 2.18316E+03 4.58543E-01 4.11356E-02 1.732E-03 4.358E-01 2.424E+06 5 2 4.45200E+03 4.58543E-01 2.53856E-01 3.103E-03 1.592E+00 1.044E+06 5 3 8.53902E+03 4.58543E-01 3.51825E-01 5.251E-03 5.167E+00 4.804E+05 5 4 9.32710E+03 4.58543E-01 3.60842E-01 3.531E-05 3.795E-02 2.708E+03 5 5 1.68482E+04 4.58543E-01 4.04456E-01 9.977E-03 1.937E+01 2.344E+05 5 6 1.86693E+04 4.58543E-01 4.09732E-01 2.714E-04 5.838E-01 5.194E+03 5 7 4.02184E+04 4.58543E-01 4.35885E-01 2.551E-02 1.182E+02 1.052E+05 5 8 4.71646E+04 4.58543E-01 4.39222E-01 2.657E-03 1.444E+01 7.966E+03 5 9 3.77024E+05 4.58543E-01 4.56126E-01 7.634E-02 3.317E+03 3.582E+03 5 10 5.14852E+06 4.58543E-01 4.58366E-01 3.640E-03 2.159E+03 9.159E-01 5 11 8.01185E+04 4.58543E-01 4.69917E-01 -3.074E-02 2.838E+02 3.194E+04 5 12 7.03790E+04 4.58543E-01 4.71491E-01 -7.006E-02 5.681E+02 9.434E+04 5 13 4.30066E+04 4.58543E-01 4.79732E-01 -5.171E-03 2.563E+01 1.865E+04 5 14 4.07963E+04 4.58543E-01 4.80880E-01 -1.661E-02 7.810E+01 6.658E+04 6 1 2.11685E+03 4.71618E-01 4.11356E-02 1.122E-03 2.736E-01 1.670E+06 6 2 4.18469E+03 4.71618E-01 2.53856E-01 1.915E-03 9.233E-01 7.293E+05 6 3 7.60701E+03 4.71618E-01 3.51825E-01 2.989E-03 2.620E+00 3.445E+05 6 4 8.22621E+03 4.71618E-01 3.60842E-01 1.649E-05 1.563E-02 1.625E+03 6 5 1.35682E+04 4.71618E-01 4.04456E-01 4.903E-03 7.665E+00 1.776E+05 6 6 1.47249E+04 4.71618E-01 4.09732E-01 9.523E-05 1.616E-01 2.929E+03 6 7 2.55021E+04 4.71618E-01 4.35885E-01 9.286E-03 2.729E+01 9.523E+04 6 8 2.81290E+04 4.71618E-01 4.39222E-01 4.980E-04 1.614E+00 4.198E+03 6 9 5.88218E+04 4.71618E-01 4.56126E-01 2.389E-02 1.619E+02 4.606E+04 6 10 6.87645E+04 4.71618E-01 4.58366E-01 3.983E-03 3.156E+01 5.618E+03 6 11 5.35725E+05 4.71618E-01 4.69917E-01 8.834E-02 5.453E+03 2.053E+03 6 12 7.17603E+06 4.71618E-01 4.71491E-01 4.437E-03 3.669E+03 5.747E-01 6 13 1.12308E+05 4.71618E-01 4.79732E-01 -3.843E-02 4.973E+02 2.032E+04 6 14 9.83878E+04 4.71618E-01 4.80880E-01 -7.049E-02 7.991E+02 4.857E+04 5 4 1 5 3 0 :isi,li,ipi,isj,lj,ipj 11 14 154 : ni,nj,ntrs/i,j,wl(A),Ei(Ry),Ej(Ry),f,S,A(/s) 1 1 3.97941E+03 2.70131E-01 4.11356E-02 7.714E-01 3.537E+02 2.527E+08 1 2 5.59919E+04 2.70131E-01 2.53856E-01 2.012E-01 1.298E+03 3.330E+05 1 3 1.11546E+04 2.70131E-01 3.51825E-01 -3.271E-02 5.406E+01 2.254E+06 1 4 1.00458E+04 2.70131E-01 3.60842E-01 -1.026E-03 1.527E+00 8.716E+04 1 5 6.78405E+03 2.70131E-01 4.04456E-01 -5.102E-03 5.128E+00 9.507E+05 1 6 6.52765E+03 2.70131E-01 4.09732E-01 -1.450E-04 1.402E-01 2.917E+04 1 7 5.49771E+03 2.70131E-01 4.35885E-01 -1.776E-03 1.446E+00 5.039E+05 1 8 5.38921E+03 2.70131E-01 4.39222E-01 -4.718E-05 3.767E-02 1.393E+04 1 9 4.89942E+03 2.70131E-01 4.56126E-01 -8.498E-04 6.168E-01 3.036E+05 1 10 4.84111E+03 2.70131E-01 4.58366E-01 -2.155E-05 1.546E-02 7.886E+03 1 11 4.56122E+03 2.70131E-01 4.69917E-01 -4.820E-04 3.257E-01 1.987E+05 1 12 4.52556E+03 2.70131E-01 4.71491E-01 -1.182E-05 7.923E-03 4.948E+03 1 13 4.34763E+03 2.70131E-01 4.79732E-01 -3.038E-04 1.957E-01 1.378E+05 1 14 4.32394E+03 2.70131E-01 4.80880E-01 -7.260E-06 4.651E-03 3.330E+03 2 1 2.85449E+03 3.60376E-01 4.11356E-02 1.592E-01 5.235E+01 1.013E+08 2 2 8.55489E+03 3.60376E-01 2.53856E-01 5.286E-01 5.210E+02 3.747E+07 2 3 1.06568E+05 3.60376E-01 3.51825E-01 3.683E-01 4.522E+03 1.682E+05 2 4 1.95555E+06 3.60376E-01 3.60842E-01 -2.891E-06 8.376E-01 6.483E-03 2 5 2.06730E+04 3.60376E-01 4.04456E-01 -7.889E-02 2.416E+02 1.583E+06 2 6 1.84631E+04 3.60376E-01 4.09732E-01 -8.438E-04 2.308E+00 2.123E+04 2 7 1.20683E+04 3.60376E-01 4.35885E-01 -1.287E-02 2.302E+01 7.580E+05 2 8 1.15576E+04 3.60376E-01 4.39222E-01 -1.706E-04 2.921E-01 1.095E+04 2 9 9.51715E+03 3.60376E-01 4.56126E-01 -4.589E-03 6.470E+00 4.345E+05 2 10 9.29959E+03 3.60376E-01 4.58366E-01 -6.456E-05 8.894E-02 6.401E+03 2 11 8.31896E+03 3.60376E-01 4.69917E-01 -2.229E-03 2.747E+00 2.762E+05 2 12 8.20112E+03 3.60376E-01 4.71491E-01 -3.211E-05 3.901E-02 4.094E+03 2 13 7.63487E+03 3.60376E-01 4.79732E-01 -1.278E-03 1.445E+00 1.880E+05 2 14 7.56213E+03 3.60376E-01 4.80880E-01 -1.863E-05 2.087E-02 2.794E+03 3 1 2.47418E+03 4.09446E-01 4.11356E-02 6.086E-02 1.735E+01 5.157E+07 3 2 5.85685E+03 4.09446E-01 2.53856E-01 1.490E-01 1.006E+02 2.253E+07 3 3 1.58148E+04 