-------------------------- 786 ------------------------------------------- Ref. "Photoionization and electron-ion recombination of Cr~I", Sultana N. Nahar, J. Quant. Spec. Rad. Transfer 110, 2148-2161 (2009) -------------------------------------------------------------------------- Cr I : Oscillator strengths for dipole allowed transitions (LS multiplets) among septets and quintets Process : Cr I + h\nu <=> Cr I* NOTE: i) These results can be useful only for modeling applications, but may not be for diagnostic application. ii) These results were obtained during the calculations for the above paper. However, these were not reported because of not of high accuracy. iii) Because of large mixing of states, unique identifications for transitions may not be accurate. iv) For improved accuracy, the calculated energies have been replaced by the observed ones available in the NIST compilation to recompute f and A from the calculated S. File contents ------------- i) The spectroscopic energy file (bound states only) ii) The transitional parameters: f, S, A ------------------------------------------------------------------------ i) The spectroscopic energy file (bound states only) ----------------------------------------------------- NOTE: The following table is given for identification convenience. The energies are all calculated. However, the transition table (ii) has observed energies (instead of the calculated ones) whenever they were available. State E(Ry) 3d5 (6S ) 4s a7S -0.49331 3d5 (6S ) 5s b7S -0.15749 3d5 (6S ) 6s c7S -0.08000 3d5 (6S ) 7s d7S -0.04851 3d5 (6S ) 8s e7S -0.03255 3d5 (6S ) 9s f7S -0.02336 3d5 (6S )10s g7S -0.01757 3d5 (6S )11s h7S -0.01370 3d5 (6S )12s i7S -0.01098 3d5 (6S ) 4p z7Po -0.30592 3d44s (6D ) 4p y7Po -0.22138 3d5 (6S ) 5p x7Po -0.11230 3d5 (6S ) 6p w7Po -0.06238 3d5 (6S ) 7p v7Po -0.03982 3d5 (6S ) 8p u7Po -0.02765 3d5 (6S ) 9p t7Po -0.02032 3d5 (6S )10p s7Po -0.01558 3d5 (6S )11p r7Po -0.01237 3d44s (6D ) 5p q7Po -0.01125 3d5 (6S ) 4d a7D -0.10342 3d44s (6D ) 5s b7D -0.06772 3d5 (6S ) 5d c7D -0.05888 3d5 (6S ) 6d d7D -0.03813 3d5 (6S ) 7d e7D -0.02669 3d5 (6S ) 8d f7D -0.01972 3d5 (6S ) 9d g7D -0.01516 3d44s (6D ) 4d h7D -0.01202 3d44s (6D ) 4p z7Do -0.21402 3d44s (6D ) 5p y7Do -0.00921 3d44s (6D ) 4p z7Fo -0.23611 3d5 (6S ) 4f y7Fo -0.06279 3d5 (6S ) 5f x7Fo -0.04019 3d5 (6S ) 6f w7Fo -0.02790 3d5 (6S ) 7f v7Fo -0.02049 3d5 (6S ) 8f u7Fo -0.01569 3d5 (6S ) 9f t7Fo -0.01251 3d44s (6D ) 5p s7Fo -0.01225 3d5 (6S )10f r7Fo -0.01002 3d5 (6S ) 5g a7G -0.04002 3d5 (6S ) 6g b7G -0.02779 3d5 (6S ) 7g c7G -0.02042 3d5 (6S ) 8g d7G -0.01563 3d5 (6S ) 9g e7G -0.01235 3d44s (6D ) 4d f7G -0.01001 3d5 (6S ) 6h z7Ho -0.02778 3d5 (6S ) 7h y7Ho -0.02041 3d5 (6S ) 8h x7Ho -0.01563 3d5 (6S ) 9h w7Ho -0.01235 3d5 (6S )10h v7Ho -0.01000 3d5 (6S ) 7i a7I -0.02041 3d5 (6S ) 8i b7I -0.01563 3d5 (6S ) 9i c7I -0.01235 3d5 (6S )10i d7I -0.01000 3d5 (6S ) 8k z7Ko -0.01562 3d5 (6S ) 9k y7Ko -0.01235 3d5 (6S )10k x7Ko -0.01000 3d5 (6S ) 9l a7L -0.01235 3d5 (6S ) 4s a5S -0.42301 3d5 (6S ) 5s b5S -0.14826 3d5 (6S ) 6s c5S -0.07688 3d5 (6S ) 7s d5S -0.04708 3d5 (6S ) 8s e5S -0.03179 3d5 (6S ) 9s f5S -0.02290 3d5 (6S )10s g5S -0.01728 3d5 (6S )11s h5S -0.01350 3d5 (6S )12s i5S -0.01084 3d5 (4P ) 4p z5So -0.10165 3d5 (4P ) 4s a5P -0.27244 3d5 (6S ) 4p z5Po -0.27684 3d44s (6D ) 4p y5Po -0.20013 3d44s (4D ) 4p x5Po -0.11611 3d5 (6S ) 5p w5Po -0.08722 3d5 (4P ) 4p v5Po -0.06006 3d44s (4P ) 4p u5Po -0.05387 3d5 (4D ) 4p t5Po -0.04320 3d5 (6S ) 6p s5Po -0.03702 3d5 (6S ) 7p r5Po -0.02666 3d5 (6S ) 8p q5Po -0.01980 3d5 (6S ) 9p p5Po -0.01526 3d5 (6S )10p o5Po -0.01212 Eqv st (0S ) 0s a5D -0.37445 3d44s (6D ) 4s b5D -0.24073 Eqv st (0S ) 0s c5D -0.14272 3d5 (6S ) 4d d5D -0.09093 3d44s (6D ) 5s e5D -0.05470 3d5 (6S ) 5d f5D -0.04799 3d5 (6S ) 6d g5D -0.03584 3d5 (6S ) 7d h5D -0.02538 3d5 (6S ) 8d i5D -0.01890 3d5 (6S ) 9d j5D -0.01461 3d5 (6S )10d k5D -0.01163 3d44s (6D ) 4p z5Do -0.15813 3d44s (4D ) 4p y5Do -0.10213 3d44s (4F ) 4p x5Do -0.07544 3d5 (4D ) 4p w5Do -0.03117 3d44s (4P ) 4p v5Do -0.01538 3d5 (4F ) 4s a5F -0.17093 3d44s (6D ) 4p z5Fo -0.18271 3d44s (4D ) 4p y5Fo -0.09195 3d44s (6D ) 5p x5Fo -0.06285 3d5 (4G ) 4p w5Fo -0.05330 3d5 (4F ) 4p v5Fo -0.05081 3d5 (4D ) 4p u5Fo -0.04008 3d5 (6S ) 6f t5Fo -0.02785 3d5 (6S ) 7f s5Fo -0.02046 3d5 (6S ) 8f r5Fo -0.01566 3d5 (6S ) 9f q5Fo -0.01237 3d44s (4D ) 