1
   Mn I  4s23d5            nconf=  1    z= 25    ncores= 6    nvales= 1    ion= 0    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    4s    3d
                                  2.    2.    6.    2.    4.    2.    7.
  1  0.00  3.895315 201  0   1  0.400 0.000 0.000 0.000 0.000 0.000 0.000
  2  0.00 -8.738492 229  0   1  0.400 0.000 0.000 0.000 0.000 0.000 0.000
  3  0.00  5.373705 207  0   1  0.320 0.000 0.000 0.000 0.000 0.000 0.000
  4  0.00  2.987743 224  0   1  0.256 0.000 0.000 0.000 0.000 0.000 0.000
  5  0.00  1.001444 268  0   1  0.320 0.000 0.000 0.000 0.000 0.000 0.000
  6  0.00  0.436353 275  0   1  0.400 0.000 0.000 0.000 0.000 0.000 0.000
  7  0.00  0.165652 292  0   2  0.500 0.500 0.500 0.500 0.500 0.500 0.500
  8  0.00  2.106599 186 -1   2  0.500 0.500 0.500 0.500 0.500 0.500 0.500
  9  0.00 -0.724502 177 -1   3  0.750 0.750 0.750 0.750 0.500 0.750 0.750
 10  0.00  0.922558 183 -1   4  1.000 1.000 1.000 1.000 0.750 1.000 1.000
 11  0.00 -1.573055 184 -1   5  0.667 0.667 0.667 0.667 0.750 0.667 1.000
 12  0.00  1.589986 182 -1   6  0.444 0.444 0.444 0.444 0.640 0.444 0.667
 13  0.00 -0.756058 180 -1   7  0.296 0.296 0.296 0.296 0.640 0.296 0.444
 14  0.00  0.159788 184 -1   8  0.198 0.198 0.198 0.198 0.427 0.198 0.296
 15  0.00  0.041707 196 -1   9  0.198 0.198 0.198 0.296 0.512 0.296 0.444
 16  0.00 -0.010821 170 -1  10  0.296 0.198 0.198 0.444 0.512 0.444 0.512
 17  0.00 -0.004039 255 -1  11  0.198 0.296 0.296 0.512 0.512 0.512 0.512
 18  0.00 -0.002753 251 -1  12  0.296 0.444 0.444 0.512 0.512 0.512 0.512
 19  0.00 -0.001134 253 -1  13  0.444 0.512 0.512 0.512 0.512 0.512 0.512
 20  0.00 -0.000654 251 -1  14  0.512 0.512 0.512 0.512 0.512 0.512 0.512
 21  0.00 -0.000288 253 -1  15  0.512 0.512 0.512 0.512 0.512 0.512 0.512
 22  0.00 -0.000154 251 -1  16  0.512 0.512 0.512 0.512 0.512 0.512 0.512
 23  0.00 -0.000071 252 -1  17  0.512 0.512 0.512 0.512 0.512 0.512 0.512
 24  0.00 -0.000037 251 -1  18  0.512 0.512 0.512 0.512 0.512 0.512 0.512
 25  0.00 -0.000017 252 -1  19  0.512 0.512 0.512 0.512 0.512 0.512 0.512
 26  0.00 -0.000009 252 -1  20  0.512 0.512 0.512 0.512 0.512 0.512 0.512
 27  0.00 -0.000004 252 -1  21  0.512 0.512 0.512 0.512 0.512 0.512 0.512
 28  0.00 -0.000002 252 -1  22  0.512 0.512 0.512 0.512 0.512 0.512 0.512
 29  0.00 -0.000001 252 -1  23  0.512 0.512 0.512 0.512 0.512 0.512 0.512
 30  0.00 -0.000001 252 -1  24  0.512 0.512 0.512 0.512 0.512 0.512 0.512
 31  0.00  0.000000 252 -1  25  0.512 0.512 0.512 0.512 0.512 0.512 0.512
 32  0.00  0.000000 252 -1  26  0.512 0.512 0.512 0.512 0.512 0.512 0.512
 33  0.00  0.000000 252 -1  27  0.512 0.512 0.512 0.512 0.512 0.512 0.512
 34  1.00  0.000000 252 -1  28  0.512 0.512 0.512 0.512 0.512 0.512 0.512
 35  1.00  0.000000 252 -1  29  0.512 0.512 0.512 0.512 0.512 0.512 0.512
 36  1.00  0.000000 252 -1  30  0.512 0.341 0.512 0.512 0.512 0.512 0.512
 37  1.00  0.000000 252 -1  31  0.512 0.512 0.512 0.512 0.512 0.512 0.512


