1
   Mn  3p63d4              nconf=  1    z= 25    ncores= 5    nvales= 1    ion= 3    r(i)/x(i)=0.30278249      ca1=0.700

 tolstb=1.000   tolk-2=0.20000   tolend= 0.5E-08   thresh= 0.1E-11   kut= 0    exf=0.000   corrf=0.000      ca0= 0.500

0rcn mod 36  ihf1= 2        mesh= 641   idb= 641   rdb=1984.285   emx=   0.00   r(mesh)=1984.285     irel= 1     ib= 641
0hfr      energy = e(av)

 it  time   delta  idel kut itp  1s    2s    2p    3s    3p    3d
                                  2.    2.    6.    2.    6.    4.
  1  0.00  7.494172 183  0   1  0.400 0.000 0.000 0.000 0.000 0.000
  2  0.00  2.966251 203  0   1  0.400 0.000 0.000 0.000 0.000 0.000
  3  0.00 -0.712308 171  0   1  0.500 0.000 0.000 0.000 0.000 0.000
  4  0.00  0.329526 235  0   2  0.500 0.500 0.500 0.500 0.500 0.500
  5  0.00  0.203666 178  0   3  0.750 0.750 0.750 0.750 0.750 0.750
  6  0.00 -0.148654 183  0   4  0.750 1.000 1.000 0.500 0.500 0.500
  7  0.00  1.344924 178 -1   2  0.500 0.500 0.500 0.500 0.500 0.500
  8  0.00  0.115937 205 -1   3  0.750 0.750 0.750 0.750 0.750 0.500
  9  0.00  0.035510 216 -1   4  1.000 1.000 1.000 1.000 1.000 0.750
 10  0.00  0.029634 182 -1   5  1.000 1.000 1.000 1.000 1.000 1.000
 11  0.00 -0.021429 175 -1   6  1.000 0.667 0.667 0.667 0.667 1.000
 12  0.00  0.009718 175 -1   7  0.667 0.444 0.444 0.444 0.444 0.667
 13  0.00 -0.001204 175 -1   8  0.667 0.444 0.444 0.296 0.444 0.667
 14  0.00  0.000055 179 -1   9  0.667 0.444 0.444 0.444 0.444 0.444
 15  0.00  0.000022 208 -1  10  0.667 0.667 0.667 0.667 0.667 0.667
 16  0.00  0.000008 214 -1  11  0.444 1.000 1.000 1.000 1.000 1.000
 17  0.00  0.000005 174 -1  12  0.667 1.000 1.000 1.000 1.000 1.000
 18  0.00 -0.000004 174 -1  13  1.000 1.000 1.000 1.000 1.000 0.667
 19  0.00  0.000002 173 -1  14  0.667 0.667 0.667 0.667 0.667 0.444
 20  0.00  0.000000 174 -1  15  0.667 0.667 0.667 0.667 0.667 0.444
 21  0.00  0.000000 172 -1  16  0.667 0.667 0.667 0.444 0.444 0.444
 22  0.00  0.000000 216 -1  17  0.667 0.667 0.667 0.667 0.667 0.667


0    t(run)=  0.00,     t(job)=   0.00 seconds
1Mn  3p63d4            nconf=  1      z= 25     ion= 3     kut=-1      exf=0.650     corrf=0.000   ca1=0.700   ca0=0.500



                           rscore(i)           rsvale(i)           rsatom(i)           pnl( 1s)            pnl( 2s) 
    r (a0)    nc          1         6         1         6         1         6         1         6         1         6