4.09446E-01 3.51825E-01 4.226E-01 7.700E+02 8.765E+06 3 4 1.87488E+04 4.09446E-01 3.60842E-01 1.714E-02 3.703E+01 2.530E+05 3 5 1.82618E+05 4.09446E-01 4.04456E-01 5.089E-01 1.071E+04 7.915E+04 3 6 3.18610E+06 4.09446E-01 4.09732E-01 -1.643E-04 7.755E+01 1.388E-01 3 7 3.44668E+04 4.09446E-01 4.35885E-01 -1.306E-01 6.667E+02 9.426E+05 3 8 3.06041E+04 4.09446E-01 4.39222E-01 -1.238E-03 5.615E+00 1.134E+04 3 9 1.95216E+04 4.09446E-01 4.56126E-01 -2.190E-02 6.334E+01 4.928E+05 3 10 1.86277E+04 4.09446E-01 4.58366E-01 -2.609E-04 7.200E-01 6.448E+03 3 11 1.50695E+04 4.09446E-01 4.69917E-01 -7.927E-03 1.770E+01 2.993E+05 3 12 1.46872E+04 4.09446E-01 4.71491E-01 -1.012E-04 2.202E-01 4.024E+03 3 13 1.29651E+04 4.09446E-01 4.79732E-01 -3.887E-03 7.465E+00 1.983E+05 3 14 1.27568E+04 4.09446E-01 4.80880E-01 -5.124E-05 9.684E-02 2.700E+03 4 1 2.47187E+03 4.09791E-01 4.11356E-02 6.203E-04 1.767E-01 5.266E+05 4 2 5.84389E+03 4.09791E-01 2.53856E-01 1.507E-03 1.014E+00 2.289E+05 4 3 1.57207E+04 4.09791E-01 3.51825E-01 3.054E-03 5.533E+00 6.411E+04 4 4 1.86167E+04 4.09791E-01 3.60842E-01 1.657E+00 3.555E+03 2.480E+07 4 5 1.70809E+05 4.09791E-01 4.04456E-01 5.463E-03 1.075E+02 9.713E+02 4 6 1.54508E+07 4.09791E-01 4.09732E-01 2.390E-03 4.255E+03 5.194E-02 4 7 3.49224E+04 4.09791E-01 4.35885E-01 -1.467E-03 7.590E+00 1.032E+04 4 8 3.09628E+04 4.09791E-01 4.39222E-01 -5.642E-03 2.588E+01 5.047E+04 4 9 1.96669E+04 4.09791E-01 4.56126E-01 -2.467E-04 7.187E-01 5.469E+03 4 10 1.87600E+04 4.09791E-01 4.58366E-01 -7.942E-04 2.207E+00 1.935E+04 4 11 1.51560E+04 4.09791E-01 4.69917E-01 -8.976E-05 2.015E-01 3.351E+03 4 12 1.47693E+04 4.09791E-01 4.71491E-01 -2.424E-04 5.305E-01 9.531E+03 4 13 1.30291E+04 4.09791E-01 4.79732E-01 -4.422E-05 8.536E-02 2.234E+03 4 14 1.28187E+04 4.09791E-01 4.80880E-01 -1.050E-04 1.994E-01 5.479E+03 5 1 2.29018E+03 4.39037E-01 4.11356E-02 3.049E-02 8.045E+00 3.015E+07 5 2 4.92095E+03 4.39037E-01 2.53856E-01 6.491E-02 3.681E+01 1.391E+07 5 3 1.04489E+04 4.39037E-01 3.51825E-01 1.340E-01 1.614E+02 6.368E+06 5 4 1.16538E+04 4.39037E-01 3.60842E-01 3.449E-03 4.631E+00 1.317E+05 5 5 2.63517E+04 4.39037E-01 4.04456E-01 3.680E-01 1.117E+03 2.749E+06 5 6 3.10960E+04 4.39037E-01 4.09732E-01 2.860E-02 1.025E+02 1.534E+05 5 7 2.89109E+05 4.39037E-01 4.35885E-01 6.426E-01 2.141E+04 3.988E+04 5 8 4.92543E+06 4.39037E-01 4.39222E-01 -4.884E-04 3.564E+02 1.727E-01 5 9 5.33247E+04 4.39037E-01 4.56126E-01 -1.856E-01 1.466E+03 5.597E+05 5 10 4.71450E+04 4.39037E-01 4.58366E-01 -1.902E-03 1.328E+01 7.337E+03 5 11 2.95099E+04 4.39037E-01 4.69917E-01 -3.169E-02 1.385E+02 3.121E+05 5 12 2.80787E+04 4.39037E-01 4.71491E-01 -4.013E-04 1.669E+00 4.365E+03 5 13 2.23926E+04 4.39037E-01 4.79732E-01 -1.159E-02 3.845E+01 1.982E+05 5 14 2.17782E+04 4.39037E-01 4.80880E-01 -1.560E-04 5.032E-01 2.820E+03 6 1 2.28884E+03 4.39270E-01 4.11356E-02 5.489E-04 1.448E-01 5.435E+05 6 2 4.91477E+03 4.39270E-01 2.53856E-01 1.173E-03 6.640E-01 2.518E+05 6 3 1.04210E+04 4.39270E-01 3.51825E-01 2.052E-03 2.464E+00 9.802E+04 6 4 1.16192E+04 4.39270E-01 3.60842E-01 1.988E-01 2.662E+02 7.640E+06 6 5 2.61753E+04 4.39270E-01 4.04456E-01 5.451E-03 1.644E+01 4.128E+04 6 6 3.08507E+04 4.39270E-01 4.09732E-01 1.458E+00 5.183E+03 7.947E+06 6 7 2.69209E+05 4.39270E-01 4.35885E-01 1.241E-02 3.849E+02 8.882E+02 6 8 1.89920E+07 4.39270E-01 4.39222E-01 5.686E-03 1.244E+04 8.177E-02 6 9 5.40618E+04 4.39270E-01 4.56126E-01 -3.722E-03 2.981E+01 1.092E+04 6 10 4.77203E+04 4.39270E-01 4.58366E-01 -1.554E-02 1.098E+02 5.851E+04 6 11 2.97343E+04 4.39270E-01 4.69917E-01 -6.329E-04 2.788E+00 6.139E+03 6 12 2.82818E+04 4.39270E-01 4.71491E-01 -2.438E-03 1.021E+01 2.614E+04 6 13 2.25215E+04 4.39270E-01 4.79732E-01 -2.322E-04 7.748E-01 3.926E+03 6 14 2.19002E+04 4.39270E-01 4.80880E-01 -7.876E-04 2.555E+00 1.408E+04 7 1 2.18475E+03 4.58240E-01 4.11356E-02 1.773E-02 4.462E+00 1.927E+07 7 2 4.45860E+03 4.58240E-01 2.53856E-01 3.494E-02 1.795E+01 9.119E+06 7 3 8.56333E+03 4.58240E-01 3.51825E-01 6.217E-02 6.134E+01 4.398E+06 7 4 9.35612E+03 4.58240E-01 3.60842E-01 1.287E-03 1.388E+00 7.630E+04 7 5 1.69431E+04 4.58240E-01 4.04456E-01 1.233E-01 2.408E+02 2.229E+06 7 6 1.87859E+04 4.58240E-01 4.09732E-01 6.323E-03 1.369E+01 