0    t(run)=  1.00,     t(job)=   1.00 seconds
1Mn I  4s23d5          nconf=  1      z= 25     ion= 0     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   1.71682   0.00000   0.00000   0.00000   1.71682  0.000000  0.880860  0.000000  0.268327
    0.0076     1       5.55513  10.21148   0.00000   0.00000   5.55513  10.21148  1.584672  2.148672  0.480723  0.647497
    0.0151     2      14.89562  19.14913   0.00000   0.00000  14.89562  19.14913  2.595074  2.941842  0.774682  0.867261
    0.0227     3      22.73504  25.56235   0.00001   0.00003  22.73505  25.56238  3.204116  3.394836  0.929554  0.965370
    0.0303     4      27.63317  29.77000   0.00005   0.00018  27.63323  29.77018  3.525131  3.641519  0.978098  0.946076
    0.0454     5      29.88587  28.79110   0.00048   0.00109  29.88636  28.79219  3.615337  3.492744  0.854077  0.718627
    0.0606     6      27.16551  25.50096   0.00216   0.00391  27.16767  25.50488  3.307905  3.085891  0.552979  0.367731
    0.0757     7      24.10918  23.15467   0.00659   0.01046  24.11577  23.16513  2.844882  2.597844  0.171310 -0.029642
    0.0908     8      22.69325  23.13336   0.01582   0.03224  22.70907  23.16560  2.353816  1.896981 -0.229934 -0.613524
    0.1211     9      24.86972  27.17126   0.05835   0.09649  24.92806  27.26775  1.500230  1.169889 -0.958201 -1.253326
    0.1514    10      29.41736  31.18754   0.14872   0.21667  29.56607  31.40421  0.902518  0.690434 -1.495187 -1.684453
    0.1817    11      32.25735  32.55769   0.30149   0.40380  32.55884  32.96149  0.524700  0.396654 -1.824432 -1.919881
    0.2119    12      32.12680  29.51498   0.52373   0.81475  32.65054  30.32973  0.298600  0.167651 -1.976222 -1.993700
    0.2725    13      25.49287  21.06895   1.16729   1.56952  26.66016  22.63847  0.093339  0.051662 -1.918304 -1.784485
    0.3331    14      16.95276  13.53476   2.00690   2.46396  18.95967  15.99872  0.028364  0.015393 -1.618654 -1.439883
    0.3936    15      10.95391   9.18352   2.92560   3.37808  13.87951  12.56160  0.008276  0.004417 -1.261205 -1.090979
    0.4542    16       8.10552   7.40509   3.80968   4.57475  11.91520  11.97984  0.002344  0.000651 -0.934105 -0.668477
    0.5753    17       7.69526   8.17908   5.17283   5.58798  12.86809  13.76707  0.000179  0.000049 -0.467010 -0.320736
    0.6964    18       8.45357   8.39059   5.82722   5.91123  14.28080  14.30182  0.000013  0.000004 -0.217641 -0.146473
    0.8175    19       8.01192   7.40130   5.86686   5.72208  13.87878  13.12337  0.000001  0.000000 -0.098060 -0.065455
    0.9386    20       6.65395   5.05976   5.50293   4.92820  12.15688   9.98795  0.000000  0.000000 -0.043632 -0.019288
    1.1809    21       3.64754   2.56636   4.27801   3.63421   7.92554   6.20057  0.000000  0.000000 -0.008305 -0.003489
    1.4231    22       1.81381   1.32756   3.04023   2.51505   4.85404   3.84261  0.000000  0.000000 -0.001442 -0.000589
    1.6653    23       1.03439   0.87071   2.06339   1.68226   3.09778   2.55296  0.000000  0.000000 -0.000239 -0.000096
    1.9075    24       0.78812   0.74154   1.36494   0.88926   2.15305   1.63080  0.000000  0.000000 -0.000039 -0.000006
    2.3920    25       0.74175   0.73301   0.57391   0.36815   1.31566   1.10115  0.000000  0.000000 -0.000001  0.000000
    2.8764    26       0.70209   0.65159   0.23522   0.14989   0.93731   0.80148  0.000000  0.000000  0.000000  0.000000
    3.3609    27       0.58843   0.51942   0.09534   0.06056   0.68376   0.57998  0.000000  0.000000  0.000000  0.000000
    3.8453    28       0.44992   0.32272   0.03843   0.01544   0.48834   0.33815  0.000000  0.000000  0.000000  0.000000
    4.8142    29       0.22101   0.14614   0.00618   0.00247   0.22719   0.14861  0.000000  0.000000  0.000000  0.000000
    5.7831    30       0.09399   0.05911   0.00098   0.00038   0.09497   0.05950  0.000000  0.000000  0.000000  0.000000
    6.7520    31       0.03649   0.02217   0.00015   0.00006   0.03664   0.02223  0.000000  0.000000  0.000000  0.000000
    7.7210    32       0.01329   0.00461   0.00002   0.00000   0.01331   0.00462  0.000000  0.000000  0.000000  0.000000
    9.6588    33       0.00154   0.00050   0.00000   0.00000   0.00154   0.00050  0.000000  0.000000  0.000000  0.000000
   11.5966    34       0.00016   0.00005   0.00000   0.00000   0.00016   0.00005  0.000000  0.000000  0.000000  0.000000
   13.5344    35       0.00002   0.00000   0.00000   0.00000   0.00002   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
   38.7259    41       0.00000   0.00000   0.00000   0.00000   0.00000   0.00000  0.000000  0.000000  0.000000  0.000000
   46.4771    42       0.00000   0.00000   0.00000   0.00000   0.00000   0.00000  0.000000  0.000000  0.000000  0.000000
   54.2283    43       0.00000   0.00000   0.00000   0.00000   0.00000   0.00000  0.000000  0.000000  0.000000  0.000000
   61.9796    44       0.00000   0.00000   0.00000   0.00000   0.00000   0.00000  0.000000  0.000000  0.000000  0.000000
1Mn I  4s23d5          nconf=  1      z= 25     ion= 0     kut=-1      exf=0.650     corrf=0.000   ca1=0.700   ca0=0.500