    0.0000     0       0.00000   1.71511   0.00000   0.00000   0.00000   1.71511  0.000000  0.880708  0.000000  0.267977
    0.0076     1       5.54978  10.20224   0.00000   0.00000   5.54978  10.20224  1.584401  2.148309  0.480099  0.646661
    0.0151     2      14.88349  19.13602   0.00000   0.00000  14.88349  19.13603  2.594641  2.941361  0.773693  0.866169
    0.0227     3      22.72353  25.55540   0.00001   0.00002  22.72354  25.55542  3.203604  3.394309  0.928403  0.964201
    0.0303     4      27.63401  29.79621   0.00003   0.00012  27.63404  29.79633  3.524604  3.641026  0.976948  0.945053
    0.0454     5      29.94984  28.90326   0.00031   0.00069  29.95015  28.90395  3.614913  3.492416  0.853278  0.718120
    0.0606     6      27.33373  25.73026   0.00138   0.00250  27.33511  25.73276  3.307689  3.085795  0.552811  0.367925
    0.0757     7      24.40174  23.51002   0.00421   0.00668  24.40594  23.51671  2.844908  2.597988  0.171874 -0.028713
    0.0908     8      23.10860  23.65288   0.01011   0.02062  23.11871  23.67350  2.354070  1.897423 -0.228661 -0.611650
    0.1211     9      25.46381  27.80522   0.03732   0.06174  25.50113  27.86697  1.500808  1.170547 -0.955880 -1.250731
    0.1514    10      30.05621  31.79963   0.09521   0.13878  30.15142  31.93841  0.903209  0.691118 -1.492489 -1.681806
    0.1817    11      32.81672  33.04542   0.19321   0.25891  33.00993  33.30433  0.525348  0.397247 -1.821965 -1.917695
    0.2119    12      32.53155  29.74886   0.33598   0.52318  32.86753  30.27204  0.299127  0.168038 -1.974390 -1.992682
    0.2725    13      25.59041  21.09915   0.75023   1.00950  26.34064  22.10865  0.093599  0.051823 -1.918107 -1.785006
    0.3331    14      17.00107  13.68723   1.29154   1.58625  18.29262  15.27348  0.028456  0.015443 -1.619741 -1.441374
    0.3936    15      11.28595   9.75290   1.88369   2.17480  13.16964  11.92771  0.008302  0.004430 -1.262957 -1.092875
    0.4542    16       8.94947   8.83021   2.45181   2.93997  11.40128  11.77017  0.002350  0.000653 -0.936056 -0.670377
    0.5753    17       9.63986  10.50652   3.31625   3.57014  12.95611  14.07666  0.000179  0.000049 -0.468753 -0.322294
    0.6964    18      11.00307  11.01112   3.70654   3.73956  14.70961  14.75068  0.000013  0.000004 -0.219013 -0.147669
    0.8175    19      10.57941   9.82398   3.68750   3.56941  14.26691  13.39339  0.000001  0.000000 -0.099091 -0.066334
    0.9386    20       8.87074   6.77885   3.40304   2.98460  12.27378   9.76345  0.000000  0.000000 -0.044371 -0.019780
