outputse+24

一套应用很广的光谱程序

         **************************************************************
         *    RCN input files for an HFR dielectronic-recombination   *
         *         calculation for Se XXV                             *
         *            (24-fold-ionized neon-like selenium)            *
         *    Radial wavefunctions include approximate                *
         *            relativistic corrections                        *
         **************************************************************

                      ***********************
                      *   Input file in36   *
                      ***********************

   -1


             ****************************************************
             *   Input file indiel:                             *
             *     The first configuration is the ion-core      *
             *       configuration to which a free electron     *
             *       will be added.                             *
             *     The third is the autoionizing (recombined)   *
             *       configuration.                             * 
             *     The second is the radiative-decay config.    *
             ****************************************************

2  -5    2   10  1.0    5.e-08    1.e-11-2   190   1.0  0.65  0.0 0.00   -6
   34   26Se+25 s2 p5         2s2 2p5     
   34   25Se+24 s2 p5 9i      2s2 2p5 9i             
   34   25Se+24 sp6 9i        2s  2p6 9i                            
   -1                                                              

                  *****************************
                  *   Monitor-screen output   *
                  *****************************                   

it  time   delta  idel kut itp  1s   2s   2p  
                                2.   2.   5.
 1  0.75  7.676686 112  0   1  0.40 0.00 0.00
 2  1.25  4.506158 113  0   1  0.40 0.00 0.00
 3  1.68  2.125476 118  0   1  0.50 0.00 0.00
 4  2.08  0.726287 124  0   1  0.62 0.00 0.00
 5  2.63  0.151054 127 -1   2  0.78 0.78 0.78
 6  3.15 -0.008178  89 -1   3  0.52 0.78 0.52
 7  3.63 -0.003905  89 -1   4  0.78 0.78 0.78
 8  4.08 -0.000538  88 -1   5  0.78 1.00 0.78
 9  4.52 -0.000080  88 -1   6  1.00 1.00 0.78
10  4.95 -0.000013  87 -1   7  1.00 1.00 0.78
11  5.37 -0.000002  86 -1   8  1.00 1.00 0.78
12  5.75  0.000000  85 -1   9  1.00 1.00 1.00
13  6.15  0.000000  88 -1  10  1.00 1.00 1.00
14  6.53  0.000000  92 -1  11  1.00 1.00 1.00
Eav & pars     2  -3925.0252 0232.7731 2
finished  Se+25 s2 p5     at   t(run)=  8.25,     t(job)=   8.25 seconds


it  time   delta  idel kut itp  1s   2s   2p   9i  
                                2.   1.   6.   1.
 1  0.58  2.000002 372  0   1  0.40 0.00 0.00 0.00
 2  1.32  1.200001 372  0   1  0.40 0.00 0.00 0.00
 3  1.75  0.600001 372  0   1  0.50 0.00 0.00 0.00
 4  2.73  0.225000 372 -1   2  0.62 0.62 0.62 0.62
 5  3.68 -0.001733  82 -1   3  0.62 0.94 0.94 0.42
 6  4.37 -0.001180 279 -1   4  0.94 0.94 0.94 0.63
 7  5.02 -0.000660 279 -1   5  0.94 0.94 0.94 0.94
 8  5.60 -0.000041 279 -1   6  0.94 0.94 0.94 0.94
 9  6.20 -0.000003 279 -1   7  0.94 0.94 0.94 0.94
10  6.78  0.000000 279 -1   8  0.94 0.94 0.94 0.94
11  7.37  0.000000 279 -1   9  0.94 0.94 0.94 0.94
Eav & pars     3  -3918.1048 0  0.0120 2  0.0001 4
finished  Se+24 sp6 9i    at   t(run)= 10.00,     t(job)=  18.25 seconds

              **********************************************************
              *  The above two calculations are made to obtain the     *
              *    kinetic energy of the captured electron, then the   *
              *    following new file in36 is constructed for an       *
              *    automatic second RCN calculation, using 99 for the  *
              *    principal quantum number of a free electron, and    *
              *    the kinetic energy 6.9204 Ry determined above.      *
              **********************************************************

2  -5    2   10  1.0    5.e-08    1.e-11-2   190   1.0  0.65  0.0 0.00   -6     
   34   25Se+24 s2 p5 9i      2s2 2p5 9i                            
   34   25Se+24 sp6 9i        2s  2p6 9i                            
   34   25Se+24a6.9204h          2s2  2p5 99h     6.9204            
   34   25Se+24a6.9204k          2s2  2p5 99k     6.9204            
   -1                                                             