4p p5Fo -0.01152 3d5 (6S )10f o5Fo -0.01002 3d5 (4G ) 4s a5G -0.26802 3d5 (6S ) 5g b5G -0.04002 3d5 (6S ) 6g c5G -0.02779 3d5 (6S ) 7g d5G -0.02042 3d5 (6S ) 8g e5G -0.01563 3d5 (6S ) 9g f5G -0.01235 3d5 (6S )10g g5G -0.01001 3d5 (4G ) 4p z5Go -0.09296 3d44p (6Fo) 4d y5Go -0.01693 3d44s (4H ) 4p z5Ho -0.08537 3d44s (6D ) 4f y5Ho -0.03210 3d5 (6S ) 6h x5Ho -0.02778 3d5 (6S ) 7h w5Ho -0.02041 3d5 (6S ) 8h v5Ho -0.01563 3d5 (6S ) 9h u5Ho -0.01235 3d5 (6S )10h t5Ho -0.01000 3d5 (6S ) 7i a5I -0.02041 3d5 (6S ) 8i b5I -0.01563 3d5 (6S ) 9i c5I -0.01235 3d5 (6S )10i d5I -0.01000 3d44s (4H ) 4p z5Io -0.01775 3d5 (6S ) 8k z5Ko -0.01562 3d5 (6S ) 9k y5Ko -0.01235 3d5 (6S )10k x5Ko -0.01000 3d5 (6S ) 9l a5L -0.01235 ----------------------------------------------------------------------- ii) The transitional parameters: f, S, A ------------------------------------------- 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 where Line : (SLP)i - (SLP)j -> transitional symmetries with (2S+1), total L and pi (0 for even, 1 for odd) Line : ni nj ntrns -> number of states for symmetries i, j and the total number of transitions Lines : ntrns number of lines with - i,j,wl(A),Ei(Ry),Ej(Ry),f,S,A(/s) Note: i) For state identifications, check the energy file ii) 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) iii) 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. ----------------------------------------------------------------------- 24 23 7 0 0 7 1 1 :isi,li,ipi,isj,lj,ipj 9 10 90 : ni,nj,ntrs/i,j,wl(A),Ei(Ry),Ej(Ry),f,S,A(/s) 1 1 4.27063E+03 -4.97330E-01 -2.83950E-01 -5.817E-01 5.725E+01 7.091E+07 1 2 3.59092E+03 -4.97330E-01 -2.43560E-01 -5.458E-01 4.517E+01 9.411E+07 1 3 2.36631E+03 -4.97330E-01 -1.12230E-01 -7.972E-03 4.347E-01 3.165E+06 1 4 2.09598E+03 -4.97330E-01 -6.25600E-02 -7.400E-04 3.574E-02 3.745E+05 1 5 1.99182E+03 -4.97330E-01 -3.98247E-02 -1.203E-04 5.521E-03 6.741E+04 1 6 1.94052E+03 -4.97330E-01 -2.77300E-02 -1.373E-05 6.142E-04 8.109E+03 1 7 1.91053E+03 -4.97330E-01 -2.03600E-02 -1.974E-06 8.689E-05 1.202E+03 1 8 1.89185E+03 -4.97330E-01 -1.56500E-02 -6.717E-05 2.928E-03 4.172E+04 1 9 1.87909E+03 -4.97330E-01 -1.23800E-02 -1.317E-03 5.701E-02 8.290E+05 1 10 1.87473E+03 -4.97330E-01 -1.12502E-02 -1.920E-02 8.296E-01 1.215E+07 2 1 7.41833E+03 -1.61110E-01 -2.83950E-01 1.223E-01 6.271E+01 4.446E+07 2 2 1.10524E+04 -1.61110E-01 -2.43560E-01 1.793E-02 1.370E+01 2.937E+06 2 3 1.86429E+04 -1.61110E-01 -1.12230E-01 -1.515E+00 6.509E+02 9.692E+06 2 4 9.24675E+03 -1.61110E-01 -6.25600E-02 -2.713E-02 5.782E+00 7.056E+05 2 5 7.51342E+03 -1.61110E-01 -3.98247E-02 -4.731E-03 8.192E-01 1.863E+05 2 6 6.83211E+03 -1.61110E-01 -2.77300E-02 -1.509E-03 2.375E-01 7.186E+04 2 7 6.47437E+03 -1.61110E-01 -2.03600E-02 -6.107E-04 9.112E-02 3.239E+04 2 8 6.26473E+03 -1.61110E-01 -1.56500E-02 -2.346E-04 3.387E-02 1.329E+04 2 9 6.12699E+03 -1.61110E-01 -1.23800E-02 -4.889E-07 6.903E-05 2.895E+01 2 10 6.08080E+03 -1.61110E-01 -1.12502E-02 -3.367E-03 4.718E-01 2.025E+05 3 1 4.49875E+03 -8.13900E-02 -2.83950E-01 1.943E-02 6.042E+00 1.921E+07 3 2 5.61921E+03 -8.13900E-02 -2.43560E-01 1.623E-04 6.304E-02 1.028E+05 3 3 2.95482E+04 -8.13900E-02 -1.12230E-01 2.752E-01 5.622E+02 6.307E+06 3 4 4.83944E+04 -8.13900E-02 -6.25600E-02 -1.968E+00 2.195E+03 1.868E+06 3 5 2.19237E+04 -8.13900E-02 -3.98247E-02 -4.931E-02 2.491E+01 2.281E+05 3 6 1.69822E+04 -8.13900E-02 -2.77300E-02 -9.954E-03 3.896E+00 7.674E+04 3 7 1.49315E+04 -8.13900E-02 -2.03600E-02 -3.543E-03 1.219E+00 3.533E+04 3 8 1.38617E+04 -8.13900E-02 -1.56500E-02 -1.563E-03 4.992E-01 1.808E+04 3 9 1.32049E+04 -8.13900E-02 -1.23800E-02 -4.557E-04 1.387E-01 5.810E+03 3 10 1.29922E+04 -8.13900E-02 -1.12502E-02 -1.386E-03 4.149E-01 1.825E+04 4 1 3.88153E+03 -4.91800E-02 -2.83950E-01 7.101E-03 1.905E+00 9.431E+06 4 2 4.68807E+03 -4.91800E-02 -2.43560E-01 1.493E-06 4.840E-04 1.360E+03 4 3 1.44531E+04 -4.91800E-02 -1.12230E-01 2.500E-02 2.498E+01 2.394E+06 4 4 6.81067E+04 -4.91800E-02 -6.25600E-02 4.111E-01 1.936E+03 1.773E+06 4 5 9.74065E+04 -4.91800E-02 -3.98247E-02 -2.441E+00 5.480E+03 5.720E+05 4 6 4.24833E+04 -4.91800E-02 -2.77300E-02 -6.922E-02 6.777E+01 8.527E+04 4 7 3.16193E+04 -4.91800E-02 -2.03600E-02 -1.475E-02 1.075E+01 3.281E+04 4 8 2.71777E+04 -4.91800E-02 -1.56500E-02 -5.235E-03 3.279E+00 1.576E+04 4 9 2.47627E+04 -4.91800E-02 -1.23800E-02 -1.561E-03 8.908E-01 