9.294E+04 7 7 4.07635E+04 4.58240E-01 4.35885E-01 3.377E-01 1.586E+03 1.054E+06 7 8 4.79160E+04 4.58240E-01 4.39222E-01 3.589E-02 1.981E+02 8.108E+04 7 9 4.31063E+05 4.58240E-01 4.56126E-01 7.594E-01 3.772E+04 2.120E+04 7 10 7.23204E+06 4.58240E-01 4.58366E-01 -8.758E-04 9.383E+02 1.436E-01 7 11 7.80395E+04 4.58240E-01 4.69917E-01 -2.431E-01 2.811E+03 3.423E+05 7 12 6.87696E+04 4.58240E-01 4.71491E-01 -2.744E-03 2.796E+01 4.976E+03 7 13 4.24003E+04 4.58240E-01 4.79732E-01 -4.202E-02 2.640E+02 2.004E+05 7 14 4.02503E+04 4.58240E-01 4.80880E-01 -5.809E-04 3.464E+00 3.075E+03 8 1 2.18390E+03 4.58402E-01 4.11356E-02 4.146E-04 1.043E-01 4.509E+05 8 2 4.45507E+03 4.58402E-01 2.53856E-01 8.251E-04 4.236E-01 2.157E+05 8 3 8.55032E+03 4.58402E-01 3.51825E-01 1.305E-03 1.286E+00 9.263E+04 8 4 9.34058E+03 4.58402E-01 3.60842E-01 5.891E-02 6.341E+01 3.503E+06 8 5 1.68922E+04 4.58402E-01 4.04456E-01 2.549E-03 4.961E+00 4.634E+04 8 6 1.87234E+04 4.58402E-01 4.09732E-01 2.597E-01 5.603E+02 3.843E+06 8 7 4.04702E+04 4.58402E-01 4.35885E-01 6.894E-03 3.215E+01 2.184E+04 8 8 4.75113E+04 4.58402E-01 4.39222E-01 1.348E+00 7.378E+03 3.097E+06 8 9 4.00380E+05 4.58402E-01 4.56126E-01 1.945E-02 8.974E+02 6.295E+02 8 10 2.53121E+07 4.58402E-01 4.58366E-01 9.214E-03 2.687E+04 7.461E-02 8 11 7.91375E+04 4.58402E-01 4.69917E-01 -6.376E-03 7.475E+01 8.730E+03 8 12 6.96208E+04 4.58402E-01 4.71491E-01 -2.864E-02 2.954E+02 5.068E+04 8 13 4.27223E+04 4.58402E-01 4.79732E-01 -1.093E-03 6.916E+00 5.134E+03 8 14 4.05404E+04 4.58402E-01 4.80880E-01 -4.822E-03 2.896E+01 2.516E+04 9 1 2.11791E+03 4.71402E-01 4.11356E-02 1.134E-02 2.767E+00 1.311E+07 9 2 4.18885E+03 4.71402E-01 2.53856E-01 2.131E-02 1.028E+01 6.299E+06 9 3 7.62076E+03 4.71402E-01 3.51825E-01 3.483E-02 3.058E+01 3.111E+06 9 4 8.24229E+03 4.71402E-01 3.60842E-01 6.317E-04 5.999E-01 4.824E+04 9 5 1.36120E+04 4.71402E-01 4.04456E-01 5.917E-02 9.281E+01 1.657E+06 9 6 1.47765E+04 4.71402E-01 4.09732E-01 2.506E-03 4.266E+00 5.953E+04 9 7 2.56572E+04 4.71402E-01 4.35885E-01 1.164E-01 3.440E+02 9.171E+05 9 8 2.83178E+04 4.71402E-01 4.39222E-01 8.360E-03 2.728E+01 5.408E+04 9 9 5.96536E+04 4.71402E-01 4.56126E-01 3.206E-01 2.203E+03 4.673E+05 9 10 6.99040E+04 4.71402E-01 4.58366E-01 4.100E-02 3.302E+02 4.353E+04 9 11 6.13652E+05 4.71402E-01 4.69917E-01 8.711E-01 6.160E+04 1.200E+04 9 12 1.02367E+07 4.71402E-01 4.71491E-01 -1.281E-03 1.943E+03 1.048E-01 9 13 1.09396E+05 4.71402E-01 4.79732E-01 -3.022E-01 4.898E+03 2.166E+05 9 14 9.61455E+04 4.71402E-01 4.80880E-01 -3.722E-03 5.302E+01 3.453E+03 10 1 2.11734E+03 4.71519E-01 4.11356E-02 3.077E-04 7.507E-02 3.561E+05 10 2 4.18660E+03 4.71519E-01 2.53856E-01 5.857E-04 2.825E-01 1.734E+05 10 3 7.61331E+03 4.71519E-01 3.51825E-01 8.706E-04 7.637E-01 7.792E+04 10 4 8.23357E+03 4.71519E-01 3.60842E-01 2.545E-02 2.414E+01 1.947E+06 10 5 1.35882E+04 4.71519E-01 4.04456E-01 1.463E-03 2.291E+00 4.112E+04 10 6 1.47485E+04 4.71519E-01 4.09732E-01 9.089E-02 1.545E+02 2.168E+06 10 7 2.55730E+04 4.71519E-01 4.35885E-01 2.880E-03 8.486E+00 2.285E+04 10 8 2.82152E+04 4.71519E-01 4.39222E-01 2.825E-01 9.183E+02 1.841E+06 10 9 5.92001E+04 4.71519E-01 4.56126E-01 7.800E-03 5.321E+01 1.155E+04 10 10 6.92821E+04 4.71519E-01 4.58366E-01 1.285E+00 1.026E+04 1.389E+06 10 11 5.68833E+05 4.71519E-01 4.69917E-01 2.635E-02 1.727E+03 4.225E+02 10 12 3.25634E+07 4.71519E-01 4.71491E-01 1.274E-02 4.781E+04 6.234E-02 10 13 1.10954E+05 4.71519E-01 4.79732E-01 -9.231E-03 1.517E+02 6.430E+03 10 14 9.73472E+04 4.71519E-01 4.80880E-01 -4.429E-02 6.387E+02 4.008E+04 11 1 2.07258E+03 4.80814E-01 4.11356E-02 7.740E-03 1.848E+00 9.347E+06 11 2 4.01514E+03 4.80814E-01 2.53856E-01 1.409E-02 6.518E+00 4.534E+06 11 3 7.06469E+03 4.80814E-01 3.51825E-01 2.184E-02 1.778E+01 2.270E+06 11 4 7.59566E+03 4.80814E-01 3.60842E-01 3.626E-04 3.173E-01 3.260E+04 11 5 1.19341E+04 4.80814E-01 4.04456E-01 3.394E-02 4.667E+01 1.236E+06 11 6 1.28199E+04 4.80814E-01 4.09732E-01 1.282E-03 1.893E+00 4.046E+04 11 7 2.02824E+04 4.80814E-01 4.35885E-01 5.689E-02 1.329E+02 7.174E+05 11 8 2.19097E+04 4.80814E-01 4.39222E-01 3.431E-03 8.663E+00 3.708E+04 11 9 3.69113E+04 4.80814E-01 4.56126E-01 1.120E-01 4.762E+02 4.263E+05 11 10 4.05946E+04 