              *****************************************
              *   Monitor-screen output (continued)   *
              *****************************************                  

it  time   delta  idel kut itp  1s   2s   2p   9i  
                                2.   2.   5.   1.
 1  1.20  6.956860 108  0   1  0.40 0.00 0.00 0.00
 2  2.32  4.073497 109  0   1  0.40 0.00 0.00 0.00
 3  3.45  1.904221 114  0   1  0.50 0.00 0.00 0.00
 4  4.48  0.646166 121  0   1  0.62 0.00 0.00 0.00
 5  6.02  0.128668 125 -1   2  0.78 0.78 0.78 0.78
 6  7.47 -0.007808  89 -1   3  0.52 0.52 0.52 0.52
 7  8.55 -0.004585  91 -1   4  0.78 0.78 0.78 0.78
 8  9.57 -0.000778  85 -1   5  0.78 0.78 0.78 1.00
 9 10.58 -0.000106  78 -1   6  0.78 0.78 0.78 1.00
10 11.57 -0.000017  61 -1   7  0.52 1.00 0.78 1.00
11 12.52  0.000000  90 -1   8  0.78 1.00 0.78 0.67
12 13.43  0.000000  87 -1   9  0.78 1.00 1.00 1.00
13 14.35  0.000000  75 -1  10  0.78 1.00 1.00 1.00
Eav & pars     6  -3932.7436 0232.7731 2  0.0120 2  0.5703 3  0.0001 4
  0.0001 4
finished  Se+24 s2 p5 9i  at   t(run)= 17.63,     t(job)=  17.63 seconds


it  time   delta  idel kut itp  1s   2s   2p   9i  
                                2.   1.   6.   1.
 1  0.82  0.067759  91  0   1  0.40 0.00 0.00 0.00
 2  1.83  0.116740  87  0   1  0.40 0.00 0.00 0.00
 3  3.07  0.056327  88 -1   2  0.50 0.50 0.50 0.50
 4  4.18 -0.007341  78 -1   3  0.75 0.75 0.75 0.75
 5  5.23 -0.001129  83 -1   4  0.75 1.00 1.00 1.00
 6  6.23  0.000142  91 -1   5  1.00 1.00 1.00 1.00
 7  7.22 -0.000020  96 -1   6  1.00 1.00 1.00 1.00
 8  8.17  0.000002  98 -1   7  0.67 1.00 1.00 0.67
 9  9.10  0.000000  56 -1   8  1.00 1.00 1.00 1.00
10 10.03  0.000000  88 -1   9  0.67 1.00 1.00 0.67
11 10.95  0.000000  99 -1  10  0.67 1.00 1.00 0.67
Eav & pars     3  -3918.1048 0  0.0120 2  0.0001 4
finished  Se+24 sp6 9i    at   t(run)= 14.23,     t(job)=  31.87 seconds


it  time   delta  idel kut itp  1s   2s   2p  99h  
                                2.   2.   5.   1.
 1  0.67  1.573332 218  0   1  0.40 0.00 0.00 0.00
 2  1.30  0.943982 218  0   1  0.40 0.00 0.00 0.00
 3  2.47  0.472029 218 -1   2  0.50 0.50 0.50 1.00
 4  3.63 -0.010638  86 -1   3  0.75 0.33 0.33 1.00
 5  4.73 -0.009338  90 -1   4  0.75 0.50 0.50 1.00
 6  5.83 -0.006180  90 -1   5  0.50 0.75 0.75 1.00
 7  6.87 -0.000895  92 -1   6  0.75 0.75 0.75 1.00
 8  7.90 -0.000172  90 -1   7  1.00 1.00 0.75 1.00
 9  8.93 -0.000027  84 -1   8  1.00 1.00 0.75 1.00
10  9.95 -0.000007  88 -1   9  1.00 1.00 1.00 1.00
11 10.93  0.000001  93 -1  10  1.00 1.00 1.00 1.00
12 11.90  0.000000  99 -1  11  1.00 1.00 1.00 1.00
13 12.87  0.000000 106 -1  12  1.00 1.00 1.00 1.00
Eav & pars     6  -3918.1048 0232.7731 2  0.0000 2  0.0000 3  0.0000 4
  0.0000 4
finished  Se+24a6.9204h   at   t(run)= 15.63,     t(job)=  47.50 seconds