    1.1809    21       4.86092   3.33136   2.52455   2.07866   7.38547   5.41002  0.000000  0.000000 -0.008579 -0.003623
    1.4231    22       2.20795   1.42640   1.67610   1.32888   3.88405   2.75528  0.000000  0.000000 -0.001502 -0.000615
    1.6653    23       0.90311   0.56257   1.03890   0.80250   1.94201   1.36507  0.000000  0.000000 -0.000249 -0.000101
    1.9075    24       0.34577   0.12651   0.61343   0.34890   0.95920   0.47541  0.000000  0.000000 -0.000040 -0.000006
    2.3920    25       0.04477   0.01544   0.19250   0.10353   0.23727   0.11897  0.000000  0.000000 -0.000001  0.000000
    2.8764    26       0.00522   0.00173   0.05447   0.02812   0.05969   0.02985  0.000000  0.000000  0.000000  0.000000
    3.3609    27       0.00056   0.00018   0.01427   0.00714   0.01484   0.00732  0.000000  0.000000  0.000000  0.000000
    3.8453    28       0.00006   0.00001   0.00352   0.00083   0.00358   0.00083  0.000000  0.000000  0.000000  0.000000
    4.8142    29       0.00000   0.00000   0.00019   0.00004   0.00019   0.00004  0.000000  0.000000  0.000000  0.000000
    5.7831    30       0.00000   0.00000   0.00001   0.00000   0.00001   0.00000  0.000000  0.000000  0.000000  0.000000
    6.7520    31       0.00000   0.00000   0.00000   0.00000   0.00000   0.00000  0.000000  0.000000  0.000000  0.000000
    7.7210    32       0.00000   0.00000   0.00000   0.00000   0.00000   0.00000  0.000000  0.000000  0.000000  0.000000
    9.6588    33       0.00000   0.00000   0.00000   0.00000   0.00000   0.00000  0.000000  0.000000  0.000000  0.000000
   11.5966    34       0.00000   0.00000   0.00000   0.00000   0.00000   0.00000  0.000000  0.000000  0.000000  0.000000
   13.5344    35       0.00000   0.00000   0.00000   0.00000   0.00000   0.00000  0.000000  0.000000  0.000000  0.000000
   15.4722    36       0.00000   0.00000   0.00000   0.00000   0.00000   0.00000  0.000000  0.000000  0.000000  0.000000
   19.3478    37       0.00000   0.00000   0.00000   0.00000   0.00000   0.00000  0.000000  0.000000  0.000000  0.000000
   23.2234    38       0.00000   0.00000   0.00000   0.00000   0.00000   0.00000  0.000000  0.000000  0.000000  0.000000
   27.0990    39       0.00000   0.00000   0.00000   0.00000   0.00000   0.00000  0.000000  0.000000  0.000000  0.000000
   30.9746    40       0.00000   0.00000   0.00000   0.00000   0.00000   0.00000  0.000000  0.000000  0.000000  0.000000
1Mn  3p63d4            nconf=  1      z= 25     ion= 3     kut=-1      exf=0.650     corrf=0.000   ca1=0.700   ca0=0.500



