STEP: 0
CALCULATE THE MULLIkEN ANALYSIS FOR EACH ATOM
 Total charge:	32
Decomposed Mulliken populations
0                             Zeta of Fe              Spin 1              Spin 2              Spin 3              Spin 4
s                                      0              0.6876              0.0000              0.0000             -0.0893
s                                      1              1.5788              0.0000              0.0000             -0.0622
s                                      2              0.0008              0.0000              0.0000              0.0242
s                                      3             -0.0017              0.0000              0.0000             -0.0078
SUM OVER M+Zeta                                       2.2656              0.0000              0.0000             -0.1352

pz                                     0              1.9868              0.0000              0.0000             -0.0024
px                                     0              1.9868              0.0000              0.0000             -0.0024
py                                     0              1.9868              0.0000              0.0000             -0.0024
SUM OVER M                                            5.9604              0.0000              0.0000             -0.0071
pz                                     1              0.3269              0.0000              0.0000              0.0161
px                                     1              0.3269              0.0000              0.0000              0.0160
py                                     1              0.3269              0.0000              0.0000              0.0160
SUM OVER M                                            0.9808              0.0000              0.0000              0.0481
SUM OVER M+Zeta                                       6.9412              0.0000              0.0000              0.0410

dz^2                                   0              1.2511              0.0000              0.0000              0.6381
dxz                                    0              1.3662              0.0000              0.0000              0.3392
dyz                                    0              1.3662              0.0000              0.0000              0.3392
dx^2-y^2                               0              1.2513              0.0000              0.0000              0.6380
dxy                                    0              1.3665              0.0000              0.0000              0.3388
SUM OVER M                                            6.6013              0.0000              0.0000              2.2932
dz^2                                   1              0.0353              0.0000              0.0000              0.0064
dxz                                    1              0.0222              0.0000              0.0000              0.0049
dyz                                    1              0.0222              0.0000              0.0000              0.0049
dx^2-y^2                               1              0.0353              0.0000              0.0000              0.0064
dxy                                    1              0.0222              0.0000              0.0000              0.0049
SUM OVER M                                            0.1372              0.0000              0.0000              0.0277
SUM OVER M+Zeta                                       6.7385              0.0000              0.0000              2.3209

fz^3                                   0              0.0055              0.0000              0.0000              0.0013
fxz^2                                  0              0.0089              0.0000              0.0000              0.0002
fyz^2                                  0              0.0089              0.0000              0.0000              0.0002
fzx^2-zy^2                             0              0.0109              0.0000              0.0000             -0.0005
fxyz                                   0              0.0054              0.0000              0.0000              0.0019
fx^3-3*xy^2                            0              0.0075              0.0000              0.0000              0.0007
f3yx^2-y^3                             0              0.0075              0.0000              0.0000              0.0007
SUM OVER M                                            0.0546              0.0000              0.0000              0.0045
SUM OVER M+Zeta                                       0.0546              0.0000              0.0000              0.0045

SUM OVER M+Zeta+L                                    16.0000              0.0000              0.0000              2.2311

Total Charge on atom:                 Fe             16.0000
Total Magnetism on atom:              Fe              0.0000              0.0000              2.2311


1                             Zeta of Fe              Spin 1              Spin 2              Spin 3              Spin 4
s                                      0              0.6876              0.0000              0.0000             -0.0893
s                                      1              1.5788              0.0000              0.0000             -0.0622
s                                      2              0.0008              0.0000              0.0000              0.0242
s                                      3             -0.0017              0.0000              0.0000             -0.0078
SUM OVER M+Zeta                                       2.2656              0.0000              0.0000             -0.1352

pz                                     0              1.9868              0.0000              0.0000             -0.0024
px                                     0              1.9868              0.0000              0.0000             -0.0024
py                                     0              1.9868              0.0000              0.0000             -0.0024
SUM OVER M                                            5.9604              0.0000              0.0000             -0.0071
pz                                     1              0.3269              0.0000              0.0000              0.0161
px                                     1              0.3269              0.0000              0.0000              0.0160
py                                     1              0.3269              0.0000              0.0000              0.0160
SUM OVER M                                            0.9808              0.0000              0.0000              0.0481
SUM OVER M+Zeta                                       6.9412              0.0000              0.0000              0.0410

dz^2                                   0              1.2511              0.0000              0.0000              0.6381
dxz                                    0              1.3662              0.0000              0.0000              0.3392
dyz                                    0              1.3662              0.0000              0.0000              0.3392
dx^2-y^2                               0              1.2513              0.0000              0.0000              0.6380
dxy                                    0              1.3665              0.0000              0.0000              0.3388
SUM OVER M                                            6.6013              0.0000              0.0000              2.2932
dz^2                                   1              0.0353              0.0000              0.0000              0.0064
dxz                                    1              0.0222              0.0000              0.0000              0.0049
dyz                                    1              0.0222              0.0000              0.0000              0.0049
dx^2-y^2                               1              0.0353              0.0000              0.0000              0.0064
dxy                                    1              0.0222              0.0000              0.0000              0.0049
SUM OVER M                                            0.1372              0.0000              0.0000              0.0277
SUM OVER M+Zeta                                       6.7385              0.0000              0.0000              2.3209

fz^3                                   0              0.0055              0.0000              0.0000              0.0013
fxz^2                                  0              0.0089              0.0000              0.0000              0.0002
fyz^2                                  0              0.0089              0.0000              0.0000              0.0002
fzx^2-zy^2                             0              0.0109              0.0000              0.0000             -0.0005
fxyz                                   0              0.0054              0.0000              0.0000              0.0019
fx^3-3*xy^2                            0              0.0075              0.0000              0.0000              0.0007
f3yx^2-y^3                             0              0.0075              0.0000              0.0000              0.0007
SUM OVER M                                            0.0546              0.0000              0.0000              0.0045
SUM OVER M+Zeta                                       0.0546              0.0000              0.0000              0.0045

SUM OVER M+Zeta+L                                    16.0000              0.0000              0.0000              2.2311

Total Charge on atom:                 Fe             16.0000
Total Magnetism on atom:              Fe              0.0000              0.0000              2.2311