4.80814E-01 4.58366E-01 9.846E-03 4.605E+01 3.099E+04 11 11 8.36254E+04 4.80814E-01 4.69917E-01 3.106E-01 2.993E+03 2.304E+05 11 12 9.77440E+04 4.80814E-01 4.71491E-01 4.497E-02 5.065E+02 2.442E+04 11 13 8.42204E+05 4.80814E-01 4.79732E-01 9.843E-01 9.552E+04 7.199E+03 11 14 1.38108E+07 4.80814E-01 4.80880E-01 -1.687E-03 3.451E+03 7.583E-02 5 3 1 5 4 0 :isi,li,ipi,isj,lj,ipj 6 5 30 : ni,nj,ntrs/i,j,wl(A),Ei(Ry),Ej(Ry),f,S,A(/s) 1 1 1.02275E+04 2.71865E-01 3.60965E-01 -1.272E+00 1.499E+03 6.307E+07 1 2 6.60405E+03 2.71865E-01 4.09851E-01 -1.680E-01 1.278E+02 1.998E+07 1 3 5.44199E+03 2.71865E-01 4.39316E-01 -5.320E-02 3.336E+01 9.319E+06 1 4 4.88429E+03 2.71865E-01 4.58436E-01 -2.406E-02 1.354E+01 5.233E+06 1 5 4.56364E+03 2.71865E-01 4.71545E-01 -1.316E-02 6.920E+00 3.278E+06 2 1 1.79738E+06 3.61472E-01 3.60965E-01 8.842E-03 2.354E+03 2.347E+01 2 2 1.88360E+04 3.61472E-01 4.09851E-01 -1.131E+00 2.455E+03 1.654E+07 2 3 1.17063E+04 3.61472E-01 4.39316E-01 -2.133E-01 2.878E+02 8.076E+06 2 4 9.39799E+03 3.61472E-01 4.58436E-01 -7.809E-02 8.456E+01 4.586E+06 2 5 8.27875E+03 3.61472E-01 4.71545E-01 -3.814E-02 3.638E+01 2.887E+06 3 1 1.85356E+04 4.10128E-01 3.60965E-01 6.136E-03 1.685E+01 1.531E+05 3 2 3.28998E+06 4.10128E-01 4.09851E-01 1.554E-02 7.574E+03 1.231E+01 3 3 3.12206E+04 4.10128E-01 4.39316E-01 -1.065E+00 3.831E+03 5.667E+06 3 4 1.88637E+04 4.10128E-01 4.58436E-01 -2.306E-01 5.013E+02 3.362E+06 3 5 1.48374E+04 4.10128E-01 4.71545E-01 -9.074E-02 1.551E+02 2.138E+06 4 1 1.16060E+04 4.39482E-01 3.60965E-01 9.807E-04 1.686E+00 6.243E+04 4 2 3.07539E+04 4.39482E-01 4.09851E-01 1.679E-02 7.648E+01 1.522E+05 4 3 5.48960E+06 4.39482E-01 4.39316E-01 2.090E-02 1.700E+04 5.947E+00 4 4 4.80778E+04 4.39482E-01 4.58436E-01 -1.035E+00 5.734E+03 2.323E+06 4 5 2.84211E+04 4.39482E-01 4.71545E-01 -2.398E-01 7.854E+02 1.540E+06 5 1 9.33886E+03 4.58543E-01 3.60965E-01 3.251E-04 4.498E-01 3.197E+04 5 2 1.87149E+04 4.58543E-01 4.09851E-01 2.931E-03 8.127E+00 7.177E+04 5 3 4.73952E+04 4.58543E-01 4.39316E-01 3.076E-02 2.159E+02 1.174E+05 5 4 8.51728E+06 4.58543E-01 4.58436E-01 2.556E-02 3.225E+04 3.021E+00 5 5 7.00866E+04 4.58543E-01 4.71545E-01 -1.026E+00 8.286E+03 1.084E+06 6 1 8.23536E+03 4.71618E-01 3.60965E-01 1.490E-04 1.817E-01 1.883E+04 6 2 1.47533E+04 4.71618E-01 4.09851E-01 1.014E-03 2.217E+00 3.997E+04 6 3 2.82109E+04 4.71618E-01 4.39316E-01 5.682E-03 2.375E+01 6.123E+04 6 4 6.91297E+04 4.71618E-01 4.58436E-01 4.720E-02 4.834E+02 8.470E+04 6 5 1.24855E+07 4.71618E-01 4.71545E-01 2.982E-02 5.516E+04 1.641E+00 5 4 1 5 4 0 :isi,li,ipi,isj,lj,ipj 11 5 55 : ni,nj,ntrs/i,j,wl(A),Ei(Ry),Ej(Ry),f,S,A(/s) 1 1 1.00322E+04 2.70131E-01 3.60965E-01 -6.476E-02 9.624E+01 4.291E+06 1 2 6.52209E+03 2.70131E-01 4.09851E-01 -9.033E-03 8.728E+00 1.416E+06 1 3 5.38622E+03 2.70131E-01 4.39316E-01 -2.940E-03 2.346E+00 6.759E+05 1 4 4.83931E+03 2.70131E-01 4.58436E-01 -1.351E-03 9.688E-01 3.849E+05 1 5 4.52435E+03 2.70131E-01 4.71545E-01 -7.471E-04 5.008E-01 2.434E+05 2 1 1.54711E+06 3.60376E-01 3.60965E-01 -7.013E-04 1.607E+02 1.954E+00 2 2 1.84187E+04 3.60376E-01 4.09851E-01 -5.618E-02 1.533E+02 1.104E+06 2 3 1.15438E+04 3.60376E-01 4.39316E-01 -1.118E-02 1.911E+01 5.594E+05 2 4 9.29295E+03 3.60376E-01 4.58436E-01 -4.189E-03 5.767E+00 3.235E+05 2 5 8.19713E+03 3.60376E-01 4.71545E-01 -2.075E-03 2.520E+00 2.060E+05 3 1 1.87964E+04 4.09446E-01 3.60965E-01 1.817E-05 5.059E-02 3.430E+02 3 2 2.24997E+06 4.09446E-01 4.09851E-01 -1.322E-03 4.407E+02 1.742E+00 3 3 3.05078E+04 4.09446E-01 4.39316E-01 -5.060E-02 2.287E+02 3.626E+05 3 4 1.86011E+04 4.09446E-01 4.58436E-01 -1.158E-02 3.190E+01 2.232E+05 3 5 1.46744E+04 4.09446E-01 4.71545E-01 -4.667E-03 1.015E+01 1.445E+05 4 1 1.86636E+04 4.09791E-01 3.60965E-01 6.758E-02 1.868E+02 1.294E+06 4 2 1.51822E+07 4.09791E-01 4.09851E-01 -1.300E-04 2.924E+02 3.762E-03 4 3 3.08642E+04 4.09791E-01 4.39316E-01 -1.718E-03 7.856E+00 1.203E+04 4 4 1.87330E+04 4.09791E-01 4.58436E-01 -3.216E-04 8.924E-01 6.112E+03 4 5 1.47564E+04 4.09791E-01 4.71545E-01 -1.170E-04 2.558E-01 3.584E+03 5 1 1.16721E+04 4.39037E-01 3.60965E-01 9.704E-06 1.678E-02 4.751E+02 5 2 3.12228E+04 4.39037E-01 4.09851E-01 1.050E-05 4.859E-02 7.187E+01 5 3 3.26608E+06 4.39037E-01 