5.660E+03 4 10 2.40251E+04 -4.91800E-02 -1.12502E-02 -2.442E-03 1.352E+00 9.406E+03 5 1 3.62482E+03 -3.25533E-02 -2.83950E-01 3.494E-03 8.756E-01 5.321E+06 5 2 4.31866E+03 -3.25533E-02 -2.43560E-01 5.087E-06 1.519E-03 5.458E+03 5 3 1.14371E+04 -3.25533E-02 -1.12230E-01 8.203E-03 6.486E+00 1.255E+06 5 4 3.03688E+04 -3.25533E-02 -6.25600E-02 3.410E-02 7.159E+01 7.398E+05 5 5 1.25322E+05 -3.25533E-02 -3.98247E-02 5.629E-01 4.877E+03 7.171E+05 5 6 1.88930E+05 -3.25533E-02 -2.77300E-02 -2.640E+00 1.149E+04 1.644E+05 5 7 7.47351E+04 -3.25533E-02 -2.03600E-02 -8.539E-02 1.471E+02 3.399E+04 5 8 5.39106E+04 -3.25533E-02 -1.56500E-02 -1.827E-02 2.269E+01 1.397E+04 5 9 4.51719E+04 -3.25533E-02 -1.23800E-02 -4.555E-03 4.742E+00 4.963E+03 5 10 4.27763E+04 -3.25533E-02 -1.12502E-02 -5.159E-03 5.085E+00 6.268E+03 6 1 3.49688E+03 -2.33559E-02 -2.83950E-01 2.005E-03 4.848E-01 3.281E+06 6 2 4.13828E+03 -2.33559E-02 -2.43560E-01 1.313E-05 3.756E-03 1.534E+04 6 3 1.02535E+04 -2.33559E-02 -1.12230E-01 3.859E-03 2.736E+00 7.346E+05 6 4 2.32442E+04 -2.33559E-02 -6.25600E-02 1.088E-02 1.748E+01 4.029E+05 6 5 5.53329E+04 -2.33559E-02 -3.98247E-02 4.236E-02 1.620E+02 2.768E+05 6 6 2.08332E+05 -2.33559E-02 -2.77300E-02 7.108E-01 1.024E+04 3.277E+05 6 7 3.04172E+05 -2.33559E-02 -2.03600E-02 -3.061E+00 2.146E+04 7.356E+04 6 8 1.18256E+05 -2.33559E-02 -1.56500E-02 -9.960E-02 2.714E+02 1.583E+04 6 9 8.30244E+04 -2.33559E-02 -1.23800E-02 -1.572E-02 3.007E+01 5.069E+03 6 10 7.52759E+04 -2.33559E-02 -1.12502E-02 -1.225E-02 2.124E+01 4.805E+03 7 1 3.42096E+03 -1.75721E-02 -2.83950E-01 1.269E-03 3.001E-01 2.169E+06 7 2 4.03237E+03 -1.75721E-02 -2.43560E-01 1.753E-05 4.887E-03 2.157E+04 7 3 9.62695E+03 -1.75721E-02 -1.12230E-01 2.171E-03 1.445E+00 4.687E+05 7 4 2.02558E+04 -1.75721E-02 -6.25600E-02 5.120E-03 7.170E+00 2.497E+05 7 5 4.09510E+04 -1.75721E-02 -3.98247E-02 1.334E-02 3.778E+01 1.592E+05 7 6 8.97102E+04 -1.75721E-02 -2.77300E-02 5.117E-02 3.174E+02 1.272E+05 7 7 3.26865E+05 -1.75721E-02 -2.03600E-02 8.416E-01 1.902E+04 1.576E+05 7 8 4.74100E+05 -1.75721E-02 -1.56500E-02 -3.371E+00 3.683E+04 3.335E+04 7 9 1.75510E+05 -1.75721E-02 -1.23800E-02 -8.813E-02 3.565E+02 6.361E+03 7 10 1.44144E+05 -1.75721E-02 -1.12502E-02 -3.626E-02 1.204E+02 3.880E+03 8 1 3.37193E+03 -1.36991E-02 -2.83950E-01 8.583E-04 2.001E-01 1.511E+06 8 2 3.96443E+03 -1.36991E-02 -2.43560E-01 1.919E-05 5.261E-03 2.444E+04 8 3 9.24854E+03 -1.36991E-02 -1.12230E-01 1.358E-03 8.684E-01 3.177E+05 8 4 1.86502E+04 -1.36991E-02 -6.25600E-02 2.897E-03 3.735E+00 1.666E+05 8 5 3.48802E+04 -1.36991E-02 -3.98247E-02 6.262E-03 1.510E+01 1.030E+05 8 6 6.49472E+04 -1.36991E-02 -2.77300E-02 1.591E-02 7.144E+01 7.548E+04 8 7 1.36808E+05 -1.36991E-02 -2.03600E-02 5.957E-02 5.634E+02 6.368E+04 8 8 4.67101E+05 -1.36991E-02 -1.56500E-02 9.927E-01 3.206E+04 9.104E+04 8 9 6.90825E+05 -1.36991E-02 -1.23800E-02 -3.629E+00 5.778E+04 1.691E+04 8 10 3.72113E+05 -1.36991E-02 -1.12502E-02 -2.084E-01 1.787E+03 3.347E+03 9 1 3.33833E+03 -1.09788E-02 -2.83950E-01 6.100E-04 1.408E-01 1.095E+06 9 2 3.91806E+03 -1.09788E-02 -2.43560E-01 1.924E-05 5.213E-03 2.508E+04 9 3 9.00006E+03 -1.09788E-02 -1.12230E-01 9.127E-04 5.679E-01 2.255E+05 9 4 1.76667E+04 -1.09788E-02 -6.25600E-02 1.827E-03 2.232E+00 1.171E+05 9 5 3.15909E+04 -1.09788E-02 -3.98247E-02 3.551E-03 7.756E+00 7.121E+04 9 6 5.44001E+04 -1.09788E-02 -2.77300E-02 7.436E-03 2.797E+01 5.028E+04 9 7 9.71376E+04 -1.09788E-02 -2.03600E-02 1.839E-02 1.235E+02 3.899E+04 9 8 1.95082E+05 -1.09788E-02 -1.56500E-02 6.906E-02 9.314E+02 3.631E+04 9 9 6.50348E+05 -1.09788E-02 -1.23800E-02 9.962E-01 4.479E+04 4.713E+04 9 10 3.35766E+06 -1.09788E-02 -1.12502E-02 6.705E-02 1.556E+04 1.190E+02 7 0 1 7 1 0 :isi,li,ipi,isj,lj,ipj 7 7 49 : ni,nj,ntrs/i,j,wl(A),Ei(Ry),Ej(Ry),f,S,A(/s) 1 1 2.70087E+03 3.43595E-01 6.19737E-03 1.103E-01 2.060E+01 3.026E+08 1 2 3.12661E+03 3.43595E-01 5.21399E-02 6.529E-05 1.411E-02 1.336E+05 1 3 3.37218E+03 3.43595E-01 7.33639E-02 4.370E-06 1.019E-03 7.689E+03 1 4 3.52365E+03 3.43595E-01 8.49807E-02 3.223E-08 7.852E-06 5.195E+01 1 5 3.62243E+03 3.43595E-01 9.20328E-02 5.433E-07 1.361E-04 8.285E+02 1 6 3.68993E+03 3.43595E-01 9.66347E-02 1.605E-06 4.094E-04 2.358E+03 1 7 3.73789E+03 3.43595E-01 9.98034E-02 2.574E-06 6.652E-04 3.687E+03 2 1 2.36372E+03 3.91720E-01 6.19737E-03 1.162E-04 1.899E-02 4.161E+05 2 2 2.68351E+03 