[Pw_forum] Magnetic moment per site VS absolute magnetization

[高淼]

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Dear all,I find in a spin polarized calculation, the quantity named "Magnetic moment per site"
is included in the output file of QE-5.1.
But it seems there is some unconformity between "absolute magnetization" and the summation of absolute values 
of "Magnetic moment per site". For example, in my calculated compound,
the absolute magnetization    =    24.29 Bohr mag/cell.
While the summation of absolute magnetic moment per site gives 21.7 Bohr mag/cell.
The datum of magnetic moment per site are listed below. 
So my question is which one is the right answer?
Any help will be highly appreciated!


Best wishes!
Miao Gao

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     Magnetic moment per site:
     atom:    1    charge:    3.1591    magn:   -0.0052    constr:    0.0000
     atom:    2    charge:    3.1627    magn:    0.0201    constr:    0.0000
     atom:    3    charge:    3.1649    magn:   -0.0001    constr:    0.0000
     atom:    4    charge:    3.1625    magn:   -0.0202    constr:    0.0000
     atom:    5    charge:    3.1584    magn:    0.0051    constr:    0.0000
     atom:    6    charge:   13.9963    magn:   -2.6866    constr:    0.0000
     atom:    7    charge:   13.9945    magn:    2.6864    constr:    0.0000
     atom:    8    charge:   13.9833    magn:   -2.7132    constr:    0.0000
     atom:    9    charge:   13.9814    magn:    2.7131    constr:    0.0000
     atom:   10    charge:   13.9963    magn:   -2.6866    constr:    0.0000
     atom:   11    charge:   13.9945    magn:    2.6864    constr:    0.0000
     atom:   12    charge:   13.9833    magn:   -2.7132    constr:    0.0000
     atom:   13    charge:   13.9814    magn:    2.7131    constr:    0.0000
     atom:   14    charge:    3.1649    magn:   -0.0001    constr:    0.0000
     atom:   15    charge:    3.1625    magn:   -0.0202    constr:    0.0000
     atom:   16    charge:    3.1584    magn:    0.0051    constr:    0.0000
     atom:   17    charge:    3.1627    magn:    0.0201    constr:    0.0000
     atom:   18    charge:    3.1591    magn:   -0.0052    constr:    0.0000

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Postdoctor at Institute of Physics, Chinese Academy of Science.
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