it  time   delta  idel kut itp  1s   2s   2p  99k  
                                2.   2.   5.   1.
 1  1.17**********   1 -1   2  0.40 0.40 0.40 1.00
 2  2.37  0.016018  77 -1   2  0.40 0.40 0.40 1.00
 3  3.47  0.011961  86 -1   3  0.40 0.60 0.60 1.00
 4  4.57  0.005186  85 -1   4  0.27 0.90 0.90 1.00
 5  5.65  0.000943  36 -1   5  0.40 0.90 0.90 1.00
 6  6.70  0.000392  31 -1   6  0.60 0.90 0.90 1.00
 7  7.77  0.000189  33 -1   7  0.90 1.00 0.90 1.00
 8  8.77 -0.000051  43 -1   8  1.00 1.00 1.00 1.00
 9  9.75  0.000007  44 -1   9  1.00 0.67 1.00 1.00
10 10.75 -0.000001  43 -1  10  1.00 0.67 0.67 1.00
11 11.73  0.000000  35 -1  11  1.00 1.00 1.00 1.00
12 12.70  0.000000  52 -1  12  0.67 1.00 1.00 1.00
Eav & pars     6  -3918.1048 0232.7731 2  0.0000 2  0.0000 3  0.0000 4
  0.0000 4
finished  Se+24a6.9204k   at   t(run)= 15.43,     t(job)=  62.93 seconds

STOP (normal exit)


                *****************************
                *    RCN2 input file in2    *
                *****************************

g5inp     000  0.000          00                009099909090 0.00     02229
        -1


         *********************************************************
         *    RCG input file ing11 = RCN2 output file out2ing    *
         *********************************************************

    1    03 1 13 3 30         00                00 1000.0000 0.00     02-6 0 0
s 2  p 5  i 1  s 0  s 0  s 0  s 0  s 0  Se+24 s2 p5 9i      -431568.699   0.0000
s 1  p 6  i 1  s 0  s 0  s 0  s 0  s 0  Se+24 sp6 9i        -429962.282   0.0000
s 2  p 5  h 1  s 0  s 0  s 0  s 0  s 0  Se+24a6.9204h       -429962.276   6.9204
s 2  p 5  k 1  s 0  s 0  s 0  s 0  s 0  Se+24a6.9204k       -429962.276   6.9204
Se+24 s2 p5 9i     6        00  23277302      1192     51323        04hr90999090
        04
Se+24 sp6 9i       3 160641690      1192        14        00        00hr90999090
Se+24a6.9204h      6-950000000  23277302        02        03        04hr90999090
        04
Se+24a6.9204k      6-850000000  23277302        02        03        04hr90999090
        04
sp6 9i   -6.9204h  2  -0.12475  -0.00085   0.00005   0.00005   0.00005hr90999090
sp6 9i   -6.9204k  2  -1.33735   0.00005   0.00005   0.00005   0.00005hr90999090
6.9204h  -6.9204k  2   0.00005   0.00005   0.00005   0.00005   0.00005hr90999090
Se+24 s2 p5 9i      Se+24 sp6 9i           0.17149( 2s//r1// 2p)-0.990hr -90 -95
Se+24 s2 p5 9i      Se+24a6.9204h          0.00000( 9i//r1//99h)0.0011hr   0   0
Se+24 s2 p5 9i      Se+24a6.9204k          0.00000( 9i//r1//99k)0.0110hr   3   9
                    -99999999.
   -1

          *********************************************************************
          *    In the above file, the two continuum configurations have       *
          *      had Eav set to large negatives values so that their          *
          *      levels can be recognized as continuum states by RCG.         *
          *    Also, CI between continuum states and radiative-decay          *
          *      matrix elements for continuum states have been set to zero.  *
          *********************************************************************


               ***********************************
               *    RCG Monitor-screen output    *
               ***********************************

rcg mod 11    ls coupling    nsconf= 3 1 1    3 3  3    iabg=0   iv=0   119 000000000 99.0 99.0  print=00000 500 2 0 0 0