4.39316E-01 -7.629E-03 3.691E+03 4.770E+00 5 4 4.69749E+04 4.39037E-01 4.58436E-01 -4.720E-02 3.285E+02 1.427E+05 5 5 2.80321E+04 4.39037E-01 4.71545E-01 -1.158E-02 4.811E+01 9.833E+04 6 1 1.16374E+04 4.39270E-01 3.60965E-01 8.102E-03 1.397E+01 3.990E+05 6 2 3.09755E+04 4.39270E-01 4.09851E-01 6.116E-02 2.806E+02 4.251E+05 6 3 1.98038E+07 4.39270E-01 4.39316E-01 -3.069E-04 9.004E+02 5.219E-03 6 4 4.75460E+04 4.39270E-01 4.58436E-01 -3.578E-03 2.520E+01 1.056E+04 6 5 2.82344E+04 4.39270E-01 4.71545E-01 -7.098E-04 2.969E+00 5.939E+03 7 1 9.36795E+03 4.58240E-01 3.60965E-01 4.960E-06 6.884E-03 3.770E+02 7 2 1.88321E+04 4.58240E-01 4.09851E-01 3.164E-07 8.828E-04 5.951E+00 7 3 4.81540E+04 4.58240E-01 4.39316E-01 1.569E-04 1.120E+00 4.514E+02 7 4 4.64909E+06 4.58240E-01 4.58436E-01 -5.649E-03 3.891E+03 1.743E+00 7 5 6.84905E+04 4.58240E-01 4.71545E-01 -4.516E-02 4.582E+02 6.420E+04 8 1 9.35237E+03 4.58402E-01 3.60965E-01 2.400E-03 3.325E+00 1.830E+05 8 2 1.87693E+04 4.58402E-01 4.09851E-01 1.082E-02 3.009E+01 2.049E+05 8 3 4.77453E+04 4.58402E-01 4.39316E-01 5.818E-02 4.115E+02 1.702E+05 8 4 2.67985E+07 4.58402E-01 4.58436E-01 -4.964E-04 1.971E+03 4.611E-03 8 5 6.93348E+04 4.58402E-01 4.71545E-01 -5.447E-03 5.595E+01 7.557E+03 9 1 8.25147E+03 4.71402E-01 3.60965E-01 2.829E-06 3.458E-03 2.771E+02 9 2 1.48051E+04 4.71402E-01 4.09851E-01 9.936E-07 2.179E-03 3.023E+01 9 3 2.84008E+04 4.71402E-01 4.39316E-01 1.023E-05 4.303E-02 8.456E+01 9 4 7.02814E+04 4.71402E-01 4.58436E-01 4.833E-04 5.032E+00 6.527E+02 9 5 6.37155E+06 4.71402E-01 4.71545E-01 -3.002E-03 2.834E+03 4.933E-01 10 1 8.24273E+03 4.71519E-01 3.60965E-01 1.036E-03 1.265E+00 1.017E+05 10 2 1.47770E+04 4.71519E-01 4.09851E-01 3.776E-03 8.265E+00 1.153E+05 10 3 2.82976E+04 4.71519E-01 4.39316E-01 1.205E-02 5.050E+01 1.003E+05 10 4 6.96529E+04 4.71519E-01 4.58436E-01 5.700E-02 5.882E+02 7.836E+04 10 5 3.50253E+07 4.71519E-01 4.71545E-01 -6.864E-04 3.562E+03 3.732E-03 11 1 7.60346E+03 4.80814E-01 3.60965E-01 1.774E-06 1.999E-03 2.047E+02 11 2 1.28414E+04 4.80814E-01 4.09851E-01 9.682E-07 1.842E-03 3.916E+01 11 3 2.19593E+04 4.80814E-01 4.39316E-01 1.200E-06 3.904E-03 1.660E+01 11 4 4.07216E+04 4.80814E-01 4.58436E-01 5.307E-05 3.201E-01 2.134E+02 11 5 9.83134E+04 4.80814E-01 4.71545E-01 9.653E-04 1.406E+01 6.661E+02 5 5 1 5 4 0 :isi,li,ipi,isj,lj,ipj 4 5 20 : ni,nj,ntrs/i,j,wl(A),Ei(Ry),Ej(Ry),f,S,A(/s) 1 1 1.86636E+04 4.09791E-01 3.60965E-01 1.611E+00 4.455E+03 2.524E+07 1 2 1.51822E+07 4.09791E-01 4.09851E-01 -1.942E-03 5.338E+03 6.868E-02 1 3 3.08642E+04 4.09791E-01 4.39316E-01 -5.862E-03 3.276E+01 5.016E+04 1 4 1.87330E+04 4.09791E-01 4.58436E-01 -8.362E-04 2.836E+00 1.942E+04 1 5 1.47564E+04 4.09791E-01 4.71545E-01 -2.571E-04 6.869E-01 9.625E+03 2 1 1.16374E+04 4.39270E-01 3.60965E-01 1.931E-01 3.329E+02 7.780E+06 2 2 3.09755E+04 4.39270E-01 4.09851E-01 1.438E+00 6.597E+03 8.176E+06 2 3 1.98038E+07 4.39270E-01 4.39316E-01 -4.431E-03 1.589E+04 9.210E-02 2 4 4.75460E+04 4.39270E-01 4.58436E-01 -1.598E-02 1.376E+02 5.764E+04 2 5 2.82344E+04 4.39270E-01 4.71545E-01 -2.536E-03 1.297E+01 2.594E+04 3 1 9.35237E+03 4.58402E-01 3.60965E-01 5.720E-02 7.925E+01 3.569E+06 3 2 1.87693E+04 4.58402E-01 4.09851E-01 2.547E-01 7.081E+02 3.945E+06 3 3 4.77453E+04 4.58402E-01 4.39316E-01 1.344E+00 9.508E+03 3.218E+06 3 4 2.67985E+07 4.58402E-01 4.58436E-01 -7.016E-03 3.405E+04 7.964E-02 3 5 6.93348E+04 4.58402E-01 4.71545E-01 -2.935E-02 3.684E+02 4.976E+04 4 1 8.24273E+03 4.71519E-01 3.60965E-01 2.471E-02 3.018E+01 1.985E+06 4 2 1.47770E+04 4.71519E-01 4.09851E-01 8.891E-02 1.946E+02 2.222E+06 4 3 2.82976E+04 4.71519E-01 4.39316E-01 2.793E-01 1.171E+03 1.904E+06 4 4 6.96529E+04 4.71519E-01 4.58436E-01 1.293E+00 1.334E+04 1.455E+06 4 5 3.50253E+07 4.71519E-01 4.71545E-01 -9.564E-03 6.065E+04 6.355E-02 5 4 1 5 5 0 :isi,li,ipi,isj,lj,ipj 11 9 99 : ni,nj,ntrs/i,j,wl(A),Ei(Ry),Ej(Ry),f,S,A(/s) 1 1 1.00431E+04 2.70131E-01 3.60867E-01 -1.269E+00 1.889E+03 6.868E+07 1 2 6.52649E+03 2.70131E-01 4.09757E-01 -1.757E-01 1.698E+02 2.251E+07 1 3 5.38857E+03 2.70131E-01 4.39242E-01 -5.662E-02 4.520E+01 1.064E+07 1 4 5.38775E+03 2.70131E-01 4.39268E-01 -3.056E-04 2.439E-01 5.744E+04 1 5 4.84073E+03 2.70131E-01 4.58381E-01 -2.576E-02 1.847E+01 5.998E+06 1 6 4.84024E+03 2.70131E-01 4.58400E-01 -2.098E-04 1.504E-01 4.886E+04 1 7 4.52529E+03 2.70131E-01 4.71503E-01 -1.413E-02 9.472E+00 3.765E+06 1 8 4.52529E+03 2.70131E-01 4.71503E-01 -1.413E-02 9.472E+00 3.765E+06 1 9 4.32349E+03 2.70131E-01 4.80902E-01 -1.233E-04 7.897E-02 3.599E+04 2 1 1.85597E+06 3.60376E-01 3.60867E-01 -1.135E-02 3.120E+03 1.798E+01 2 2 1.84538E+04 3.60376E-01 4.09757E-01 -1.106E+00 3.022E+03 1.772E+07 2 3 1.15546E+04 3.60376E-01 4.39242E-01 -2.176E-01 3.724E+02 8.893E+06 2 4 1.15508E+04 3.60376E-01 4.39268E-01 -1.150E-03 1.969E+00 4.705E+04 2 5 9.29817E+03 3.60376E-01 4.58381E-01 -8.076E-02 1.112E+02 5.097E+06 2 6 9.29637E+03 3.60376E-01 4.58400E-01 -6.462E-04 8.900E-01 4.081E+04 2 7 8.20023E+03 3.60376E-01 4.71503E-01 -3.973E-02 4.827E+01 3.225E+06 2 8 8.20023E+03 3.60376E-01 4.71503E-01 -3.973E-02 4.827E+01 3.225E+06 2 9 7.56075E+03 3.60376E-01 4.80902E-01 -3.196E-04 3.579E-01 3.051E+04 3 1 1.87585E+04 4.09446E-01 3.60867E-01 8.684E-03 2.949E+01 2.012E+05 3 2 2.93024E+06 4.09446E-01 4.09757E-01 -2.278E-02 9.888E+03 1.448E+01 3 3 3.05835E+04 4.09446E-01 4.39242E-01 -1.030E+00 4.669E+03 6.012E+06 3 4 3.05569E+04 4.09446E-01 4.39268E-01 -5.247E-03 2.375E+01 3.066E+04 3 5 1.86220E+04 4.09446E-01 4.58381E-01 -2.320E-01 6.400E+02 3.651E+06 3 6 1.86148E+04 4.09446E-01 4.58400E-01 -3.271E-05 9.021E-02 5.152E+02 3 7 1.46844E+04 4.09446E-01 4.71503E-01 -9.264E-02 2.015E+02 2.345E+06 3 8 1.46844E+04 4.09446E-01 4.71503E-01 -9.264E-02 2.015E+02 2.345E+06 3 9 1.27528E+04 4.09446E-01 4.80902E-01 -8.422E-05 1.591E-01 2.826E+03 4 1 1.86262E+04 4.09791E-01 3.60867E-01 2.102E-04 7.089E-01 4.939E+03 4 2 2.67985E+07 4.09791E-01 4.09757E-01 1.640E-05 7.958E+01 1.862E-04 4 3 3.09418E+04 4.09791E-01 4.39242E-01 -3.453E-04 1.583E+00 1.968E+03 4 4 3.09145E+04 4.09791E-01 4.39268E-01 -1.996E+00 9.139E+03 1.139E+07 4 5 1.87542E+04 4.09791E-01 4.58381E-01 -7.522E-05 2.090E-01 1.167E+03 4 6 1.87469E+04 4.09791E-01 4.58400E-01 -2.168E-01 6.020E+02 3.366E+06 4 7 1.47664E+04 4.09791E-01 4.71503E-01 -3.113E-05 6.811E-02 7.792E+02 4 8 1.47664E+04 4.09791E-01 4.71503E-01 -3.113E-05 6.811E-02 7.792E+02 4 9 1.28147E+04 4.09791E-01 4.80902E-01 -2.476E-02 4.700E+01 8.227E+05 5 1 1.16575E+04 4.39037E-01 3.60867E-01 1.379E-03 2.911E+00 8.273E+04 5 2 3.11225E+04 4.39037E-01 4.09757E-01 2.267E-02 1.278E+02 1.908E+05 5 3 4.44498E+06 4.39037E-01 4.39242E-01 -3.378E-02 2.224E+04 9.329E+00 5 4 3.94492E+06 4.39037E-01 4.39268E-01 -6.898E-06 4.031E+00 2.419E-03 5 5 4.71085E+04 4.39037E-01 4.58381E-01 -9.938E-01 6.935E+03 2.444E+06 5 6 4.70622E+04 4.39037E-01 4.58400E-01 -8.804E-03 6.139E+01 2.169E+04 5 7 2.80684E+04 4.39037E-01 4.71503E-01 -2.393E-01 9.952E+02 1.658E+06 5 8 2.80684E+04 4.39037E-01 4.71503E-01 -2.393E-01 9.952E+02 1.658E+06 5 9 2.17668E+04 4.39037E-01 4.80902E-01 -4.140E-05 1.335E-01 4.768E+02 6 1 1.16229E+04 4.39270E-01 3.60867E-01 1.166E-05 2.453E-02 7.034E+02 6 2 3.08768E+04 4.39270E-01 4.09757E-01 6.798E-06 3.801E-02 5.813E+01 6 3 3.25634E+07 4.39270E-01 4.39242E-01 2.558E-05 1.508E+02 1.967E-04 6 4 4.56374E+08 4.39270E-01 4.39268E-01 1.395E-04 1.153E+04 5.460E-06 6 5 4.76828E+04 4.39270E-01 4.58381E-01 -3.504E-04 2.476E+00 8.411E+02 6 6 4.76354E+04 4.39270E-01 4.58400E-01 -1.789E+00 1.262E+04 4.302E+06 6 7 2.82712E+04 4.39270E-01 4.71503E-01 -8.751E-05 3.665E-01 5.975E+02 6 8 2.82712E+04 4.39270E-01 4.71503E-01 -8.751E-05 3.665E-01 5.975E+02 6 9 2.18886E+04 4.39270E-01 4.80902E-01 -9.851E-02 3.194E+02 1.122E+06 7 1 9.35852E+03 4.58240E-01 3.60867E-01 4.591E-04 7.779E-01 4.273E+04 7 2 1.87956E+04 4.58240E-01 4.09757E-01 3.924E-03 1.335E+01 9.054E+04 7 3 4.79665E+04 4.58240E-01 4.39242E-01 4.053E-02 3.520E+02 1.436E+05 7 4 4.80322E+04 4.58240E-01 4.39268E-01 7.671E-06 6.671E-02 2.710E+01 7 5 6.46313E+06 4.58240E-01 4.58381E-01 -4.422E-02 4.234E+04 5.777E+00 7 6 5.69511E+06 4.58240E-01 4.58400E-01 -1.629E-03 1.375E+03 2.741E-01 7 7 6.87075E+04 4.58240E-01 4.71503E-01 -9.796E-01 9.971E+03 1.132E+06 7 8 6.87075E+04 4.58240E-01 4.71503E-01 -9.796E-01 9.971E+03 1.132E+06 7 9 4.02113E+04 4.58240E-01 4.80902E-01 -1.017E-03 6.060E+00 3.433E+03 8 1 9.34297E+03 4.58402E-01 3.60867E-01 1.817E-06 3.075E-03 1.697E+02 8 2 1.87330E+04 