                           pnl( 2p)            pnl( 3s)            pnl( 3p)            pnl( 4s)            pnl( 3d) 
    r (a0)    nc          1         6         1         6         1         6         1         6         1         6


    0.0000     0      0.000000  0.006693  0.000000  0.099183  0.000000  0.002433  0.000000  0.022654  0.000000  0.000007
    0.0076     1      0.025346  0.054180  0.177605  0.239032  0.009212  0.019684  0.040563  0.054587  0.000052  0.000171
    0.0151     2      0.091649  0.136387  0.285665  0.319325  0.033281  0.049495  0.065227  0.072899  0.000393  0.000743
    0.0227     3      0.187180  0.242944  0.341601  0.353900  0.067874  0.088013  0.077965  0.080748  0.001245  0.001917
    0.0303     4      0.302719  0.430971  0.357480  0.342891  0.109549  0.155550  0.081533  0.078122  0.002775  0.005104
    0.0454     5      0.566172  0.703799  0.305584  0.251856  0.203673  0.252165  0.069507  0.057133  0.008314  0.012459
    0.0606     6      0.840333  0.973077  0.186820  0.114619  0.299646  0.345042  0.042172  0.025578  0.017566  0.023642
    0.0757     7      1.099996  1.219601  0.038590 -0.038592  0.387529  0.426495  0.008120 -0.009585  0.030679  0.038655
    0.0908     8      1.330843  1.525754 -0.114808 -0.258093  0.461499  0.518541 -0.027046 -0.059791  0.047540  0.067871
    0.1211     9      1.682308  1.801069 -0.382223 -0.482437  0.557539  0.578632 -0.088019 -0.110620  0.091298  0.117405
    0.1514    10      1.884413  1.935720 -0.556883 -0.605631  0.582764  0.571361 -0.127162 -0.137663  0.145758  0.175934
    0.1817    11      1.958841  1.957740 -0.629985 -0.631992  0.546111  0.508807 -0.142430 -0.141948  0.207532  0.240178
    0.2119    12      1.936272  1.846360 -0.614098 -0.529088  0.461251  0.342229 -0.136800 -0.115013  0.273531  0.341163
    0.2725    13      1.714005  1.558536 -0.395453 -0.231455  0.201599  0.049783 -0.082001 -0.042202  0.408358  0.473516
    0.3331    14      1.394135  1.230678 -0.052123  0.130679 -0.104838 -0.256110  0.000690  0.043717  0.535444  0.593291
    0.3936    15      1.074656  0.929996  0.308361  0.474892 -0.399576 -0.532140  0.084767  0.122294  0.646485  0.694682
    0.4542    16      0.798761  0.578676  0.626274  0.875522 -0.651850 -0.849210  0.155274  0.205503  0.737726  0.808415
    0.5753    17      0.411617  0.288974  1.050781  1.157961 -0.990535 -1.080847  0.234059  0.242527  0.859637  0.893467
    0.6964    18      0.201017  0.138973  1.207957  1.212953 -1.127904 -1.140151  0.233888  0.211554  0.912393  0.918946
    0.8175    19      0.095720  0.065807  1.184463  1.132443 -1.125594 -1.091266  0.178826  0.138642  0.915490  0.904124
    0.9386    20      0.045217  0.021312  1.065029  0.907973 -1.043052 -0.922960  0.093476 -0.004138  0.886641  0.839064
    1.1809    21      0.009849  0.004449  0.747256  0.600028 -0.792003 -0.665240 -0.102361 -0.194898  0.781757  0.720537
    1.4231    22      0.001979  0.000871  0.473263  0.368306 -0.550203 -0.449884 -0.278334 -0.351195  0.659028  0.599410
    1.6653    23      0.000380  0.000165  0.283690  0.216763 -0.364698 -0.293706 -0.413165 -0.464586  0.542928  0.490227
    1.9075    24      0.000071  0.000013  0.164573  0.093519 -0.235349 -0.149539 -0.506157 -0.563295  0.441578  0.356423
