64      Gd      [Xe] 4f^7 5d^1 6s^2 


             LDA              LSD             RLDA             ScRLDA     
 
Etot  = -10816.653877    -10817.015588    -11253.521213    -11244.701678
Ekin  =  10812.026730     10812.416901     12232.345224     12036.507074
Ecoul =   4273.725204      4275.692791      4373.774424      4363.353887
Eenuc = -25670.165341    -25672.462978    -27636.822576    -27422.418209
Exc   =   -232.240470      -232.662302      -222.818285      -222.144431


     1s  -1728.625195     -1728.588558     -1827.512561     -1829.594357
                          -1728.588559                                  

     2s   -275.363130      -275.327223      -302.005470      -302.485364
                           -275.320070                                  

     2p   -262.081616      -262.044950      -287.077409      -269.611367
                           -262.040430      -261.791408                 

     3s    -60.764408       -60.782510       -66.969454       -67.076417
                            -60.658331                                  

     3p    -54.836922       -54.850217       -60.443038       -56.858628
                            -54.736224       -55.253146                 

     3d    -43.754556       -43.753962       -43.898364       -43.292147
                            -43.669173       -42.761540                 

     4s    -11.986486       -12.060812       -13.467046       -13.488617
                            -11.833326                                  

     4p     -9.669866        -9.743881       -10.919046       -10.110469
                             -9.518093        -9.756722                 

     4d     -5.531835        -5.605206        -5.537591        -5.420580
                             -5.383254        -5.326485                 

     4f     -0.489012        -0.557719        -0.348286        -0.333196
                             -0.357123        -0.320365                 

     5s     -1.608477        -1.646978        -1.822590        -1.825720
                             -1.541969                                  

     5p     -0.978749        -1.011172        -1.116922        -1.003941
                             -0.923668        -0.956286                 

     5d     -0.127220        -0.143619        -0.105650        -0.099570
                             -0.102139        -0.095681                 

     6s     -0.143627        -0.150526        -0.156391        -0.156413
                             -0.133598                                  
 


64     Gd+      [Xe] 4f^7 5d^1 6s^1 


             LDA              LSD             RLDA             ScRLDA     
 
Etot  = -10816.420381    -10816.800923    -11253.270114    -11244.450581
Ekin  =  10811.808161     10812.222138     12232.067055     12036.249338
Ecoul =   4259.301541      4261.394792      4358.835185      4348.405888
Eenuc = -25655.441102    -25657.887754    -27621.511179    -27407.118473
Exc   =   -232.088981      -232.530099      -222.661175      -221.987333


     1s  -1728.854049     -1728.815448     -1827.750098     -1829.831855
                          -1728.815083                                  

     2s   -275.591167      -275.553551      -302.241625      -302.721627
                           -275.546074                                  

     2p   -262.309723      -262.271297      -287.313685      -269.847692
                           -262.266482      -262.027607                 

     3s    -60.992235       -61.008782       -67.205191       -67.312298
                            -60.884226                                  

     3p    -55.064763       -55.076494       -60.678796       -57.094515
                            -54.962130       -55.488882                 

     3d    -43.982393       -43.980226       -44.134099       -43.528024
                            -43.895079       -42.997269                 

     4s    -12.214348       -12.287047       -13.702881       -13.724606
                            -12.058832                                  

     4p     -9.897725        -9.970115       -11.154891       -10.346487
                             -9.743556        -9.992595                 

     4d     -5.759667        -5.831434        -5.773459        -5.656606
                             -5.608586        -5.562359                 

     4f     -0.716631        -0.783886        -0.583979        -0.569032
                             -0.581599        -0.556034                 

     5s     -1.835634        -1.872969        -2.058401        -2.061685
                             -1.764674                                  

     5p     -1.205229        -1.236985        -1.352300        -1.239219
                             -1.144675        -1.191272                 

     5d     -0.340887        -0.361496        -0.325099        -0.318230
                             -0.301366        -0.313548                 

     6s     -0.327016        -0.342688        -0.349842        -0.349965
                             -0.296249