Yes, if Ef is in the gap then you would get an integer MM

Is Ef in the gap?

Is it well converged?


Pablo

________________________________
De: Wien <wien-boun...@zeus.theochem.tuwien.ac.at> en nombre de Mostefa 
<djermouni_most...@yahoo.fr>
Enviado: sábado, 9 de septiembre de 2017 05:09:58 a. m.
Para: wien@zeus.theochem.tuwien.ac.at
Asunto: Re: [Wien] Wien Digest, Vol 142, Issue 3

Dear Peter BLAHA and Wien2k users,

I have calculated a diluted magnetic semiconductor DMS, and l have found 
ferromagnetic semiconductor with a narrow gap at E_f; basically this situation 
give us an integer total magnetic moment (MMT), but in my case, I have found 
MMT=3.097 ub.
Please explain me why this extra moment of 0.097 ub.

Thank you in advance.
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