27      Co      [Ar] 3d^7 4s^2 


             LDA              LSD             RLDA             ScRLDA     
 
Etot  =  -1380.091264     -1380.167299     -1389.695823     -1389.663179
Ekin  =   1378.468819      1378.552711      1407.710690      1404.758937
Ecoul =    589.169216       589.395030       592.105098       591.861977
Eenuc =  -3291.260194     -3291.553847     -3333.731437     -3330.539729
Exc   =    -56.469106       -56.561193       -55.780174       -55.744364


     1s   -275.616639      -275.605654      -277.615154      -277.680432
                           -275.604880                                  

     2s    -32.379758       -32.397669       -32.891432       -32.901499
                            -32.335690                                  

     2p    -28.152095       -28.162856       -28.598003       -28.244979
                            -28.115711       -28.056780                 

     3s     -3.651812        -3.699797        -3.734790        -3.735699
                             -3.582479                                  

     3p     -2.388285        -2.435284        -2.450567        -2.405324
                             -2.320662        -2.382256                 

     3d     -0.322368        -0.364720        -0.316173        -0.311902
                             -0.263433        -0.309066                 

     4s     -0.204497        -0.213378        -0.208137        -0.208156
                             -0.194252                                  

 


27     Co+      [Ar] 3d^8 


             LDA              LSD             RLDA             ScRLDA     
 
Etot  =  -1379.865190     -1379.896444     -1389.451666     -1389.419023
Ekin  =   1378.249661      1378.284211      1407.437150      1404.503249
Ecoul =    586.054266       586.158076       588.779130       588.537950
Eenuc =  -3287.629441     -3287.760605     -3329.825475     -3326.653268
Exc   =    -56.539675       -56.578126       -55.842471       -55.806954


     1s   -275.731215      -275.726385      -277.739480      -277.804337
                           -275.726041                                  

     2s    -32.463543       -32.477124       -32.983798       -32.993772
                            -32.438728                                  

     2p    -28.239018       -28.248089       -28.693644       -28.340306
                            -28.218914       -28.152118                 

     3s     -3.765839        -3.797895        -3.855739        -3.856636
                             -3.724264                                  

     3p     -2.507576        -2.538937        -2.576562        -2.532085
                             -2.466985        -2.509418                 

     3d     -0.464776        -0.492321        -0.466055        -0.462127
                             -0.429837        -0.459523