finished lncuv at  0.004 min
finished plev at   0.004 min
finished pfgd at   0.007 min
finished calcfc at 0.018 min
finished plev at   0.018 min
finished pfgd at   0.022 min
finished prk at    0.028 min
finished calcfc at 0.046 min
finished mupole matrix for  j=4.0  and jp=3.0  at time= 0.048 min,     matrix size=   1 by    1
finished mupole matrix for  j=4.0  and jp=4.0  at time= 0.049 min,     matrix size=   1 by    3
finished mupole matrix for  j=4.0  and jp=5.0  at time= 0.050 min,     matrix size=   1 by    6
finished mupole matrix for  j=5.0  and jp=4.0  at time= 0.050 min,     matrix size=   3 by    3
finished mupole matrix for  j=5.0  and jp=5.0  at time= 0.052 min,     matrix size=   3 by    6
finished mupole matrix for  j=5.0  and jp=6.0  at time= 0.054 min,     matrix size=   3 by    8
finished mupole matrix for  j=6.0  and jp=5.0  at time= 0.057 min,     matrix size=   4 by    6
finished mupole matrix for  j=6.0  and jp=6.0  at time= 0.060 min,     matrix size=   4 by    8
finished mupole matrix for  j=6.0  and jp=7.0  at time= 0.062 min,     matrix size=   4 by    6
finished mupole matrix for  j=7.0  and jp=6.0  at time= 0.065 min,     matrix size=   3 by    8
finished mupole matrix for  j=7.0  and jp=7.0  at time= 0.067 min,     matrix size=   3 by    6
finished mupole matrix for  j=7.0  and jp=8.0  at time= 0.068 min,     matrix size=   3 by    3
finished mupole matrix for  j=8.0  and jp=7.0  at time= 0.069 min,     matrix size=   1 by    6
finished mupole matrix for  j=8.0  and jp=8.0  at time= 0.069 min,     matrix size=   1 by    3
finished mupole matrix for  j=8.0  and jp=9.0  at time= 0.069 min,     matrix size=   1 by    1
finished energy for  j=4.0  at time= 0.075 min,     matrix size=   1
finished energy for  j=5.0  at time= 0.076 min,     matrix size=   3
finished energy for  j=6.0  at time= 0.078 min,     matrix size=   4
finished energy for  j=7.0  at time= 0.079 min,     matrix size=   3
finished energy for  j=8.0  at time= 0.079 min,     matrix size=   1
finished energy for  j=3.0  at time= 0.083 min,     matrix size=   1
finished energy for  j=4.0  at time= 0.084 min,     matrix size=   3
finished energy for  j=5.0  at time= 0.086 min,     matrix size=   6
finished energy for  j=6.0  at time= 0.090 min,     matrix size=   8
finished energy for  j=7.0  at time= 0.093 min,     matrix size=   6
finished energy for  j=8.0  at time= 0.095 min,     matrix size=   3
finished energy for  j=9.0  at time= 0.096 min,     matrix size=   1
finished lower-level sort at time=   0.102 min
finished upper-level sort at time=   0.106 min


time=  0.106 min  (abs time=  56.460)     for pmax=  0.17149,          52.0000   52.00000
                                                        sums2,sumgf=   52.0000   52.00000   7.4620
                                                               sumf=                        0.5740         sumgar= 1.3238E+13
                                                        s2min=                    0.00000

                                0 lines omitted, with max s2=                     0.00000

                                0 lines omitted, with lambda.gt.   500000.0000
                                0 lines omitted, with lambda.lt.        0.0010
                                0 lines omitted, insuff storage 
                                0 lines omitted, conf serial nos .gt.  50,  50

STOP (normal exit)

                   ********************************
                   *    RCG output file outg11    *
                   ********************************

1   -------------------------------------------------------------------

0rcg mod 11    ls coupling    nsconf= 3 1 1    3 3  3    iabg=0   iv=0   119 000000000 99.0 99.0  print=00000 500 2 0 0 0

0  k   j           configuration                                   n   par   i   terms of li(ni) -----       (e unit =  1000.0 cm-1)
 
   1   1       s 2   p 5   i 1   s 0   s 0   s 0   s 0   s 0       8   -1        all        Se+24 s2 p5 9i      -431568.699   0.0000
 
   2   1       s 1   p 6   i 1   s 0   s 0   s 0   s 0   s 0       8    1        all        Se+24 sp6 9i        -429962.282   0.0000
   2   2       s 2   p 5   h 1   s 0   s 0   s 0   s 0   s 0       8    1        all        Se+24a6.9204h       -429962.276   6.9204
   2   3       s 2   p 5   k 1   s 0   s 0   s 0   s 0   s 0       8    1        all        Se+24a6.9204k       -429962.276   6.9204





0finished lncuv at  0.004 min



 maximum subscript values, parity number 1

 nalsp(m,i), pscrl(m,i),   klsc= 420   m=notott=       6
 ntrmk(k), lf(k),          klsc= 420   k=ndifft=       6
 nalsjp(m,i), pj(m,i),     kjp=  150   m=nototj(i)=    1    2    2    1    1    1    1    1
 njk(k,i),                 kjk=  110   k=ndiffj(i)=    1    2    2    1    1    1    1    1
 fl(m,i),s(m,i),           kls2=  98   mmax=notsx=     1

0ntottj=     0     6