3.91720E-01 5.21399E-02 1.084E-01 2.011E+01 3.011E+08 2 3 2.86241E+03 3.91720E-01 7.33639E-02 4.657E-05 9.216E-03 1.137E+05 2 4 2.97082E+03 3.91720E-01 8.49807E-02 6.443E-06 1.323E-03 1.461E+04 2 5 3.04073E+03 3.91720E-01 9.20328E-02 1.170E-06 2.459E-04 2.531E+03 2 6 3.08815E+03 3.91720E-01 9.66347E-02 1.215E-07 2.595E-05 2.550E+02 2 7 3.12167E+03 3.91720E-01 9.98034E-02 7.981E-09 1.722E-06 1.639E+01 3 1 2.23820E+03 4.13341E-01 6.19737E-03 2.859E-05 4.424E-03 1.142E+05 3 2 2.52288E+03 4.13341E-01 5.21399E-02 1.024E-04 1.786E-02 3.219E+05 3 3 2.68038E+03 4.13341E-01 7.33639E-02 1.086E-01 2.012E+01 3.024E+08 3 4 2.77520E+03 4.13341E-01 8.49807E-02 5.243E-05 1.006E-02 1.362E+05 3 5 2.83612E+03 4.13341E-01 9.20328E-02 9.219E-06 1.808E-03 2.293E+04 3 6 2.87733E+03 4.13341E-01 9.66347E-02 2.580E-06 5.132E-04 6.236E+03 3 7 2.90640E+03 4.13341E-01 9.98034E-02 7.867E-07 1.581E-04 1.863E+03 4 1 2.17524E+03 4.25125E-01 6.19737E-03 1.293E-05 1.944E-03 5.467E+04 4 2 2.44317E+03 4.25125E-01 5.21399E-02 2.796E-05 4.723E-03 9.373E+04 4 3 2.59059E+03 4.25125E-01 7.33639E-02 9.771E-05 1.750E-02 2.913E+05 4 4 2.67906E+03 4.25125E-01 8.49807E-02 1.088E-01 2.014E+01 3.032E+08 4 5 2.73578E+03 4.25125E-01 9.20328E-02 5.733E-05 1.084E-02 1.533E+05 4 6 2.77411E+03 4.25125E-01 9.66347E-02 1.130E-05 2.166E-03 2.937E+04 4 7 2.80113E+03 4.25125E-01 9.98034E-02 3.725E-06 7.214E-04 9.500E+03 5 1 2.13880E+03 4.32263E-01 6.19737E-03 7.267E-06 1.074E-03 3.179E+04 5 2 2.39729E+03 4.32263E-01 5.21399E-02 1.300E-05 2.155E-03 4.528E+04 5 3 2.53906E+03 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-3.205E-02 3.981E+05 7.534E-02 7 6 4.53497E+07 9.95182E-02 9.95383E-02 -7.051E-07 8.105E+00 1.935E-06 8 1 5.90448E+04 9.95383E-02 8.41048E-02 8.237E-05 1.457E+00 1.862E+02 8 2 1.13000E+05 9.95383E-02 9.14740E-02 3.976E-04 1.346E+01 2.454E+02 8 3 2.77741E+05 9.95383E-02 9.62573E-02 2.195E-03 1.826E+02 2.242E+02 8 4 2.77885E+05 9.95383E-02 9.62590E-02 4.463E-03 3.715E+02 4.555E+02 8 5 6.08498E+08 9.95383E-02 9.95368E-02 1.522E-06 2.775E+02 3.240E-08 8 6 Infinity 9.95383E-02 9.95383E-02 NaN Infinity NaN 7 5 1 7 6 0 :isi,li,ipi,isj,lj,ipj 5 4 20 : ni,nj,ntrs/i,j,wl(A),Ei(Ry),Ej(Ry),f,S,A(/s) 1 1 1.23644E+05 -2.77783E-02 -2.04082E-02 -2.008E+00 6.293E+04 7.412E+05 1 2 7.49810E+04 -2.77783E-02 -1.56250E-02 -2.169E-01 4.122E+03 2.177E+05 1 3 5.90482E+04 -2.77783E-02 -1.23457E-02 -5.982E-02 8.954E+02 9.682E+04 1 4 5.12573E+04 -2.77783E-02 -1.00000E-02 -2.456E-02 3.191E+02 5.275E+04 2 1 1.51936E+09 -2.04088E-02 -2.04082E-02 -1.627E-04 6.267E+04 3.978E-07 2 2 1.90490E+05 -2.04088E-02 -1.56250E-02 -1.805E+00 8.717E+04 2.808E+05 2 3 1.13017E+05 -2.04088E-02 -1.23457E-02 -2.978E-01 8.531E+03 1.316E+05 2 4 8.75478E+04 -2.04088E-02 -1.00000E-02 -9.870E-02 2.190E+03 7.268E+04 3 1 1.90538E+05 -1.56256E-02 -2.04082E-02 5.495E-03 3.136E+02 1.193E+03 3 2 1.51936E+09 -1.56256E-02 -1.56250E-02 -4.245E-04 1.635E+05 1.038E-06 3 3 2.77834E+05 -1.56256E-02 -1.23457E-02 -1.684E+00 1.186E+05 1.232E+05 3 4 1.61986E+05 -1.56256E-02 -1.00000E-02 -3.329E-01 1.367E+04 7.159E+04 4 1 1.13032E+05 -1.23462E-02 -2.04082E-02 7.137E-04 2.417E+01 4.403E+02 4 2 2.77927E+05 -1.23462E-02 -1.56250E-02 1.518E-02 1.264E+03 1.549E+03 4 3 1.82210E+09 -1.23462E-02 -1.23457E-02 -7.347E-04 3.393E+05 1.249E-06 4 4 3.88401E+05 -1.23462E-02 -1.00000E-02 -1.610E+00 1.586E+05 6.025E+04 5 1 8.75562E+04 -1.00004E-02 -2.04082E-02 2.054E-04 5.387E+00 2.112E+02 5 2 1.62015E+05 -1.00004E-02 -1.56250E-02 2.223E-03 1.079E+02 6.676E+02 5 3 3.88550E+05 -1.00004E-02 -1.23457E-02 2.815E-02 3.277E+03 1.470E+03 5 4 2.27550E+09 -1.00004E-02 -1.00000E-02 -1.065E-03 6.144E+05 1.161E-06 7 6 0 7 6 1 :isi,li,ipi,isj,lj,ipj 4 6 24 : ni,nj,ntrs/i,j,wl(A),Ei(Ry),Ej(Ry),f,S,A(/s) 1 1 8.71917E+03 -2.04082E-02 8.41048E-02 -1.046E-12 2.732E-09 9.175E-05 1 2 8.14488E+03 -2.04082E-02 9.14740E-02 -1.912E-12 4.666E-09 1.922E-04 1 3 7.81094E+03 -2.04082E-02 9.62573E-02 -2.164E-12 5.063E-09 2.365E-04 1 4 7.81083E+03 -2.04082E-02 9.62590E-02 -3.529E-16 8.257E-13 3.858E-08 1 5 7.59737E+03 -2.04082E-02 9.95368E-02 -2.071E-12 4.715E-09 2.394E-04 1 6 7.59728E+03 -2.04082E-02 9.95383E-02 -7.419E-16 1.689E-12 8.573E-08 2 1 9.13736E+03 -1.56250E-02 8.41048E-02 -1.097E-12 3.002E-09 8.760E-05 2 2 8.50864E+03 -1.56250E-02 9.14740E-02 -2.241E-12 5.712E-09 2.064E-04 2 3 8.14487E+03 -1.56250E-02 9.62573E-02 -2.652E-12 6.470E-09 2.666E-04 