4.58402E-01 4.09757E-01 1.245E-08 4.221E-05 2.891E-01 8 3 4.75609E+04 4.58402E-01 4.39242E-01 1.577E-05 1.358E-01 5.683E+01 8 4 4.76255E+04 4.58402E-01 4.39268E-01 5.167E-03 4.456E+01 1.857E+04 8 5 4.33717E+07 4.58402E-01 4.58381E-01 2.829E-05 2.222E+02 1.226E-04 8 6 4.56374E+08 4.58402E-01 4.58400E-01 3.329E-04 2.751E+04 1.303E-05 8 7 6.95572E+04 4.58402E-01 4.71503E-01 -3.191E-04 3.288E+00 3.599E+02 8 8 6.95572E+04 4.58402E-01 4.71503E-01 -3.191E-04 3.288E+00 3.599E+02 8 9 4.05008E+04 4.58402E-01 4.80902E-01 -3.302E-01 1.981E+03 1.099E+06 9 1 8.24415E+03 4.71402E-01 3.60867E-01 2.113E-04 3.154E-01 2.534E+04 9 2 1.47825E+04 4.71402E-01 4.09757E-01 1.362E-03 3.645E+00 5.080E+04 9 3 2.83354E+04 4.71402E-01 4.39242E-01 7.393E-03 3.793E+01 7.506E+04 9 4 2.83583E+04 4.71402E-01 4.39268E-01 2.784E-06 1.429E-02 2.822E+01 9 5 6.99845E+04 4.71402E-01 4.58381E-01 6.127E-02 7.764E+02 1.020E+05 9 6 7.00868E+04 4.71402E-01 4.58400E-01 6.567E-07 8.334E-03 1.090E+00 9 7 9.02244E+06 4.71402E-01 4.71503E-01 -5.427E-02 7.253E+04 3.638E+00 9 8 9.02244E+06 4.71402E-01 4.71503E-01 -5.427E-02 7.253E+04 3.638E+00 9 9 9.59229E+04 4.71402E-01 4.80902E-01 -8.687E-03 1.234E+02 5.152E+03 10 1 8.23543E+03 4.71519E-01 3.60867E-01 4.551E-07 6.786E-04 5.470E+01 10 2 1.47545E+04 4.71519E-01 4.09757E-01 8.965E-08 2.395E-04 3.357E+00 10 3 2.82327E+04 4.71519E-01 4.39242E-01 5.453E-06 2.787E-02 5.577E+01 10 4 2.82555E+04 4.71519E-01 4.39268E-01 6.715E-04 3.435E+00 6.856E+03 10 5 6.93612E+04 4.71519E-01 4.58381E-01 6.471E-05 8.127E-01 1.096E+02 10 6 6.94617E+04 4.71519E-01 4.58400E-01 1.443E-02 1.815E+02 2.438E+04 10 7 5.69405E+07 4.71519E-01 4.71503E-01 2.844E-05 2.932E+02 7.150E-05 10 8 5.69405E+07 4.71519E-01 4.71503E-01 2.844E-05 2.932E+02 7.150E-05 10 9 9.71190E+04 4.71519E-01 4.80902E-01 -1.592E+00 2.291E+04 9.212E+05 11 1 7.59725E+03 4.80814E-01 3.60867E-01 1.162E-04 1.599E-01 1.641E+04 11 2 1.28244E+04 4.80814E-01 4.09757E-01 6.411E-04 1.489E+00 3.178E+04 11 3 2.19202E+04 4.80814E-01 4.39242E-01 2.635E-03 1.046E+01 4.470E+04 11 4 2.19339E+04 4.80814E-01 4.39268E-01 1.342E-06 5.329E-03 2.274E+01 11 5 4.06217E+04 4.80814E-01 4.58381E-01 1.158E-02 8.517E+01 5.721E+04 11 6 4.06562E+04 4.80814E-01 4.58400E-01 1.245E-06 9.166E-03 6.141E+00 11 7 9.78697E+04 4.80814E-01 4.71503E-01 8.407E-02 1.490E+03 7.155E+04 11 8 9.78697E+04 4.80814E-01 4.71503E-01 8.407E-02 1.490E+03 7.155E+04 11 9 1.03581E+07 4.80814E-01 4.80902E-01 -3.427E-03 5.258E+03 1.743E-01 5 5 1 5 5 0 :isi,li,ipi,isj,lj,ipj 4 9 36 : ni,nj,ntrs/i,j,wl(A),Ei(Ry),Ej(Ry),f,S,A(/s) 1 1 1.86262E+04 4.09791E-01 3.60867E-01 5.482E-02 1.849E+02 1.054E+06 1 2 2.67985E+07 4.09791E-01 4.09757E-01 4.495E-05 2.181E+02 4.174E-04 1 3 3.09418E+04 4.09791E-01 4.39242E-01 -1.707E-06 9.563E-03 1.189E+01 1 4 3.09145E+04 4.09791E-01 4.39268E-01 -5.598E-02 3.134E+02 3.907E+05 1 5 1.87542E+04 4.09791E-01 4.58381E-01 -7.275E-07 2.470E-03 1.380E+01 1 6 1.87469E+04 4.09791E-01 4.58400E-01 -6.055E-03 2.055E+01 1.149E+05 1 7 1.47664E+04 4.09791E-01 4.71503E-01 -9.284E-07 2.482E-03 2.840E+01 1 8 1.47664E+04 4.09791E-01 4.71503E-01 -9.284E-07 2.482E-03 2.840E+01 1 9 1.28147E+04 4.09791E-01 4.80902E-01 -6.853E-04 1.590E+00 2.783E+04 2 1 1.16229E+04 4.39270E-01 3.60867E-01 6.616E-03 1.392E+01 3.267E+05 2 2 3.08768E+04 4.39270E-01 4.09757E-01 4.873E-02 2.724E+02 3.409E+05 2 3 3.25634E+07 4.39270E-01 4.39242E-01 1.000E-04 5.897E+02 6.291E-04 2 4 4.56374E+08 4.39270E-01 4.39268E-01 4.687E-06 3.873E+02 1.501E-07 2 5 4.76828E+04 4.39270E-01 4.58381E-01 -4.109E-05 3.548E-01 1.205E+02 2 6 4.76354E+04 4.39270E-01 4.58400E-01 -5.080E-02 4.382E+02 1.493E+05 2 7 2.82712E+04 4.39270E-01 4.71503E-01 -7.082E-07 3.625E-03 5.910E+00 2 8 2.82712E+04 4.39270E-01 4.71503E-01 -7.080E-07 3.624E-03 5.908E+00 2 9 2.18886E+04 4.39270E-01 4.80902E-01 -2.775E-03 1.100E+01 3.863E+04 3 1 9.34297E+03 4.58402E-01 3.60867E-01 1.967E-03 3.328E+00 1.503E+05 3 2 1.87330E+04 4.58402E-01 4.09757E-01 8.705E-03 2.953E+01 1.655E+05 3 3 4.75609E+04 4.58402E-01 4.39242E-01 4.487E-02 3.864E+02 1.323E+05 3 4 4.76255E+04 4.58402E-01 4.39268E-01 8.500E-04 7.330E+00 2.500E+03 3 5 4.33717E+07 4.58402E-01 4.58381E-01 1.551E-04 1.218E+03 5.500E-04 3 6 4.56374E+08 4.58402E-01 4.58400E-01 1.231E-05 