[Wien] Minimization before Volume Optimization ?

[Lyudmila Dobysheva]

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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