There was lots of discussions recently about magnetic moments on the list.

Most likely your calculation is not fully converged.

What is

grep :MMT *scf

Is it completely constant at the end ?

grep :DIS *scf

Continue with runsp with a better -cc value


On 09/12/2017 03:34 PM, mostefa djermouni wrote:
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 mB.
Please explain me why this extra moment of 0.097 mB.

Thank you in advance.

-------------------------------------------------------
Dr. Mostefa DJERMOUNI
Laboratoire de Physique Computationnelle des Matériaux -LPCM-
Université Djilali Liabès de Sidi Bel-Abbès 22000 Sidi Bel-Abbès, Algérie
Tél: +213 795 626 105
-------------------------------------------------------


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