                           pnl( 2p)            pnl( 3s)            pnl( 3p)            pnl( 3d) 
    r (a0)    nc          1         6         1         6         1         6         1         6         1         6


    0.0000     0      0.000000  0.006684  0.000000  0.099721  0.000000  0.002442  0.000000  0.000007
    0.0076     1      0.025313  0.054110  0.178571  0.240336  0.009248  0.019761  0.000055  0.000181
    0.0151     2      0.091531  0.136211  0.287229  0.321083  0.033410  0.049687  0.000415  0.000786
    0.0227     3      0.186939  0.242633  0.343494  0.355877  0.068138  0.088357  0.001316  0.002026
    0.0303     4      0.302334  0.430430  0.359498  0.344881  0.109979  0.156165  0.002933  0.005395
    0.0454     5      0.565473  0.702948  0.307433  0.253482  0.204484  0.253181  0.008789  0.013171
    0.0606     6      0.839343  0.971963  0.188165  0.115642  0.300869  0.346470  0.018571  0.024997
    0.0757     7      1.098780  1.218305  0.039267 -0.038274  0.389160  0.428322  0.032439  0.040877
    0.0908     8      1.329491  1.524365 -0.114857 -0.258872  0.463514  0.520905  0.050276  0.071790
    0.1211     9      1.680978  1.799882 -0.383695 -0.484543  0.560206  0.581548  0.096591  0.124239
    0.1514    10      1.883434  1.934995 -0.559549 -0.608778  0.585870  0.574592  0.154280  0.186267
    0.1817    11      1.958396  1.957583 -0.633525 -0.635833  0.549397  0.512079  0.219777  0.254415
    0.2119    12      1.936395  1.846969 -0.618148 -0.533279  0.464435  0.345031  0.289819  0.361657
    0.2725    13      1.714953  1.559659 -0.399442 -0.234944  0.203765  0.051109  0.433080  0.502369
    0.3331    14      1.395279  1.231723 -0.054883  0.128802 -0.104474 -0.256778  0.568231  0.629732
    0.3936    15      1.075517  0.930626  0.307451  0.474967 -0.401294 -0.534874  0.686238  0.737361
    0.4542    16      0.799141  0.578587  0.627297  0.878177 -0.655527 -0.854442  0.782913  0.857317
    0.5753    17      0.411169  0.288297  1.054579  1.162372 -0.996809 -1.087648  0.910529  0.944740
    0.6964    18      0.200220  0.138137  1.212494  1.217208 -1.134778 -1.146722  0.962618  0.966897
    0.8175    19      0.094897  0.065030  1.188114  1.135252 -1.131556 -1.096374  0.960143  0.944644
    0.9386    20      0.044505  0.020764  1.066830  0.907498 -1.047112 -0.924516  0.922367  0.863799
    1.1809    21      0.009501  0.004260  0.744478  0.595198 -0.790753 -0.661148  0.794441  0.720878
    1.4231    22      0.001884  0.000825  0.466803  0.360713 -0.543463 -0.440864  0.647321  0.576386
    1.6653    23      0.000359  0.000155  0.275459  0.208337 -0.353871 -0.281590  0.509632  0.447912
    1.9075    24      0.000067  0.000012  0.156312  0.086301 -0.222450 -0.136388  0.391609  0.295340
    2.3920    25      0.000002  0.000000  0.046684  0.024843 -0.082069 -0.048665  0.219374  0.160879
    2.8764    26      0.000000  0.000000  0.013015  0.006686 -0.028515 -0.016535  0.116696  0.083843
    3.3609    27      0.000000  0.000000  0.003382  0.001692 -0.009484 -0.005379  0.059736  0.042244
    3.8453    28      0.000000  0.000000  0.000840  0.000203 -0.003023 -0.000937  0.029676  0.014393
    4.8142    29      0.000000  0.000000  0.000048  0.000011 -0.000285 -0.000085  0.006845  0.003202
    5.7831    30      0.000000  0.000000  0.000003  0.000001 -0.000025 -0.000007  0.001477  0.000673
    6.7520    31      0.000000  0.000000  0.000000  0.000000 -0.000002 -0.000001  0.000304  0.000136
    7.7210    32      0.000000  0.000000  0.000000  0.000000  0.000000  0.000000  0.000060  0.000012
    9.6588    33      0.000000  0.000000  0.000000  0.000000  0.000000  0.000000  0.000002  0.000000
   11.5966    34      0.000000  0.000000  0.000000  0.000000  0.000000  0.000000  0.000000  0.000000
   13.5344    35      0.000000  0.000000  0.000000  0.000000  0.000000  0.000000  0.000000  0.000000
   15.4722    36      0.000000  0.000000  0.000000  0.000000  0.000000  0.000000  0.000000  0.000000
   19.3478    37      0.000000  0.000000  0.000000  0.000000  0.000000  0.000000  0.000000  0.000000
   23.2234    38      0.000000  0.000000  0.000000  0.000000  0.000000  0.000000  0.000000  0.000000
   27.0990    39      0.000000  0.000000  0.000000  0.000000  0.000000  0.000000  0.000000  0.000000
   30.9746    40      0.000000  0.000000  0.000000  0.000000  0.000000  0.000000  0.000000  0.000000
1Mn  3p63d4            nconf=  1      z= 25     ion= 3     kut=-1      exf=0.650     corrf=0.000   ca1=0.700   ca0=0.500