    2.3920    25      0.000002  0.000000  0.052433  0.029128 -0.094224 -0.059165 -0.591921 -0.598877  0.286333  0.229331
    2.8764    26      0.000000  0.000000  0.016048  0.008719 -0.037149 -0.023365 -0.589938 -0.569762  0.183312  0.146331
    3.3609    27      0.000000  0.000000  0.004661  0.002466 -0.014697 -0.009160 -0.541997 -0.509446  0.116703  0.093011
    3.8453    28      0.000000  0.000000  0.001295  0.000353 -0.005614 -0.002036 -0.474230 -0.401684  0.074090  0.046957
    4.8142    29      0.000000  0.000000  0.000095  0.000026 -0.000717 -0.000248 -0.332421 -0.270312  0.029719  0.018777
    5.7831    30      0.000000  0.000000  0.000007  0.000002 -0.000085 -0.000029 -0.216789 -0.171921  0.011831  0.007416
    6.7520    31      0.000000  0.000000  0.000000  0.000000 -0.000010 -0.000003 -0.135071 -0.105282  0.004618  0.002863
    7.7210    32      0.000000  0.000000  0.000000  0.000000 -0.000001  0.000000 -0.081506 -0.048022  0.001769  0.000671
    9.6588    33      0.000000  0.000000  0.000000  0.000000  0.000000  0.000000 -0.027773 -0.015825  0.000253  0.000095
   11.5966    34      0.000000  0.000000  0.000000  0.000000  0.000000  0.000000 -0.008907 -0.004963  0.000035  0.000013
   13.5344    35      0.000000  0.000000  0.000000  0.000000  0.000000  0.000000 -0.002741 -0.001503  0.000005  0.000002
   15.4722    36      0.000000  0.000000  0.000000  0.000000  0.000000  0.000000 -0.000819 -0.000239  0.000001  0.000000
   19.3478    37      0.000000  0.000000  0.000000  0.000000  0.000000  0.000000 -0.000069 -0.000019  0.000000  0.000000
   23.2234    38      0.000000  0.000000  0.000000  0.000000  0.000000  0.000000 -0.000005 -0.000001  0.000000  0.000000
   27.0990    39      0.000000  0.000000  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  0.000000  0.000000
   38.7259    41      0.000000  0.000000  0.000000  0.000000  0.000000  0.000000  0.000000  0.000000  0.000000  0.000000
   46.4771    42      0.000000  0.000000  0.000000  0.000000  0.000000  0.000000  0.000000  0.000000  0.000000  0.000000
   54.2283    43      0.000000  0.000000  0.000000  0.000000  0.000000  0.000000  0.000000  0.000000  0.000000  0.000000
   61.9796    44      0.000000  0.000000  0.000000  0.000000  0.000000  0.000000  0.000000  0.000000  0.000000  0.000000
1Mn I  4s23d5          nconf=  1      z= 25     ion= 0     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.    -486.13417    272.202  0.000E+00  1.273E+03  2.493E+01  6.085E-02  4.980E-03  5.132E-04  6.391E-05  1.573E-06
  2s    2.     -59.56538     83.056  0.000E+00  1.205E+02  5.346E+00  2.773E-01  9.077E-02  3.395E-02  1.437E-02  3.617E-03
  2p    6.     -50.29772    505.369  4.143E+02  3.725E+01  5.207E+00  2.464E-01  7.456E-02  2.689E-02  1.130E-02  2.971E-03
  3s    2.      -7.78788     30.706  0.000E+00  1.714E+01  1.654E+00  8.482E-01  8.285E-01  9.074E-01  1.107E+00  2.246E+00
  3p    4.      -5.31960    183.736  4.934E+01  5.055E+00  1.517E+00  8.995E-01  9.512E-01  1.150E+00  1.579E+00  4.273E+00
  4s    2.      -0.52010      7.014  0.000E+00  9.935E-01  3.935E-01  3.260E+00  1.238E+01  5.390E+01  2.668E+02  9.262E+03
  3d    7.      -1.16208    131.784  4.211E+00  1.862E+00  1.168E+00  1.137E+00  1.676E+00  3.121E+00  7.158E+00  6.386E+01