2 4 8.14475E+03 -1.56250E-02 9.62590E-02 -4.488E-16 1.095E-12 4.512E-08 2 5 7.91293E+03 -1.56250E-02 9.95368E-02 -2.598E-12 6.158E-09 2.767E-04 2 6 7.91283E+03 -1.56250E-02 9.95383E-02 -9.589E-16 2.273E-12 1.021E-07 3 1 9.44803E+03 -1.23457E-02 8.41048E-02 -8.486E-13 2.402E-09 6.340E-05 3 2 8.77740E+03 -1.23457E-02 9.14740E-02 -1.942E-12 5.106E-09 1.681E-04 3 3 8.39081E+03 -1.23457E-02 9.62573E-02 -2.396E-12 6.022E-09 2.269E-04 3 4 8.39068E+03 -1.23457E-02 9.62590E-02 -4.201E-16 1.056E-12 3.980E-08 3 5 8.14486E+03 -1.23457E-02 9.95368E-02 -2.398E-12 5.851E-09 2.411E-04 3 6 8.14475E+03 -1.23457E-02 9.95383E-02 -9.102E-16 2.221E-12 9.152E-08 4 1 9.68354E+03 -1.00000E-02 8.41048E-02 -6.007E-13 1.743E-09 4.272E-05 4 2 8.98030E+03 -1.00000E-02 9.14740E-02 -1.537E-12 4.136E-09 1.271E-04 4 3 8.57604E+03 -1.00000E-02 9.62573E-02 -1.971E-12 5.065E-09 1.788E-04 4 4 8.57591E+03 -1.00000E-02 9.62590E-02 -3.570E-16 9.173E-13 3.238E-08 4 5 8.31928E+03 -1.00000E-02 9.95368E-02 -2.010E-12 5.009E-09 1.937E-04 4 6 8.31916E+03 -1.00000E-02 9.95383E-02 -7.827E-16 1.951E-12 7.544E-08 7 6 0 7 7 1 :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 1.90514E+05 -2.04082E-02 -1.56250E-02 -2.340E+00 1.335E+05 3.726E+05 1 2 1.13025E+05 -2.04082E-02 -1.23457E-02 -2.289E-01 7.751E+03 1.036E+05 1 3 8.75528E+04 -2.04082E-02 -1.00000E-02 -5.876E-02 1.541E+03 4.431E+04 2 1 Infinity -1.56250E-02 -1.56250E-02 NaN Infinity NaN 2 2 2.77885E+05 -1.56250E-02 -1.23457E-02 -2.123E+00 1.767E+05 1.589E+05 2 3 1.62003E+05 -1.56250E-02 -1.00000E-02 -3.253E-01 1.579E+04 7.164E+04 3 1 2.77885E+05 -1.23457E-02 -1.56250E-02 4.853E-03 4.662E+02 4.837E+02 3 2 Infinity -1.23457E-02 -1.23457E-02 NaN Infinity NaN 3 3 3.88484E+05 -1.23457E-02 -1.00000E-02 -1.986E+00 2.311E+05 7.606E+04 4 1 1.62003E+05 -1.00000E-02 -1.56250E-02 5.759E-04 3.225E+01 1.689E+02 4 2 3.88484E+05 -1.00000E-02 -1.23457E-02 1.352E-02 1.816E+03 6.896E+02 4 3 Infinity -1.00000E-02 -1.00000E-02 NaN Infinity NaN 7 6 1 7 7 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 1.23629E+05 8.41048E-02 9.14758E-02 -1.867E+00 6.915E+04 7.061E+05 1 2 7.49755E+04 8.41048E-02 9.62590E-02 -2.018E-01 4.532E+03 2.075E+05 1 3 5.90448E+04 8.41048E-02 9.95383E-02 -1.445E-06 2.556E-02 2.396E+00 1 4 5.90448E+04 8.41048E-02 9.95383E-02 -1.445E-06 2.556E-02 2.396E+00 1 5 5.12547E+04 8.41048E-02 1.01884E-01 -1.298E-06 1.993E-02 2.856E+00 2 1 5.05406E+08 9.14740E-02 9.14758E-02 -4.414E-04 6.684E+04 9.990E-06 2 2 1.90442E+05 9.14740E-02 9.62590E-02 -1.678E+00 9.574E+04 2.674E+05 2 3 1.13000E+05 9.14740E-02 9.95383E-02 -7.185E-06 2.432E-01 3.252E+00 2 4 1.13000E+05 9.14740E-02 9.95383E-02 -7.185E-06 2.432E-01 3.252E+00 2 5 8.75376E+04 9.14740E-02 1.01884E-01 -5.209E-06 1.366E-01 3.929E+00 3 1 1.90582E+05 9.62573E-02 9.14758E-02 5.306E-03 3.495E+02 1.124E+03 3 2 5.36439E+08 9.62573E-02 9.62590E-02 -1.160E-03 1.865E+05 2.331E-05 3 3 2.77741E+05 9.62573E-02 9.95383E-02 -3.919E-05 3.261E+00 2.936E+00 3 4 2.77741E+05 9.62573E-02 9.95383E-02 -3.919E-05 3.261E+00 2.936E+00 3 5 1.61954E+05 9.62573E-02 1.01884E-01 -1.693E-07 8.216E-03 3.732E-02 4 1 1.90514E+05 9.62590E-02 9.14758E-02 1.861E-03 1.226E+02 3.946E+02 4 2 Infinity 9.62590E-02 9.62590E-02 NaN Infinity NaN 4 3 2.77885E+05 9.62590E-02 9.95383E-02 -2.577E+00 2.145E+05 1.929E+05 4 4 2.77885E+05 9.62590E-02 9.95383E-02 -2.577E+00 2.145E+05 1.929E+05 4 5 1.62003E+05 9.62590E-02 1.01884E-01 -2.301E-01 1.117E+04 5.068E+04 5 1 1.13046E+05 9.95368E-02 9.14758E-02 6.913E-04 2.702E+01 4.163E+02 5 2 2.78012E+05 9.95368E-02 9.62590E-02 1.464E-02 1.407E+03 1.458E+03 5 3 6.08498E+08 9.95368E-02 9.95383E-02 -7.940E-09 1.447E+00 1.239E-10 5 4 6.08498E+08 9.95368E-02 9.95383E-02 -7.940E-09 1.447E+00 1.239E-10 5 5 3.88236E+05 9.95368E-02 1.01884E-01 -6.848E-05 7.965E+00 2.626E+00 6 1 1.13025E+05 9.95383E-02 9.14758E-02 1.788E-04 6.984E+00 1.077E+02 6 2 2.77885E+05 9.95383E-02 9.62590E-02 1.621E-03 1.557E+02 1.615E+02 6 3 Infinity 9.95383E-02 9.95383E-02 NaN Infinity NaN 6 4 Infinity 9.95383E-02 9.95383E-02 NaN Infinity NaN 6 5 3.88484E+05 9.95383E-02 1.01884E-01 -2.357E+00 2.743E+05 9.028E+04 7 7 0 7 7 1 :isi,li,ipi,isj,lj,ipj 5 3 15 : ni,nj,ntrs/i,j,wl(A),Ei(Ry),Ej(Ry),f,S,A(/s) 1 1 8.50850E+03 9.14758E-02 -1.56250E-02 3.778E-16 1.111E-12 3.481E-08 1 2 8.77725E+03 9.14758E-02 -1.23457E-02 5.712E-16 1.733E-12 4.946E-08 1 3 8.98014E+03 9.14758E-02 -1.00000E-02 6.023E-16 