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              0.6878              0.0000              0.0000             -0.0894
s                                      1              1.5789              0.0000              0.0000             -0.0623
s                                      2              0.0008              0.0000              0.0000              0.0242
s                                      3             -0.0017              0.0000              0.0000             -0.0078
SUM OVER M+Zeta                                       2.2658              0.0000              0.0000             -0.1353

pz                                     0              1.9869              0.0000              0.0000             -0.0024
px                                     0              1.9869              0.0000              0.0000             -0.0024
py                                     0              1.9869              0.0000              0.0000             -0.0024
SUM OVER M                                            5.9607              0.0000              0.0000             -0.0071
pz                                     1              0.3267              0.0000              0.0000              0.0160
px                                     1              0.3267              0.0000              0.0000              0.0160
py                                     1              0.3267              0.0000              0.0000              0.0160
SUM OVER M                                            0.9802              0.0000              0.0000              0.0481
SUM OVER M+Zeta                                       6.9409              0.0000              0.0000              0.0409

dz^2                                   0              1.2510              0.0000              0.0000              0.6384
dxz                                    0              1.3665              0.0000              0.0000              0.3390
dyz                                    0              1.3665              0.0000              0.0000              0.3390
dx^2-y^2                               0              1.2510              0.0000              0.0000              0.6384
dxy                                    0              1.3665              0.0000              0.0000              0.3390
SUM OVER M                                            6.6015              0.0000              0.0000              2.2940
dz^2                                   1              0.0353              0.0000              0.0000              0.0065
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              0.0065
dxy                                    1              0.0222              0.0000              0.0000              0.0049
SUM OVER M                                            0.1371              0.0000              0.0000              0.0277
SUM OVER M+Zeta                                       6.7386              0.0000              0.0000              2.3217

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              2.2318

Total Charge on atom:                 Fe             16.0000
Total Magnetism on atom:              Fe              0.0000              0.0000              2.2318


1                             Zeta of Fe              Spin 1              Spin 2              Spin 3              Spin 4
s                                      0              0.6878              0.0000              0.0000             -0.0894
s                                      1              1.5789              0.0000              0.0000             -0.0623
s                                      2              0.0008              0.0000              0.0000              0.0242
s                                      3             -0.0017              0.0000              0.0000             -0.0078
SUM OVER M+Zeta                                       2.2658              0.0000              0.0000             -0.1353

pz                                     0              1.9869              0.0000              0.0000             -0.0024
px                                     0              1.9869              0.0000              0.0000             -0.0024
py                                     0              1.9869              0.0000              0.0000             -0.0024
SUM OVER M                                            5.9607              0.0000              0.0000             -0.0071
pz                                     1              0.3267              0.0000              0.0000              0.0160
px                                     1              0.3267              0.0000              0.0000              0.0160
py                                     1              0.3267              0.0000              0.0000              0.0160
SUM OVER M                                            0.9802              0.0000              0.0000              0.0481
SUM OVER M+Zeta                                       6.9409              0.0000              0.0000              0.0409

dz^2                                   0              1.2510              0.0000              0.0000              0.6384
dxz                                    0              1.3665              0.0000              0.0000              0.3390
dyz                                    0              1.3665              0.0000              0.0000              0.3390
dx^2-y^2                               0              1.2510              0.0000              0.0000              0.6384
dxy                                    0              1.3665              0.0000              0.0000              0.3390
SUM OVER M                                            6.6015              0.0000              0.0000              2.2940
dz^2                                   1              0.0353              0.0000              0.0000              0.0065
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              0.0065
dxy                                    1              0.0222              0.0000              0.0000              0.0049
SUM OVER M                                            0.1371              0.0000              0.0000              0.0277
SUM OVER M+Zeta                                       6.7386              0.0000              0.0000              2.3217

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              2.2318

Total Charge on atom:                 Fe             16.0000
Total Magnetism on atom:              Fe              0.0000              0.0000              2.2318


