STEP: 0
CALCULATE THE MULLIkEN ANALYSIS FOR EACH ATOM
 Total charge of spin 1:	16
 Total charge of spin 2:	16
 Total charge:	32
Decomposed Mulliken populations
0                             Zeta of Fe              Spin 1              Spin 2                 Sum                Diff
s                                      0              0.4050              0.3340              0.7389              0.0710
s                                      1              0.9177              0.9128              1.8305              0.0049
s                                      2              0.0575              0.0488              0.1063              0.0087
s                                      3             -0.0008             -0.0004             -0.0012             -0.0004
SUM OVER M+Zeta                                       1.3793              1.2952              2.6745              0.0841

pz                                     0              0.9949              0.9948              1.9897              0.0001
px                                     0              0.9949              0.9948              1.9897              0.0001
py                                     0              0.9949              0.9948              1.9897              0.0001
SUM OVER M                                            2.9847              2.9844              5.9692              0.0003
pz                                     1              0.0982              0.0787              0.1769              0.0195
px                                     1              0.0982              0.0787              0.1769              0.0195
py                                     1              0.0982              0.0787              0.1769              0.0195
SUM OVER M                                            0.2946              0.2361              0.5307              0.0585
SUM OVER M+Zeta                                       3.2793              3.2205              6.4999              0.0588

dz^2                                   0              0.8753              0.3840              1.2593              0.4914
dxz                                    0              0.8028              0.6330              1.4359              0.1698
dyz                                    0              0.8028              0.6330              1.4359              0.1698
dx^2-y^2                               0              0.8753              0.3840              1.2593              0.4914
dxy                                    0              0.8028              0.6330              1.4359              0.1698
SUM OVER M                                            4.1591              2.6671              6.8262              1.4921
dz^2                                   1             -0.0022              0.0015             -0.0007             -0.0037
dxz                                    1             -0.0031             -0.0049             -0.0080              0.0017
dyz                                    1             -0.0031             -0.0049             -0.0080              0.0017
dx^2-y^2                               1             -0.0022              0.0015             -0.0007             -0.0037
dxy                                    1             -0.0031             -0.0049             -0.0080              0.0017
SUM OVER M                                           -0.0138             -0.0116             -0.0254             -0.0022
SUM OVER M+Zeta                                       4.1454              2.6555              6.8008              1.4899

fz^3                                   0              0.0016              0.0012              0.0029              0.0004
fxz^2                                  0              0.0022              0.0019              0.0041              0.0003
fyz^2                                  0              0.0022              0.0019              0.0041              0.0003
fzx^2-zy^2                             0              0.0026              0.0023              0.0049              0.0002
fxyz                                   0              0.0006              0.0010              0.0016             -0.0004
fx^3-3*xy^2                            0              0.0020              0.0016              0.0036              0.0004
f3yx^2-y^3                             0              0.0020              0.0016              0.0036              0.0004
SUM OVER M                                            0.0132              0.0116              0.0248              0.0016
SUM OVER M+Zeta                                       0.0132              0.0116              0.0248              0.0016

SUM OVER M+Zeta+L                                     8.8172              7.1828             16.0000              1.6344

Total Charge on atom:                 Fe             16.0000
Total Magnetism on atom:              Fe              1.6344


1                             Zeta of Fe              Spin 1              Spin 2                 Sum                Diff
s                                      0              0.3340              0.4050              0.7389             -0.0710
s                                      1              0.9128              0.9177              1.8305             -0.0049
s                                      2              0.0488              0.0575              0.1063             -0.0087
s                                      3             -0.0004             -0.0008             -0.0012              0.0004
SUM OVER M+Zeta                                       1.2952              1.3793              2.6745             -0.0841

pz                                     0              0.9948              0.9949              1.9897             -0.0001
px                                     0              0.9948              0.9949              1.9897             -0.0001
py                                     0              0.9948              0.9949              1.9897             -0.0001
SUM OVER M                                            2.9844              2.9847              5.9692             -0.0003
pz                                     1              0.0787              0.0982              0.1769             -0.0195
px                                     1              0.0787              0.0982              0.1769             -0.0195
py                                     1              0.0787              0.0982              0.1769             -0.0195
SUM OVER M                                            0.2361              0.2946              0.5307             -0.0585
SUM OVER M+Zeta                                       3.2205              3.2793              6.4999             -0.0588

dz^2                                   0              0.3840              0.8753              1.2593             -0.4914
dxz                                    0              0.6330              0.8028              1.4359             -0.1698
dyz                                    0              0.6330              0.8028              1.4359             -0.1698
dx^2-y^2                               0              0.3840              0.8753              1.2593             -0.4914
dxy                                    0              0.6330              0.8028              1.4359             -0.1698
SUM OVER M                                            2.6671              4.1591              6.8262             -1.4921
dz^2                                   1              0.0015             -0.0022             -0.0007              0.0037
dxz                                    1             -0.0049             -0.0031             -0.0080             -0.0017
dyz                                    1             -0.0049             -0.0031             -0.0080             -0.0017
dx^2-y^2                               1              0.0015             -0.0022             -0.0007              0.0037
dxy                                    1             -0.0049             -0.0031             -0.0080             -0.0017
SUM OVER M                                           -0.0116             -0.0138             -0.0254              0.0022
SUM OVER M+Zeta                                       2.6555              4.1454              6.8008             -1.4899

fz^3                                   0              0.0012              0.0016              0.0029             -0.0004
fxz^2                                  0              0.0019              0.0022              0.0041             -0.0003
fyz^2                                  0              0.0019              0.0022              0.0041             -0.0003
fzx^2-zy^2                             0              0.0023              0.0026              0.0049             -0.0002
fxyz                                   0              0.0010              0.0006              0.0016              0.0004
fx^3-3*xy^2                            0              0.0016              0.0020              0.0036             -0.0004
f3yx^2-y^3                             0              0.0016              0.0020              0.0036             -0.0004
SUM OVER M                                            0.0116              0.0132              0.0248             -0.0016
SUM OVER M+Zeta                                       0.0116              0.0132              0.0248             -0.0016

SUM OVER M+Zeta+L                                     7.1828              8.8172             16.0000             -1.6344

Total Charge on atom:                 Fe             16.0000
Total Magnetism on atom:              Fe             -1.6344


