68      Er      [Xe] 4f^12 6s^2


             LDA              LSD             RLDA             ScRLDA     
 
Etot  = -12494.718304    -12494.746152    -13068.169202    -13055.061842
Ekin  =  12489.682402     12489.712207     14376.130835     14108.042664
Ecoul =   5005.110005      5005.227549      5127.726897      5114.219595
Eenuc = -29730.765707    -29730.908576    -32324.747955    -32030.841083
Exc   =   -258.745003      -258.777332      -247.278978      -246.483018


     1s  -1961.799176     -1961.797035     -2092.062806     -2094.758337
                          -1961.797030                                  

     2s   -316.310631      -316.309432      -351.719264      -352.348833
                           -316.307167                                  

     2p   -302.018270      -302.016669      -335.334797      -312.136138
                           -302.015286      -302.036272                 

     3s    -70.310142       -70.327259       -78.823733       -78.966296
                            -70.287661                                  

     3p    -63.818655       -63.834113       -71.573655       -66.698513
                            -63.797882       -64.574810                 

     3d    -51.682149       -51.692892       -52.088642       -51.264473
                            -51.666213       -50.550603                 

     4s    -13.423547       -13.453738       -15.518822       -15.546812
                            -13.388718                                  

     4p    -10.819574       -10.849515       -12.613406       -11.501076
                            -10.785065       -11.030459                 

     4d     -6.127443        -6.156868        -6.225804        -6.063848
                             -6.093618        -5.936804                 

     4f     -0.278577        -0.304697        -0.150730        -0.128341
                             -0.249010        -0.110786                 

     5s     -1.616073        -1.627896        -1.899052        -1.902656
                             -1.603272                                  

     5p     -0.935202        -0.944381        -1.112665        -0.972445
                             -0.925366        -0.916053                 

     6s     -0.134905        -0.135650        -0.146084        -0.146042
                             -0.134146                                  

 


68     Er+      [Xe] 4f^12 6s^1


             LDA              LSD             RLDA             ScRLDA     
 
Etot  = -12494.494134    -12494.529960    -13067.927245    -13054.819994
Ekin  =  12489.472991     12489.513543     14375.857670     14107.792222
Ecoul =   4989.327804      4989.572694      5111.276003      5097.746242
Eenuc = -29714.699413    -29714.978633    -32307.934808    -32014.028561
Exc   =   -258.595516      -258.637565      -247.126110      -246.329898


     1s  -1962.034521     -1962.030569     -2092.308599     -2095.004265
                          -1962.030220                                  

     2s   -316.545274      -316.542237      -351.963601      -352.593466
                           -316.539767                                  

     2p   -302.253018      -302.249571      -335.579345      -312.380888
                           -302.247987      -302.280695                 

     3s    -70.544064       -70.559309       -79.066608       -79.209531
                            -70.519655                                  

     3p    -64.052610       -64.066201       -71.816606       -66.941770
                            -64.029900       -64.817688                 

     3d    -51.916190       -51.925077       -52.331688       -51.507857
                            -51.898298       -50.793618                 

     4s    -13.657889       -13.686238       -15.762256       -15.790620
                            -13.621042                                  

     4p    -11.053953       -11.082068       -12.856914       -11.745091
                            -11.017408       -11.274163                 

     4d     -6.361899        -6.389539        -6.469703        -6.308156
                             -6.325988        -6.180772                 

     4f     -0.513018        -0.537684        -0.395194        -0.373129
                             -0.480987        -0.355198                 

     5s     -1.850983        -1.862027        -2.146147        -2.150054
                             -1.835123                                  

     5p     -1.168969        -1.178156        -1.359313        -1.219006
                             -1.155235        -1.162119                 

     6s     -0.317249        -0.328652        -0.342011        -0.342062
                             -0.298921