49      In      [Kr] 4d^10 5s^2 5p^1 


             LDA              LSD             RLDA             ScRLDA     
 
Etot  =  -5737.309064     -5737.313809     -5870.165899     -5868.610083
Ekin  =   5733.944120      5733.950328      6151.216822      6100.276039
Ecoul =   2334.432447      2334.515886      2369.191647      2366.090371
Eenuc = -13654.870647    -13654.958268    -14243.954925    -14188.640485
Exc   =   -150.814984      -150.821755      -146.619443      -146.336008


     1s   -983.647445      -983.645885     -1013.478020     -1014.158195
                           -983.645444                                  

     2s   -144.078357      -144.076648      -151.913035      -152.053919
                           -144.076536                                  

     2p   -134.628845      -134.627214      -141.873435      -136.710712
                           -134.626943      -134.194416                 

     3s    -27.220600       -27.219024       -28.820727       -28.845851
                            -27.218673                                  

     3p    -23.345778       -23.344217       -24.735818       -23.798803
                            -23.343834       -23.347867                 

     3d    -16.139823       -16.138233       -16.062048       -15.906974
                            -16.137907       -15.776264                 

     4s     -4.062639        -4.061280        -4.373328        -4.376509
                             -4.060576                                  

     4p     -2.795832        -2.794566        -3.032017        -2.863935
                             -2.793684        -2.786227                 

     4d     -0.730481        -0.730118        -0.708225        -0.689460
                             -0.727450        -0.676442                 

     5s     -0.290497        -0.297732        -0.310718        -0.310881
                             -0.279535                                  

     5p     -0.101782        -0.109434        -0.107222        -0.099178
                             -0.090401        -0.095610                 

 


49     In+      [Kr] 4d^10 5s^2  


             LDA              LSD             RLDA             ScRLDA     
 
Etot  =  -5737.101461     -5737.101461     -5869.960112     -5868.404706
Ekin  =   5733.753634      5733.753634      6151.031572      6100.090338
Ecoul =   2321.096294      2321.096294      2355.751087      2352.656905
Eenuc = -13641.317213    -13641.317213    -14230.304070    -14174.996462
Exc   =   -150.634176      -150.634176      -146.438701      -146.155487


     1s   -983.924901      -983.924901     -1013.757535     -1014.437547
                           -983.924901                                  

     2s   -144.354301      -144.354301      -152.190962      -152.331694
                           -144.354301                                  

     2p   -134.904998      -134.904998      -142.151631      -136.988709
                           -134.904998      -134.472549                 

     3s    -27.496401       -27.496401       -29.098531       -29.123508
                            -27.496401                                  

     3p    -23.621599       -23.621599       -25.013645       -24.076479
                            -23.621599       -23.625688                 

     3d    -16.415572       -16.415572       -16.339779       -16.184559
                            -16.415572       -16.053995                 

     4s     -4.338471        -4.338471        -4.651254        -4.654287
                             -4.338471                                  

     4p     -3.071699        -3.071699        -3.310020        -3.141815
                             -3.071699        -3.064266                 

     4d     -1.005437        -1.005437        -0.985393        -0.966425
                             -1.005437        -0.953503                 

     5s     -0.536302        -0.536302        -0.561227        -0.561320
                             -0.536302