       25.                                      3.080E+03  1.101E+02  2.193E+01  4.259E+01  1.363E+02  5.923E+02  1.899E+04

        1.                                      1.232E+02  4.405E+00  8.772E-01  1.704E+00  5.452E+00  2.369E+01  7.597E+02



            --------------------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 -629.90969  -481.63354  -26.45308   21.78837   -4.665  -486.29825
  2s    2.      0.00000       0.000   0.00000       0.000 -154.28235   -58.18008   -3.07274    2.00991   -1.063   -59.24290
  2p    6.      0.48390   53102.124   0.51233   56221.607 -151.97523   -50.15737   -0.41732   -0.01026   -0.417   -50.57469
  3s    2.      0.00000       0.000   0.00000       0.000  -59.22200    -7.67325   -0.43756    0.27448   -0.163    -7.83633
  3p    4.      0.05755    6315.106   0.06055    6644.545  -55.46596    -5.32794   -0.06251   -0.00118   -0.063    -5.39045
  4s    2.      0.00000       0.000   0.00000       0.000  -17.95790    -0.62650   -0.02299    0.01432   -0.009    -0.63517
  3d    7.      0.00302     330.901   0.00362     396.728  -45.38402    -1.54684   -0.00687   -0.00037   -0.007    -1.55371
1slater integrals


 Mn I  4s23d5            nconf=  1      z= 25     ion= 0     kut=-1      exf=0.650     corrf=0.000   ca1=0.700   ca0=0.500


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


 ( 1s, 1s)       0   30.9186625 ryd  =  3392930.929 cm-1   1.000         0    0.0000000 ryd  =        0.000 cm-1   0.000
 
 ( 1s, 2s)       0    9.1773089 ryd  =  1007093.217 cm-1   1.000         0    0.8377781 ryd  =    91935.514 cm-1   0.365
 