1.870E-12 4.981E-08 2 1 8.14475E+03 9.62590E-02 -1.56250E-02 7.304E-16 2.056E-12 7.344E-08 2 2 8.39068E+03 9.62590E-02 -1.23457E-02 1.142E-15 3.312E-12 1.082E-07 2 3 8.57591E+03 9.62590E-02 -1.00000E-02 1.242E-15 3.682E-12 1.126E-07 3 1 7.91283E+03 9.95383E-02 -1.56250E-02 1.198E-20 3.277E-17 1.276E-12 3 2 8.14475E+03 9.95383E-02 -1.23457E-02 1.939E-20 5.459E-17 1.950E-12 3 3 8.31916E+03 9.95383E-02 -1.00000E-02 2.172E-20 6.247E-17 2.094E-12 4 1 7.91283E+03 9.95383E-02 -1.56250E-02 1.198E-20 3.277E-17 1.276E-12 4 2 8.14475E+03 9.95383E-02 -1.23457E-02 1.939E-20 5.459E-17 1.950E-12 4 3 8.31916E+03 9.95383E-02 -1.00000E-02 2.172E-20 6.247E-17 2.094E-12 5 1 7.75487E+03 1.01884E-01 -1.56250E-02 2.851E-20 7.644E-17 3.162E-12 5 2 7.97750E+03 1.01884E-01 -1.23457E-02 4.651E-20 1.283E-16 4.875E-12 5 3 8.14475E+03 1.01884E-01 -1.00000E-02 5.245E-20 1.477E-16 5.273E-12 7 7 0 7 8 1 :isi,li,ipi,isj,lj,ipj 5 3 15 : ni,nj,ntrs/i,j,wl(A),Ei(Ry),Ej(Ry),f,S,A(/s) 1 1 1.90514E+05 9.14758E-02 9.62590E-02 -2.216E+00 1.459E+05 3.593E+05 1 2 1.13025E+05 9.14758E-02 9.95383E-02 -2.168E-01 8.469E+03 9.986E+04 1 3 8.75528E+04 9.14758E-02 1.01884E-01 -3.810E-06 1.153E-01 2.925E+00 2 1 Infinity 9.62590E-02 9.62590E-02 NaN Infinity NaN 2 2 2.77885E+05 9.62590E-02 9.95383E-02 -2.011E+00 1.932E+05 1.533E+05 2 3 1.62003E+05 9.62590E-02 1.01884E-01 -2.110E-05 1.181E+00 4.730E+00 3 1 2.77885E+05 9.95383E-02 9.62590E-02 1.276E-03 1.389E+02 1.249E+02 3 2 Infinity 9.95383E-02 9.95383E-02 NaN Infinity NaN 3 3 3.88484E+05 9.95383E-02 1.01884E-01 -2.921E+00 3.922E+05 1.139E+05 4 1 2.77885E+05 9.95383E-02 9.62590E-02 1.276E-03 1.389E+02 1.249E+02 4 2 Infinity 9.95383E-02 9.95383E-02 NaN Infinity NaN 4 3 3.88484E+05 9.95383E-02 1.01884E-01 -2.921E+00 3.922E+05 1.139E+05 5 1 1.62003E+05 1.01884E-01 9.62590E-02 1.124E-04 7.131E+00 3.236E+01 5 2 3.88484E+05 1.01884E-01 9.95383E-02 1.131E-03 1.721E+02 5.665E+01 5 3 Infinity 1.01884E-01 1.01884E-01 NaN Infinity NaN 7 7 1 7 8 0 :isi,li,ipi,isj,lj,ipj 3 1 3 : ni,nj,ntrs/i,j,wl(A),Ei(Ry),Ej(Ry),f,S,A(/s) 1 1 2.77885E+05 -1.56250E-02 -1.23457E-02 -2.672E+00 2.567E+05 2.037E+05 2 1 Infinity -1.23457E-02 -1.23457E-02 NaN Infinity NaN 3 1 3.88484E+05 -1.00000E-02 -1.23457E-02 4.351E-03 6.622E+02 2.179E+02 7 8 0 7 8 1 :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 8.39068E+03 -1.23457E-02 9.62590E-02 -3.513E-20 1.155E-16 3.328E-12 1 2 8.14475E+03 -1.23457E-02 9.95383E-02 -7.482E-20 2.387E-16 7.523E-12 1 3 7.97750E+03 -1.23457E-02 1.01884E-01 -1.745E-24 5.455E-21 1.829E-16 7 8 1 7 9 0 :isi,li,ipi,isj,lj,ipj 3 1 3 : ni,nj,ntrs/i,j,wl(A),Ei(Ry),Ej(Ry),f,S,A(/s) 1 1 2.77885E+05 9.62590E-02 9.95383E-02 -2.562E+00 2.789E+05 1.980E+05 2 1 Infinity 9.95383E-02 9.95383E-02 NaN Infinity NaN 3 1 3.88484E+05 1.01884E-01 9.95383E-02 8.925E-04 1.518E+02 4.408E+01 5 0 0 5 1 1 :isi,li,ipi,isj,lj,ipj 9 12 108 : ni,nj,ntrs/i,j,wl(A),Ei(Ry),Ej(Ry),f,S,A(/s) 1 1 5.20843E+03 -4.28130E-01 -2.53170E-01 -6.609E-01 5.666E+01 5.417E+07 1 2 4.53096E+03 -4.28130E-01 -2.27010E-01 -3.553E-02 2.650E+00 3.848E+06 1 3 2.99335E+03 -4.28130E-01 -1.23700E-01 -5.773E-02 2.845E+00 1.432E+07 1 4 2.73112E+03 -4.28130E-01 -9.44700E-02 -8.142E-02 3.660E+00 2.427E+07 1 5 2.54168E+03 -4.28130E-01 -6.96000E-02 -8.057E-03 3.371E-01 2.773E+06 1 6 2.67728E+03 -4.28130E-01 -8.77600E-02 -1.077E-01 4.748E+00 3.342E+07 1 7 2.37235E+03 -4.28130E-01 -4.40100E-02 -1.622E-02 6.335E-01 6.409E+06 1 8 2.32997E+03 -4.28130E-01 -3.70233E-02 -8.959E-03 3.436E-01 3.669E+06 1 9 2.26982E+03 -4.28130E-01 -2.66590E-02 -4.244E-04 1.586E-02 1.831E+05 1 10 2.23168E+03 -4.28130E-01 -1.97975E-02 -2.742E-06 1.007E-04 1.224E+03 1 11 2.20714E+03 -4.28130E-01 -1.52572E-02 -5.132E-05 1.864E-03 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9.62590E-02 -1.77467E-02 3.240E-13 5.542E-10 3.997E-05 7 2 7.49755E+04 9.62590E-02 8.41048E-02 3.029E-04 4.860E+00 4.248E+02 7 3 1.90442E+05 9.62590E-02 9.14740E-02 2.443E-03 9.956E+01 5.310E+02 7 4 5.36439E+08 9.62590E-02 9.62573E-02 7.918E-07 9.090E+01 2.169E-08 7 5 Infinity 9.62590E-02 9.62590E-02 NaN Infinity NaN 7 6 2.78012E+05 9.62590E-02 9.95368E-02 -5.945E-06 2.993E-01 4.341E-01 7 7 2.77885E+05 9.62590E-02 9.95383E-02 -2.022E+00 1.017E+05 1.478E+05 8 1 7.77101E+03 9.95182E-02 -1.77467E-02 6.458E-09 1.074E-05 8.430E-01 8 2 5.91217E+04 9.95182E-02 8.41048E-02 2.926E-04 3.702E+00 6.599E+02 8 3 1.13282E+05 9.95182E-02 