11.11.2016 02:06, Abderrahmane Reggad wrote:
my question is about the determination of the magnetic
ground state .
Is it necessary the minimization of the atomic positions for this purpose?

When you make a calculation you take _a_model_ instead of an actual sample. The choice of the model usually takes 80 % of the whole time for solving the problem: which phenomena may be neglected, and which should be necessarily taken into account.
So, to answer your question means to make the work.

Best wishes
  Lyudmila Dobysheva
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