Discrepancy in atomic magnetisations

[laitvo]

I followed task 1 as described in the “let’s play” module.

The results of an ‘scf’ calculation gave the magnetic moments per atom of ±1.59 𝜇B, Löwdin charge analysis
(‘projwfc’, −4 to +42 eV of kinetic energy) gives somewhat larger values of polarisation, that is, ±1.85 𝜇B.
Either or both values agree to give the zero net magnetisation of an antiferrimagnetic phase; the absolute cell
magnetisation reads |3.41| 𝜇B.

What may be the reason for the discrepancies in the above atom magnetisation values, please?

[Author]

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