20      Ca      [Ar] 4s^2


             LDA              LSD             RLDA             ScRLDA     
 
Etot  =   -675.742283      -675.742283      -678.279346      -678.274863
Ekin  =    674.657334       674.657334       682.333976       681.609187
Ecoul =    285.206130       285.206130       286.211793       286.138343
Eenuc =  -1601.463209     -1601.463209     -1612.948417     -1612.158072
Exc   =    -34.142538       -34.142538       -33.876698       -33.864321


     1s   -143.935181      -143.935181      -144.401277      -144.422265
                           -143.935181                                  

     2s    -15.046905       -15.046905       -15.158072       -15.160856
                            -15.046905                                  

     2p    -12.285376       -12.285376       -12.375249       -12.288201
                            -12.285376       -12.240515                 

     3s     -1.706331        -1.706331        -1.719212        -1.719414
                             -1.706331                                  

     3p     -1.030572        -1.030572        -1.038068        -1.028676
                             -1.030572        -1.023799                 

     4s     -0.141411        -0.141411        -0.141884        -0.141890
                             -0.141411                                  
 


20     Ca+      [Ar] 4s^1


             LDA              LSD             RLDA             ScRLDA     
 
Etot  =   -675.505938      -675.514035      -678.042186      -678.037702
Ekin  =    674.436293       674.447544       682.110506       681.386551
Ecoul =    280.241718       280.278826       281.231120       281.157598
Eenuc =  -1596.202334     -1596.248611     -1607.668472     -1606.878876
Exc   =    -33.981615       -33.991795       -33.715340       -33.702976


     1s   -144.195299      -144.193738      -144.662307      -144.683280
                           -144.192355                                  

     2s    -15.305897       -15.304453       -15.417917       -15.420705
                            -15.303067                                  

     2p    -12.544451       -12.542953       -12.635172       -12.548122
                            -12.541647       -12.500429                 

     3s     -1.961510        -1.961442        -1.975247        -1.975458
                             -1.957871                                  

     3p     -1.284531        -1.285048        -1.292889        -1.283452
                             -1.280251        -1.278538                 

     4s     -0.335571        -0.347687        -0.336754        -0.336768
                             -0.314890