Category ATOM_SITE_MOMENT_SPECIAL_FUNC

Name:
'ATOM_SITE_MOMENT_SPECIAL_FUNC'

Parent category:
MAGNETIC

Definition:

   
     Data items in the ATOM_SITE_MOMENT_SPECIAL_FUNC category record
     details about the magnetic modulation of an atom site in a
     modulated structure when it is not described by Fourier series.
     Special functions are effective in some cases where the
     modulations are highly anharmonic, since the number of parameters
     is drastically reduced. However, they are in general
     discontinuous or with discontinuous derivatives and therefore
     these functions describe an ideal situation that never occurs in
     a real modulated crystal. Up to now, only a few types of special
     functions have been used and all of them come from the JANA suite
     of programs. Although this approach is far from being general, it
     has the advantage that the functions are tightly defined and
     therefore the relevant parameters can be  calculated easily. In
     this dictionary, only the special functions  available in
     JANA2000 have been included. These are:  (1) Sawtooth functions
     for atomic displacive modulation along x, y and z.  (2)
     Crenel functions for the occupational modulation of atoms
     and rigid groups. Both of these only apply to
     one-dimensional modulated structures.

     Analogous tags: _atom_site_displace_special_func.*,
     _atom_site_occ_special_func.*

Category is of type Loop

Category key:
_atom_site_moment_special_func.atom_site_label