1.017E+03 3.943E-07 3 7 6.95572E+04 4.58402E-01 4.71503E-01 -1.596E-04 2.010E+00 2.200E+02 3 8 6.95572E+04 4.58402E-01 4.71503E-01 -1.596E-04 2.010E+00 2.200E+02 3 9 4.05008E+04 4.58402E-01 4.80902E-01 -9.445E-03 6.927E+01 3.841E+04 4 1 8.23543E+03 4.71519E-01 3.60867E-01 8.524E-04 1.271E+00 8.382E+04 4 2 1.47545E+04 4.71519E-01 4.09757E-01 3.053E-03 8.155E+00 9.353E+04 4 3 2.82327E+04 4.71519E-01 4.39242E-01 9.429E-03 4.820E+01 7.890E+04 4 4 2.82555E+04 4.71519E-01 4.39268E-01 1.450E-04 7.417E-01 1.211E+03 4 5 6.93612E+04 4.71519E-01 4.58381E-01 4.238E-02 5.323E+02 5.876E+04 4 6 6.94617E+04 4.71519E-01 4.58400E-01 1.702E-03 2.140E+01 2.353E+03 4 7 5.69405E+07 4.71519E-01 4.71503E-01 2.085E-04 2.150E+03 4.290E-04 4 8 5.69405E+07 4.71519E-01 4.71503E-01 2.085E-04 2.150E+03 4.290E-04 4 9 9.71190E+04 4.71519E-01 4.80902E-01 -4.636E-02 8.153E+02 3.279E+04 5 6 1 5 5 0 :isi,li,ipi,isj,lj,ipj 5 9 45 : ni,nj,ntrs/i,j,wl(A),Ei(Ry),Ej(Ry),f,S,A(/s) 1 1 1.86273E+04 4.09788E-01 3.60867E-01 1.620E+00 5.463E+03 2.635E+07 1 2 2.93728E+07 4.09788E-01 4.09757E-01 1.225E-03 6.517E+03 8.016E-03 1 3 3.09387E+04 4.09788E-01 4.39242E-01 -6.531E-03 4.324E+01 5.378E+04 1 4 3.09114E+04 4.09788E-01 4.39268E-01 -1.491E-04 9.863E-01 1.230E+03 1 5 1.87531E+04 4.09788E-01 4.58381E-01 -9.415E-04 3.778E+00 2.110E+04 1 6 1.87457E+04 4.09788E-01 4.58400E-01 -1.024E-05 4.109E-02 2.298E+02 1 7 1.47657E+04 4.09788E-01 4.71503E-01 -2.914E-04 9.207E-01 1.053E+04 1 8 1.47657E+04 4.09788E-01 4.71503E-01 -2.914E-04 9.207E-01 1.053E+04 1 9 1.28142E+04 4.09788E-01 4.80902E-01 -4.478E-07 1.228E-03 2.150E+01 2 1 1.16235E+04 4.39266E-01 3.60867E-01 1.955E-01 4.114E+02 8.165E+06 2 2 3.08810E+04 4.39266E-01 4.09757E-01 1.440E+00 8.052E+03 8.522E+06 2 3 3.79839E+07 4.39266E-01 4.39242E-01 2.836E-03 1.951E+04 1.109E-02 2 4 4.56374E+08 4.39266E-01 4.39268E-01 -4.638E-07 4.530E+01 1.755E-08 2 5 4.76729E+04 4.39266E-01 4.58381E-01 -1.772E-02 1.808E+02 6.147E+04 2 6 4.76255E+04 4.39266E-01 4.58400E-01 -2.669E-05 2.720E-01 9.276E+01 2 7 2.82677E+04 4.39266E-01 4.71503E-01 -2.822E-03 1.707E+01 2.783E+04 2 8 2.82677E+04 4.39266E-01 4.71503E-01 -2.822E-03 1.707E+01 2.783E+04 2 9 2.18865E+04 4.39266E-01 4.80902E-01 -1.669E-07 7.818E-04 2.747E+00 3 1 9.34326E+03 4.58399E-01 3.60867E-01 5.805E-02 9.821E+01 3.753E+06 3 2 1.87342E+04 4.58399E-01 4.09757E-01 2.571E-01 8.721E+02 4.134E+06 3 3 4.75684E+04 4.58399E-01 4.39242E-01 1.342E+00 1.156E+04 3.348E+06 3 4 4.76330E+04 4.58399E-01 4.39268E-01 1.865E-03 1.609E+01 4.640E+03 3 5 5.06243E+07 4.58399E-01 4.58381E-01 4.536E-03 4.158E+04 9.990E-03 3 6 8.99325E+08 4.58399E-01 4.58400E-01 -9.368E-07 1.803E+02 9.130E-09 3 7 6.95412E+04 4.58399E-01 4.71503E-01 -3.237E-02 4.817E+02 5.276E+04 3 8 6.95412E+04 4.58399E-01 4.71503E-01 -3.237E-02 4.817E+02 5.276E+04 3 9 4.04954E+04 4.58399E-01 4.80902E-01 -6.902E-07 5.981E-03 3.317E+00 4 1 8.23565E+03 4.71516E-01 3.60867E-01 2.515E-02 3.750E+01 2.092E+06 4 2 1.47552E+04 4.71516E-01 4.09757E-01 9.013E-02 2.408E+02 2.336E+06 4 3 2.82353E+04 4.71516E-01 4.39242E-01 2.793E-01 1.428E+03 1.977E+06 4 4 2.82581E+04 4.71516E-01 4.39268E-01 3.020E-03 1.545E+01 2.134E+04 4 5 6.93769E+04 4.71516E-01 4.58381E-01 1.267E+00 1.592E+04 1.486E+06 4 6 6.94775E+04 4.71516E-01 4.58400E-01 2.269E-02 2.855E+02 2.653E+04 4 7 6.99704E+07 4.71516E-01 4.71503E-01 6.171E-03 7.818E+04 7.114E-03 4 8 6.99704E+07 4.71516E-01 4.71503E-01 6.171E-03 7.818E+04 7.114E-03 4 9 9.70882E+04 4.71516E-01 4.80902E-01 -2.037E-04 4.232E+00 1.703E+02 5 1 7.59174E+03 4.80901E-01 3.60867E-01 3.233E-05 4.444E-02 3.166E+03 5 2 1.28088E+04 4.80901E-01 4.09757E-01 1.031E-04 2.391E-01 3.546E+03 5 3 2.18744E+04 4.80901E-01 4.39242E-01 1.177E-06 4.660E-03 1.388E+01 5 4 2.18881E+04 4.80901E-01 4.39268E-01 5.885E-02 2.333E+02 6.933E+05 5 5 4.04648E+04 4.80901E-01 4.58381E-01 5.815E-04 4.260E+00 2.004E+03 5 6 4.04990E+04 4.80901E-01 4.58400E-01 3.245E-01 2.380E+03 1.117E+06 5 7 9.69638E+04 4.80901E-01 4.71503E-01 8.864E-03 1.556E+02 5.321E+03 5 8 9.69638E+04 4.80901E-01 4.71503E-01 8.864E-03 1.556E+02 5.321E+03 5 9 9.26577E+08 4.80901E-01 4.80902E-01 -5.552E-05 1.101E+04 5.098E-07 0 0 0 0 0 0 :isi,li,ipi,isj,lj,ipj 4966 : total number of transitions, 3352 : total bound-bound