[Wien] external magnetic field

[Pavel Novak]

Dear colleague,

including the external magnetic field in WIEN2k has very similar effect to 
the frozen spin method: it shifts majority (minority) spin states by
-mu_B*B_ext (+mu_B*B_ext). The difference is that the term mu_B*L is added 
to the Hamiltonian in the atomic spheres.

Regards
Pavel Novak 
On Tue, 28 Jul 2009, Bahram Abedi wrote:

> Dear wien users,
> I'm trying to check the effect of an externally applied magnetic field
> on some simple metals (following the procedure given in section 7.2 of
> the usergiude). The problem is that I don't see any changes in the
> calculated properties (dos, magnetic moment, etc.) under application
> of the field
> with respect to the time that no field is applied.
> Can you please tell me if this is okey? If not, what is wrong with my
> calculation?
> 
> For instance, my case.inorb & case.indm files for the 3d orbital of Fe
> are given below:
> 
> ================== Fe.inorb =====================
>   3  1  0                     nmod, natorb, ipr
> PRATT  1.0                    BROYD/PRATT, mixing
>   1 1 2                       iatom nlorb, lorb
>   8.                          Bext
>   0. 0. 1.                    direction
> ==============================================
> 
> ================== Fe.indm =====================
> -9.                      Emin cutoff energy
>  1                       number of atoms for which density matrix is calculated
>  1  1  2      index of 1st atom, number of L's, L1
>  0  0         r-index, (l,s)index
> ==============================================
> 
> Regards,
> Bahram Abedi.
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