  nl   wnl         ee          az      (r-3)      (r-2)      (r-1)      (r+1)      (r+2)      (r+3)      (r+4)      (r+6)

  1s    2.    -488.06664    272.155  0.000E+00  1.272E+03  2.493E+01  6.087E-02  4.983E-03  5.138E-04  6.401E-05  1.577E-06
  2s    2.     -61.93590     82.947  0.000E+00  1.202E+02  5.339E+00  2.777E-01  9.100E-02  3.409E-02  1.445E-02  3.656E-03
  2p    6.     -52.64576    504.710  4.135E+02  3.720E+01  5.204E+00  2.464E-01  7.456E-02  2.686E-02  1.128E-02  2.947E-03
  3s    2.     -10.47439     30.873  0.000E+00  1.732E+01  1.662E+00  8.436E-01  8.180E-01  8.867E-01  1.067E+00  2.076E+00
  3p    6.      -7.66325    184.447  4.978E+01  5.102E+00  1.527E+00  8.910E-01  9.289E-01  1.100E+00  1.466E+00  3.621E+00
  3d    4.      -3.74630    139.293  4.695E+00  2.044E+00  1.240E+00  1.033E+00  1.324E+00  2.048E+00  3.731E+00  1.864E+01

       22.                                      3.082E+03  1.092E+02  1.332E+01  1.315E+01  1.680E+01  2.595E+01  1.005E+02

        1.                                      1.401E+02  4.964E+00  6.055E-01  5.975E-01  7.634E-01  1.179E+00  4.566E+00



            --------------------zeta---------------------
  nl   wnl    ----blume-watson----     -----(r*vi)-----     i (ryd)      eps s       evel       edar   evel+edar    erel
                 (ryd)      (cm-1)     (ryd)      (cm-1)
  1s    2.      0.00000       0.000   0.00000       0.000 -629.90327  -483.55811  -26.44263   21.77988   -4.663  -488.22086
  2s    2.      0.00000       0.000   0.00000       0.000 -154.23163   -60.55375   -3.06384    2.00469   -1.059   -61.61290
  2p    6.      0.48273   52973.239   0.51116   56093.617 -151.95721   -52.48639   -0.41626   -0.01029   -0.416   -52.90264
  3s    2.      0.00000       0.000   0.00000       0.000  -59.38197   -10.12287   -0.44212    0.27749   -0.165   -10.28750
  3p    6.      0.05802    6366.528   0.06104    6698.645  -55.71191    -7.76434   -0.06302   -0.00120   -0.063    -7.82736
  3d    4.      0.00338     371.355   0.00404     443.645  -47.62533    -3.97530   -0.00774   -0.00041   -0.008    -3.98303
1slater integrals


 Mn  3p63d4              nconf=  1      z= 25     ion= 3     kut=-1      exf=0.650     corrf=0.000   ca1=0.700   ca0=0.500


0                k                   fk                     frac         k                   gk                     frac
                 -   -----------------------------------   -----         -   -----------------------------------   -----


 ( 1s, 1s)       0   30.9112973 ryd  =  3392122.696 cm-1   1.000         0    0.0000000 ryd  =        0.000 cm-1   0.000
 
 ( 1s, 2s)       0    9.1668917 ryd  =  1005950.061 cm-1   1.000         0    0.8360794 ryd  =    91749.104 cm-1   0.365
 
 ( 1s, 2p)       0   10.1836051 ryd  =  1117521.452 cm-1   1.000         1    1.6826205 ryd  =   184646.255 cm-1   1.000
 
 ( 1s, 3s)       0    3.1179284 ryd  =   342153.084 cm-1   1.000         0    0.1073391 ryd  =    11779.108 cm-1   0.352
 
 ( 1s, 3p)       0    3.0256254 ryd  =   332024.003 cm-1   1.000         1    0.1921486 ryd  =    21085.872 cm-1   0.998
 
 ( 1s, 3d)       0    2.4798243 ryd  =   272129.249 cm-1   1.000         2    0.0033730 ryd  =      370.143 cm-1   1.000
 
 ( 2s, 2s)       0    6.5166885 ryd  =   715123.887 cm-1   1.000         0    0.0000000 ryd  =        0.000 cm-1   0.000
 
 ( 2s, 2p)       0    6.8691901 ryd  =   753806.459 cm-1   1.000         1    3.9850094 ryd  =   437304.222 cm-1   0.958
 
 ( 2s, 3s)       0    2.7934545 ryd  =   306546.192 cm-1   1.000         0    0.1822779 ryd  =    20002.689 cm-1   0.248
 
 ( 2s, 3p)       0    2.6950179 ryd  =   295744.018 cm-1   1.000         1    0.1582943 ryd  =    17370.790 cm-1   0.460
 
 ( 2s, 3d)       0    2.4381648 ryd  =   267557.648 cm-1   1.000         2    0.2950347 ryd  =    32376.318 cm-1   1.000
 
 ( 2p, 2p)       0    7.4117850 ryd  =   813349.370 cm-1   1.000         0    0.0000000 ryd  =        0.000 cm-1   0.000
 ( 2p, 2p)       2    3.4937377 ryd  =   383393.381 cm-1   1.000         0    0.0000000 ryd  =        0.000 cm-1   0.000
 
 ( 2p, 3s)       0    2.8322136 ryd  =   310799.510 cm-1   1.000         1    0.2262590 ryd  =    24829.050 cm-1   0.524
 
 ( 2p, 3p)       0    2.7438123 ryd  =   301098.584 cm-1   1.000         0    0.2047177 ryd  =    22465.168 cm-1   0.291
 ( 2p, 3p)       2    0.5355152 ryd  =    58766.000 cm-1   1.000         2    0.2144374 ryd  =    23531.783 cm-1   0.757
 
