Hi,
I am still in trouble with my unitcell and lattice. My unitcell is
defined as follows
<UNITCELL name="dimerZ" dimension="3">
<VERTEX type="1"> <COORDINATE> 0 0 0</COORDINATE> </VERTEX>
<VERTEX type="2"> <COORDINATE> 0 0 1 </COORDINATE> </VERTEX>
<EDGE type="0"><SOURCE vertex="1" offset="0 0 0"/><TARGET vertex="2"
offset="0 0 0"/></EDGE>
<EDGE type="1"><SOURCE vertex="1" offset="0 0 0"/><TARGET vertex="1"
offset="1 0 0"/></EDGE>
<EDGE type="2"><SOURCE vertex="2" offset="0 0 0"/><TARGET vertex="2"
offset="1 0 0"/></EDGE>
<EDGE type="1"><SOURCE vertex="1" offset="0 0 0"/><TARGET vertex="1"
offset="0 1 0"/></EDGE>
<EDGE type="2"><SOURCE vertex="2" offset="0 0 0"/><TARGET vertex="2"
offset="0 1 0"/></EDGE>
</UNITCELL>
and describes 2 spins oriented ALONG THE Z axe. In order to have one
layer of these pairs AND structure factor results in 3D with sse, I
choose a 3D cubic lattice of height 1. (If I choose a 2D cubic lattice,
I just get e.g. (pi, pi) structure factor and not (pi,pi,X)).
The problem : the structure factor results are only (X,X,0) results. I
do not have for example (pi,pi,pi) SF whereas my system is really 3D.
Any help to understand why is welcome ! Thanks,
Jean-David