[Pw_forum] one Question

[Altaf Ur Rahman]

Dear Experts
I have 64 atom super cell of an a and b atom. I doped 4*4*1  supercell with
N atom then *scf.out* shows that local magnetic moment of *N-atom as
MM=2.51* but when i calculated* pdos.out* it shows MM of *N atom as MM=2.79
*so my question as which one is reliable?

Thanks in advance

Altaf Ur Rahman
PhD Student
Department of Physics
Quaid-i-Azam University Islamabad Pakistan
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