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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