Thank you Prof Blaha for your quick answer.

The Ni atom is 3d transition metal . But my question is about the
simulation of the paramagnetic state. There are many people that considere
that the paramagnetic state is the non-spin polarierd one and the magnetic
moment is zero, but you say no and the magnetic moments exist in arbitrary
directions and my quoting is about that.

I have given 2 examples for that discrepancy with your statement.

Best regards
Mr: A.Reggad
Laboratoire de GĂ©nie Physique
Université Ibn Khaldoun - Tiaret
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