Dear all, I work on magnetic spinel structures of the form AB2O4 (i.e MnFe2O4) . I encounter problems defining the lattice in the lattice.xml input file due to the complexity of the system. I wonder if there is someone else working in the same project and can share the lattice description. Kind regards Vassilis Tangoulis ----------------------------------------------------------------------- Dr. Vassilis Tangoulis Aristotle University of Thessaloniki Department of Chemistry Laboratory of Inorganic Chemistry GR - 54 124 Thessaloniki, GREECE Tel:  + 30 - 2310 - 99 76 76 Fax:  +30 - 2310 - 99 77 38 -----------------------------------------------------------------------