9.14740E-02 2.828E-03 6.855E+01 1.737E+03 8 4 2.79452E+05 9.95182E-02 9.62573E-02 3.248E-02 1.942E+03 3.278E+03 8 5 2.79598E+05 9.95182E-02 9.62590E-02 2.974E-09 1.779E-04 2.999E-04 8 6 4.90017E+07 9.95182E-02 9.95368E-02 -3.200E-02 2.839E+05 7.521E-02 8 7 4.53497E+07 9.95182E-02 9.95383E-02 -7.089E-07 5.821E+00 1.945E-06 9 1 7.76968E+03 9.95383E-02 -1.77467E-02 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1.13032E+05 -1.23462E-02 -2.04082E-02 7.137E-04 1.726E+01 4.403E+02 6 2 2.77927E+05 -1.23462E-02 -1.56250E-02 1.518E-02 9.027E+02 1.549E+03 6 3 1.82210E+09 -1.23462E-02 -1.23457E-02 -7.324E-04 2.416E+05 1.245E-06 6 4 3.88401E+05 -1.23462E-02 -1.00000E-02 -1.610E+00 1.133E+05 6.025E+04 7 1 8.75562E+04 -1.00004E-02 -2.04082E-02 2.054E-04 3.848E+00 2.112E+02 7 2 1.62015E+05 -1.00004E-02 -1.56250E-02 2.223E-03 7.707E+01 6.676E+02 7 3 3.88550E+05 -1.00004E-02 -1.23457E-02 2.815E-02 2.341E+03 1.470E+03 7 4 2.27550E+09 -1.00004E-02 -1.00000E-02 -1.062E-03 4.376E+05 1.158E-06 5 6 0 5 6 1 :isi,li,ipi,isj,lj,ipj 4 7 28 : ni,nj,ntrs/i,j,wl(A),Ei(Ry),Ej(Ry),f,S,A(/s) 1 1 3.42389E+05 -2.04082E-02 -1.77467E-02 -2.475E-18 1.814E-13 1.408E-13 1 2 8.71917E+03 -2.04082E-02 8.41048E-02 -1.046E-12 1.951E-09 9.176E-05 1 3 8.14488E+03 -2.04082E-02 9.14740E-02 -1.912E-12 3.333E-09 1.923E-04 1 4 7.81094E+03 -2.04082E-02 9.62573E-02 -2.165E-12 3.618E-09 2.366E-04 1 5 7.81083E+03 -2.04082E-02 9.62590E-02 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9.62590E-02 -4.198E-16 7.538E-13 3.978E-08 3 6 8.14486E+03 -1.23457E-02 9.95368E-02 -2.397E-12 4.178E-09 2.410E-04 3 7 8.14475E+03 -1.23457E-02 9.95383E-02 -9.097E-16 1.585E-12 9.146E-08 4 1 1.17633E+05 -1.00000E-02 -1.77467E-02 1.099E-17 2.766E-13 5.297E-12 4 2 9.68354E+03 -1.00000E-02 8.41048E-02 -6.006E-13 1.245E-09 4.272E-05 4 3 8.98030E+03 -1.00000E-02 9.14740E-02 -1.538E-12 2.955E-09 1.272E-04 4 4 8.57604E+03 -1.00000E-02 9.62573E-02 -1.971E-12 3.617E-09 1.787E-04 4 5 8.57591E+03 -1.00000E-02 9.62590E-02 -3.568E-16 6.547E-13 3.236E-08 4 6 8.31928E+03 -1.00000E-02 9.95368E-02 -2.011E-12 3.580E-09 1.938E-04 4 7 8.31916E+03 -1.00000E-02 9.95383E-02 -7.823E-16 1.393E-12 7.539E-08 5 6 0 5 7 1 :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 1.90514E+05 -2.04082E-02 -1.56250E-02 -2.340E+00 9.540E+04 3.727E+05 1 2 1.13025E+05 -2.04082E-02 -1.23457E-02 -2.289E-01 5.537E+03 1.036E+05 1 3 8.75528E+04 -2.04082E-02 -1.00000E-02 -5.875E-02 1.101E+03 4.431E+04 2 1 Infinity -1.56250E-02 -1.56250E-02 NaN Infinity NaN 2 2 2.77885E+05 -1.56250E-02 -1.23457E-02 -2.123E+00 1.262E+05 1.589E+05 2 3 1.62003E+05 -1.56250E-02 -1.00000E-02 -3.254E-01 1.128E+04 7.167E+04 3 1 2.77885E+05 -1.23457E-02 -1.56250E-02 4.853E-03 3.330E+02 4.837E+02 3 2 Infinity -1.23457E-02 -1.23457E-02 NaN Infinity NaN 3 3 3.88484E+05 -1.23457E-02 -1.00000E-02 -1.986E+00 1.651E+05 7.607E+04 4 1 1.62003E+05 -1.00000E-02 -1.56250E-02 5.759E-04 2.303E+01 1.689E+02 4 2 3.88484E+05 -1.00000E-02 -1.23457E-02 1.353E-02 1.298E+03 6.901E+02 4 3 Infinity -1.00000E-02 -1.00000E-02 NaN Infinity NaN 5 6 1 5 7 0 :isi,li,ipi,isj,lj,ipj 7 5 35 : ni,nj,ntrs/i,j,wl(A),Ei(Ry),Ej(Ry),f,S,A(/s) 1 1 8.34322E+03 -1.77467E-02 9.14758E-02 -1.474E-12 2.632E-09 1.224E-04 1 2 7.99317E+03 -1.77467E-02 9.62590E-02 -1.609E-12 2.752E-09 1.456E-04 1 3 7.76968E+03 -1.77467E-02 9.95383E-02 -2.332E-17 3.878E-14 2.233E-09 1 4 7.76968E+03 -1.77467E-02 9.95383E-02 -2.332E-17 3.878E-14 2.233E-09 1 5 7.61733E+03 -1.77467E-02 1.01884E-01 -3.849E-17 6.274E-14 3.835E-09 2 1 1.23629E+05 8.41048E-02 9.14758E-02 -1.866E+00 4.937E+04 7.058E+05 2 2 7.49755E+04 8.41048E-02 9.62590E-02 -2.017E-01 3.236E+03 2.074E+05 2 3 5.90448E+04 8.41048E-02 9.95383E-02 -1.448E-06 1.829E-02 2.400E+00 2 4 5.90448E+04 8.41048E-02 9.95383E-02 -1.448E-06 1.829E-02 2.400E+00 2 5 5.12547E+04 8.41048E-02 1.01884E-01 -1.300E-06 1.425E-02 2.859E+00 3 1 5.05406E+08 9.14740E-02 9.14758E-02 -4.414E-04 4.774E+04 9.989E-06 3 2 1.90442E+05 9.14740E-02 9.62590E-02 -1.678E+00 6.840E+04 2.675E+05 3 3 1.13000E+05 9.14740E-02 9.95383E-02 -7.195E-06 1.740E-01 3.257E+00 3 4 1.13000E+05 9.14740E-02 9.95383E-02 -7.195E-06 1.740E-01 3.257E+00 3 5 8.75376E+04 9.14740E-02 1.01884E-01 -5.217E-06 9.772E-02 3.935E+00 4 1 1.90582E+05 9.62573E-02 9.14758E-02 5.305E-03 2.496E+02 1.124E+03 4 2 5.36439E+08 9.62573E-02 9.62590E-02 -1.160E-03 1.332E+05 2.331E-05 4 3 2.77741E+05 9.62573E-02 