[Wien] external magnetic field

Bahram Abedi abedi527 at gmail.com
Tue Jul 28 00:23:53 CEST 2009


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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