 ( 1s, 2p)       0   10.1887366 ryd  =  1118084.572 cm-1   1.000         1    1.6847500 ryd  =   184879.941 cm-1   1.000
 
 ( 1s, 3s)       0    3.1036062 ryd  =   340581.407 cm-1   1.000         0    0.1060661 ryd  =    11639.409 cm-1   0.352
 
 ( 1s, 3p)       0    3.0067164 ryd  =   329948.980 cm-1   1.000         1    0.1903415 ryd  =    20887.560 cm-1   0.998
 
 ( 1s, 4s)       0    0.7763306 ryd  =    85192.434 cm-1   1.000         0    0.0054823 ryd  =      601.613 cm-1   0.350
 
 ( 1s, 3d)       0    2.3350837 ryd  =   256245.812 cm-1   1.000         2    0.0030056 ryd  =      329.827 cm-1   1.000
 
 ( 2s, 2s)       0    6.5243001 ryd  =   715959.157 cm-1   1.000         0    0.0000000 ryd  =        0.000 cm-1   0.000
 
 ( 2s, 2p)       0    6.8746343 ryd  =   754403.888 cm-1   1.000         1    3.9875837 ryd  =   437586.724 cm-1   0.958
 
 ( 2s, 3s)       0    2.7830395 ryd  =   305403.280 cm-1   1.000         0    0.1800699 ryd  =    19760.392 cm-1   0.248
 
 ( 2s, 3p)       0    2.6796882 ryd  =   294061.778 cm-1   1.000         1    0.1561624 ryd  =    17136.844 cm-1   0.460
 
 ( 2s, 4s)       0    0.7597848 ryd  =    83376.741 cm-1   1.000         0    0.0085231 ryd  =      935.297 cm-1   0.235
 
 ( 2s, 3d)       0    2.2981492 ryd  =   252192.714 cm-1   1.000         2    0.2617463 ryd  =    28723.336 cm-1   0.999
 
 ( 2p, 2p)       0    7.4144105 ryd  =   813637.480 cm-1   1.000         0    0.0000000 ryd  =        0.000 cm-1   0.000
 ( 2p, 2p)       2    3.4941920 ryd  =   383443.243 cm-1   1.000         0    0.0000000 ryd  =        0.000 cm-1   0.000
 
 ( 2p, 3s)       0    2.8210661 ryd  =   309576.210 cm-1   1.000         1    0.2237833 ryd  =    24557.378 cm-1   0.523
 
 ( 2p, 3p)       0    2.7277008 ryd  =   299330.552 cm-1   1.000         0    0.2025337 ryd  =    22225.499 cm-1   0.291
 ( 2p, 3p)       2    0.5299499 ryd  =    58155.277 cm-1   1.000         2    0.2122889 ryd  =    23296.014 cm-1   0.758
 
 ( 2p, 4s)       0    0.7617298 ryd  =    83590.181 cm-1   1.000         1    0.0108763 ryd  =     1193.538 cm-1   0.507
 
 ( 2p, 3d)       0    2.3064558 ryd  =   253104.260 cm-1   1.000         1    0.2899927 ryd  =    31823.020 cm-1   1.000
 ( 2p, 3d)       2    0.4092617 ryd  =    44911.278 cm-1   1.000         3    0.1644812 ryd  =    18049.729 cm-1   1.000
 
 ( 3s, 3s)       0    2.1244097 ryd  =   233127.008 cm-1   1.000         0    0.0000000 ryd  =        0.000 cm-1   0.000
 
 ( 3s, 3p)       0    2.0645047 ryd  =   226553.198 cm-1   1.000         1    1.3745543 ryd  =   150839.897 cm-1   0.997
 
 ( 3s, 4s)       0    0.7292323 ryd  =    80023.994 cm-1   1.000         0    0.0228319 ryd  =     2505.508 cm-1   0.228
 
 ( 3s, 3d)       0    1.8430325 ryd  =   202249.430 cm-1   1.000         2    0.7979646 ryd  =    87566.486 cm-1   0.968
 