9.95383E-02 -3.918E-05 2.329E+00 2.936E+00 4 4 2.77741E+05 9.62573E-02 9.95383E-02 -3.918E-05 2.329E+00 2.936E+00 4 5 1.61954E+05 9.62573E-02 1.01884E-01 -1.711E-07 5.929E-03 3.770E-02 5 1 1.90514E+05 9.62590E-02 9.14758E-02 1.860E-03 8.749E+01 3.944E+02 5 2 Infinity 9.62590E-02 9.62590E-02 NaN Infinity NaN 5 3 2.77885E+05 9.62590E-02 9.95383E-02 -2.577E+00 1.532E+05 1.929E+05 5 4 2.77885E+05 9.62590E-02 9.95383E-02 -2.577E+00 1.532E+05 1.929E+05 5 5 1.62003E+05 9.62590E-02 1.01884E-01 -2.302E-01 7.979E+03 5.069E+04 6 1 1.13046E+05 9.95368E-02 9.14758E-02 6.913E-04 1.930E+01 4.163E+02 6 2 2.78012E+05 9.95368E-02 9.62590E-02 1.464E-02 1.005E+03 1.458E+03 6 3 6.08498E+08 9.95368E-02 9.95383E-02 -7.925E-09 1.032E+00 1.237E-10 6 4 6.08498E+08 9.95368E-02 9.95383E-02 -7.925E-09 1.032E+00 1.237E-10 6 5 3.88236E+05 9.95368E-02 1.01884E-01 -6.846E-05 5.688E+00 2.626E+00 7 1 1.13025E+05 9.95383E-02 9.14758E-02 1.788E-04 4.990E+00 1.077E+02 7 2 2.77885E+05 9.95383E-02 9.62590E-02 1.621E-03 1.112E+02 1.616E+02 7 3 Infinity 9.95383E-02 9.95383E-02 NaN Infinity NaN 7 4 Infinity 9.95383E-02 9.95383E-02 NaN Infinity NaN 7 5 3.88484E+05 9.95383E-02 1.01884E-01 -2.357E+00 1.959E+05 9.027E+04 5 7 0 5 7 1 :isi,li,ipi,isj,lj,ipj 5 3 15 : ni,nj,ntrs/i,j,wl(A),Ei(Ry),Ej(Ry),f,S,A(/s) 1 1 8.50850E+03 9.14758E-02 -1.56250E-02 3.777E-16 7.936E-13 3.480E-08 1 2 8.77725E+03 9.14758E-02 -1.23457E-02 5.712E-16 1.238E-12 4.945E-08 1 3 8.98014E+03 9.14758E-02 -1.00000E-02 6.023E-16 1.335E-12 4.981E-08 2 1 8.14475E+03 9.62590E-02 -1.56250E-02 7.304E-16 1.469E-12 7.344E-08 2 2 8.39068E+03 9.62590E-02 -1.23457E-02 1.142E-15 2.367E-12 1.082E-07 2 3 8.57591E+03 9.62590E-02 -1.00000E-02 1.242E-15 2.629E-12 1.126E-07 3 1 7.91283E+03 9.95383E-02 -1.56250E-02 1.195E-20 2.334E-17 1.273E-12 3 2 8.14475E+03 9.95383E-02 -1.23457E-02 1.933E-20 3.888E-17 1.944E-12 3 3 8.31916E+03 9.95383E-02 -1.00000E-02 2.167E-20 4.450E-17 2.088E-12 4 1 7.91283E+03 9.95383E-02 -1.56250E-02 1.195E-20 2.334E-17 1.273E-12 4 2 8.14475E+03 9.95383E-02 -1.23457E-02 1.933E-20 3.888E-17 1.944E-12 4 3 8.31916E+03 9.95383E-02 -1.00000E-02 2.167E-20 4.450E-17 2.088E-12 5 1 7.75487E+03 1.01884E-01 -1.56250E-02 2.843E-20 5.443E-17 3.153E-12 5 2 7.97750E+03 1.01884E-01 -1.23457E-02 4.637E-20 9.134E-17 4.860E-12 5 3 8.14475E+03 1.01884E-01 -1.00000E-02 5.229E-20 1.052E-16 5.258E-12 5 7 0 5 8 1 :isi,li,ipi,isj,lj,ipj 5 3 15 : ni,nj,ntrs/i,j,wl(A),Ei(Ry),Ej(Ry),f,S,A(/s) 1 1 1.90514E+05 9.14758E-02 9.62590E-02 -2.216E+00 1.042E+05 3.593E+05 1 2 1.13025E+05 9.14758E-02 9.95383E-02 -2.168E-01 6.050E+03 9.988E+04 1 3 8.75528E+04 9.14758E-02 1.01884E-01 -8.161E-07 1.764E-02 6.266E-01 2 1 Infinity 9.62590E-02 9.62590E-02 NaN Infinity NaN 2 2 2.77885E+05 9.62590E-02 9.95383E-02 -2.011E+00 1.380E+05 1.532E+05 2 3 1.62003E+05 9.62590E-02 1.01884E-01 -4.519E-06 1.807E-01 1.013E+00 3 1 2.77885E+05 9.95383E-02 9.62590E-02 1.275E-03 9.917E+01 1.248E+02 3 2 Infinity 9.95383E-02 9.95383E-02 NaN Infinity NaN 3 3 3.88484E+05 9.95383E-02 1.01884E-01 -2.921E+00 2.802E+05 1.139E+05 4 1 2.77885E+05 9.95383E-02 9.62590E-02 1.275E-03 9.917E+01 1.248E+02 4 2 Infinity 9.95383E-02 9.95383E-02 NaN Infinity NaN 4 3 3.88484E+05 9.95383E-02 1.01884E-01 -2.921E+00 2.802E+05 1.139E+05 5 1 1.62003E+05 1.01884E-01 9.62590E-02 1.123E-04 5.092E+00 3.235E+01 5 2 3.88484E+05 1.01884E-01 9.95383E-02 1.131E-03 1.229E+02 5.663E+01 5 3 Infinity 1.01884E-01 1.01884E-01 NaN Infinity NaN 5 7 1 5 8 0 :isi,li,ipi,isj,lj,ipj 3 1 3 : ni,nj,ntrs/i,j,wl(A),Ei(Ry),Ej(Ry),f,S,A(/s) 1 1 2.77885E+05 -1.56250E-02 -1.23457E-02 -2.672E+00 1.833E+05 2.036E+05 2 1 Infinity -1.23457E-02 -1.23457E-02 NaN Infinity NaN 3 1 3.88484E+05 -1.00000E-02 -1.23457E-02 4.351E-03 4.730E+02 2.179E+02 5 8 0 5 8 1 :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 8.39068E+03 -1.23457E-02 9.62590E-02 -3.513E-20 8.248E-17 3.328E-12 1 2 8.14475E+03 -1.23457E-02 9.95383E-02 -7.482E-20 1.705E-16 7.523E-12 1 3 7.97750E+03 -1.23457E-02 1.01884E-01 -8.469E-27 1.891E-23 8.876E-19 5 8 1 5 9 0 :isi,li,ipi,isj,lj,ipj 3 1 3 : ni,nj,ntrs/i,j,wl(A),Ei(Ry),Ej(Ry),f,S,A(/s) 1 1 2.77885E+05 9.62590E-02 9.95383E-02 -2.562E+00 1.992E+05 1.980E+05 2 1 Infinity 9.95383E-02 9.95383E-02 NaN Infinity NaN 3 1 3.88484E+05 1.01884E-01 9.95383E-02 9.098E-04 1.105E+02 4.494E+01 0 0 0 0 0 0 :isi,li,ipi,isj,lj,ipj 4436 : total number of transitions, 1035 : total bound-bound