 ( 2p, 3d)       0    2.4476789 ryd  =   268601.700 cm-1   1.000         1    0.3256799 ryd  =    35739.240 cm-1   1.000
 ( 2p, 3d)       2    0.4547450 ryd  =    49902.496 cm-1   1.000         3    0.1848962 ryd  =    20290.017 cm-1   1.000
 
 ( 3s, 3s)       0    2.1348048 ryd  =   234267.739 cm-1   1.000         0    0.0000000 ryd  =        0.000 cm-1   0.000
 
 ( 3s, 3p)       0    2.0782584 ryd  =   228062.494 cm-1   1.000         1    1.3858294 ryd  =   152077.196 cm-1   0.997
 
 ( 3s, 3d)       0    1.9334030 ryd  =   212166.454 cm-1   1.000         2    0.8618654 ryd  =    94578.792 cm-1   0.967
 
 ( 3p, 3p)       0    2.0266472 ryd  =   222398.820 cm-1   1.000         0    0.0000000 ryd  =        0.000 cm-1   0.000
 ( 3p, 3p)       2    1.0227195 ryd  =   112230.492 cm-1   1.000         0    0.0000000 ryd  =        0.000 cm-1   0.000
 
 ( 3p, 3d)       0    1.8878499 ryd  =   207167.569 cm-1   1.000         1    1.1277269 ryd  =   123753.723 cm-1   0.958
 ( 3p, 3d)       2    0.9075128 ryd  =    99588.013 cm-1   1.000         3    0.6862846 ryd  =    75311.032 cm-1   0.990
 
 ( 3d, 3d)       0    1.7768159 ryd  =   194983.007 cm-1   1.000         0    0.0000000 ryd  =        0.000 cm-1   0.000
 ( 3d, 3d)       2    0.8388865 ryd  =    92057.146 cm-1   1.000         0    0.0000000 ryd  =        0.000 cm-1   0.000
 ( 3d, 3d)       4    0.5252858 ryd  =    57643.453 cm-1   1.000         0    0.0000000 ryd  =        0.000 cm-1   0.000
 
1  Mn  3p63d4              nconf=  1    z= 25    ncores= 5    nvales= 1    ion= 3    r(i)/x(i)=0.30278249      ca1=0.700

0tolstb=1.000   tolk-2=0.20000   tolend= 0.5E-08   thresh= 0.1E-11   kut=-1    exf=0.650   corrf=0.000      ca0= 0.500

0rcn mod 36  ihf1= 2          mesh= 641   idb= 641   rdb=1984.285   emx=   0.00   r(mesh)=1984.285     irel= 1


0               without correlation                with correlation
              -----------------------           -----------------------
  nl   wnl       eps fg      eps fgr    corr       eps fg      eps fgr     n*r     n*rc     ect     ec-----------------

  1s    2.    -488.06718   -488.06718-0.08246   -488.14965   -488.14965  0.1811  0.1810  -0.08205   0.00000-0.0821
  2s    2.     -61.93602    -61.93602-0.08101    -62.01702    -62.01702  0.5083  0.5079  -0.21924  -0.05849-0.0787
  2p    6.     -52.64584    -52.64584-0.08124    -52.72708    -52.72708  0.5513  0.5509  -0.70247  -0.07994-0.0803-0.0805-0.0809
  3s    2.     -10.47441    -10.47441-0.07743    -10.55184    -10.55184  1.2359  1.2314  -0.82972  -0.05516-0.0721
  3p    6.      -7.66331     -7.66331-0.07696     -7.74027     -7.74027  1.4449  1.4377  -1.27843  -0.07294-0.0741-0.0748-0.0760
  3d    4.      -3.74629     -3.74629-0.07510     -3.82139     -3.82139  2.0666  2.0462  -1.57664  -0.07388-0.0744-0.0748-0.0751

0                           ecorrt=  -1.73143 (old)              ect=  -1.57664 (new)     etotrl=      0.00000 +  0.00000 +  0.00000

      etot=  -2310.67254  -2310.67254          -2312.40396  -2312.40396  -2312.24917  -2312.24917  -2312.24917


 Mn  3p63d4             4  -2312.2492 0   92.0572 1   57.6435 1    0.3714 2


0    t(run)=  0.00,     t(job)=   0.00 seconds
