[QE-users] different values of total and absolute magnetization for ferromagnetic Fe

[Pooja Vyas]

Dear users,
I carried out vc-relax and scf calculations for ferromagnetic iron.
However, in the output, the value of total magnetization is 2.18 Bohr
mag/cell and that of absolute magnetization is 2.30 Bohr mag/cell. Ideal
values for both for a ferromagnetic material should be equal, but why is
there a difference between both the values? Are the values correct? If yes,
what is the reason for the difference in the values?
Attached below are the input and output files.




*Pooja,*
*Research Scholar,*
*MKBU,*
*Bhavnagar,*
*Gujarat,*
*India.*
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