 ( 3p, 3p)       0    2.0098899 ryd  =   220559.913 cm-1   1.000         0    0.0000000 ryd  =        0.000 cm-1   0.000
 ( 3p, 3p)       2    1.0107778 ryd  =   110920.037 cm-1   1.000         0    0.0000000 ryd  =        0.000 cm-1   0.000
 
1slater integrals


 Mn I  4s23d5            nconf=  1      z= 25     ion= 0     kut=-1      exf=0.650     corrf=0.000   ca1=0.700   ca0=0.500


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


 ( 3p, 4s)       0    0.7267637 ryd  =    79753.095 cm-1   1.000         1    0.0325559 ryd  =     3572.602 cm-1   0.460
 
 ( 3p, 3d)       0    1.7988178 ryd  =   197397.428 cm-1   1.000         1    1.0530153 ryd  =   115555.068 cm-1   0.959
 ( 3p, 3d)       2    0.8470659 ryd  =    92954.738 cm-1   1.000         3    0.6355348 ryd  =    69741.880 cm-1   0.991
 
 ( 4s, 4s)       0    0.5557897 ryd  =    60990.863 cm-1   1.000         0    0.0000000 ryd  =        0.000 cm-1   0.000
 
 ( 4s, 3d)       0    0.7136535 ryd  =    78314.422 cm-1   1.000         2    0.0747287 ryd  =     8200.524 cm-1   0.768
 
 ( 3d, 3d)       0    1.6359355 ryd  =   179523.167 cm-1   1.000         0    0.0000000 ryd  =        0.000 cm-1   0.000
 ( 3d, 3d)       2    0.7513993 ryd  =    82456.539 cm-1   1.000         0    0.0000000 ryd  =        0.000 cm-1   0.000
 ( 3d, 3d)       4    0.4664714 ryd  =    51189.320 cm-1   1.000         0    0.0000000 ryd  =        0.000 cm-1   0.000
 
1  Mn I  4s23d5            nconf=  1    z= 25    ncores= 6    nvales= 1    ion= 0    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
0interaction energies



            1s       2s       2p       3s       3p       4s       3d
 
  1s     30.9187
  2s      8.7584   6.5243
  2p      9.9079   6.2100   7.1349
  3s      3.0506   2.6930   2.7838   2.1244
  3p      2.9750   2.6537   2.6798   1.8354   1.9290
  4s      0.7736   0.7555   0.7599   0.7178   0.7213   0.5558
  3d      2.3348   2.2720   2.2801   1.7632   1.7014   0.7062   1.5973


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

  1s    2.    -486.13474   -486.13474-0.08246   -486.21720   -486.21720  0.0454  0.0454  -0.08205   0.00000-0.0821
  2s    2.     -59.56547    -59.56547-0.08103    -59.64650    -59.64650  0.1296  0.1295  -0.21929  -0.05853-0.0787
  2p    6.     -50.29783    -50.29783-0.08125    -50.37908    -50.37908  0.1410  0.1409  -0.70251  -0.07994-0.0803-0.0805-0.0809
  3s    2.      -7.78788     -7.78788-0.07751     -7.86539     -7.86539  0.3583  0.3566  -0.82948  -0.05496-0.0720
  3p    4.      -5.31966     -5.31966-0.07711     -5.39677     -5.39677  0.4336  0.4305  -1.12599  -0.07279-0.0739-0.0746-0.0752
  4s    2.      -0.52014     -0.52014-0.05557     -0.57571     -0.57571  1.3866  1.3180  -1.22922  -0.04766-0.0556
  3d    7.      -1.16207     -1.16207-0.07511     -1.23719     -1.23719  0.9276  0.8990  -1.74219  -0.07125-0.0725-0.0731-0.0745

0                           ecorrt=  -1.91486 (old)              ect=  -1.74219 (new)     etotrl=      0.00000 +  0.00000 +  0.00000

      etot=  -2306.68192  -2306.68192          -2308.59678  -2308.59678  -2308.42411  -2308.42411  -2308.42411


 Mn I  4s23d5           9  -2308.4241 0  110.9200 1   82.4565 1   51.1893 1    6.3151 2
     0.3309 2   92.9547 3  115.5551 4   69.7419 4


0    t(run)=  1.00,     t(job)=   1.00 seconds
