60      Nd      [Xe] 4f^4 6s^2 


             LDA              LSD             RLDA             ScRLDA     
 
Etot  =  -9280.311037     -9280.405670     -9607.639211     -9601.845760
Ekin  =   9276.054440      9276.157337     10329.056117     10188.284911
Ecoul =   3654.948015      3655.806961      3732.834070      3724.998433
Eenuc = -22003.064698    -22004.000610    -23469.015449    -23315.170387
Exc   =   -208.248794      -208.369358      -200.513948      -199.958718


     1s  -1509.698955     -1509.683004     -1583.602273     -1585.186957
                          -1509.683005                                  

     2s   -236.613572      -236.597102      -256.377644      -256.736096
                           -236.595162                                  

     2p   -224.351816      -224.335240      -242.835345      -229.878391
                           -224.334112      -223.926274                 

     3s    -51.161263       -51.167372       -55.633381       -55.710692
                            -51.115875                                  

     3p    -45.791219       -45.795419       -49.797677       -47.208988
                            -45.747957       -46.021219                 

     3d    -35.754515       -35.752987       -35.777290       -35.340153
                            -35.717548       -34.956592                 

     4s    -10.000891       -10.038839       -11.044804       -11.059937
                             -9.927914                                  

     4p     -7.967820        -8.005896        -8.836193        -8.266765
                             -7.895278        -8.011320                 

     4d     -4.377027        -4.415275        -4.363215        -4.282109
                             -4.305742        -4.216897                 

     4f     -0.179508        -0.214200        -0.083823        -0.075386
                             -0.119897        -0.068884                 

     5s     -1.334934        -1.357801        -1.483462        -1.485609
                             -1.300622                                  

     5p     -0.798503        -0.817020        -0.891154        -0.813100
                             -0.771339        -0.779257                 

     6s     -0.125796        -0.127977        -0.133169        -0.133188
                             -0.123028                                  

 


60     Nd+      [Xe] 4f^4 6s^1 


             LDA              LSD             RLDA             ScRLDA     
 
Etot  =  -9280.102736     -9280.207189     -9607.419538     -9601.626113
Ekin  =   9275.860111      9275.975780     10328.822145     10188.064688
Ecoul =   3642.156724      3643.078190      3719.803023      3711.957564
Eenuc = -21990.011439    -21991.022831    -23455.671103    -23301.830073
Exc   =   -208.108131      -208.238327      -200.373603      -199.818292


     1s  -1509.915583     -1509.898634     -1583.823357     -1585.408073
                          -1509.898293                                  

     2s   -236.829552      -236.812268      -256.597403      -256.955995
                           -236.810106                                  

     2p   -224.567889      -224.550448      -243.055296      -230.098416
                           -224.549110      -224.146137                 

     3s    -51.376525       -51.382190       -55.851688       -55.929177
                            -51.330320                                  

     3p    -46.006513       -46.010250       -50.016053       -47.427501
                            -45.962428       -46.239538                 

     3d    -35.969893       -35.967850       -35.995772       -35.558798
                            -35.932093       -35.175051                 

     4s    -10.216401       -10.253779       -11.263625       -11.278946
                            -10.142113                                  

     4p     -8.183367        -8.220858        -9.055110        -8.485965
                             -8.109460        -8.230378                 

     4d     -4.592655        -4.630289        -4.582529        -4.501637
                             -4.519860        -4.436261                 

     4f     -0.394808        -0.429008        -0.303368        -0.295057
                             -0.332514        -0.288334                 

     5s     -1.550614        -1.572553        -1.705432        -1.707745
                             -1.512947                                  

     5p     -1.013054        -1.031202        -1.112570        -1.034395
                             -0.981611        -1.000240                 

     6s     -0.294176        -0.305497        -0.309758        -0.309862
                             -0.274539