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