CCL: charge cavity in a continium model



 Sent to CCL by: "Walter  Ca  on" [wcanon._+_.ciq.uchile.cl]
 Their CCL subscribers,
 I have the following problem, I have an inorganic molecule with a charge of -12,
 in which the metal centres (vanadium) are V(IV). I am trying to optimized this
 structure with different ratios of V(IV) and V(V) centers, because the majority
 of this systems have different ratios between V(V) and V(IV). I have try to
 optimized these structures with G09, siesta and ADF, but I haven reach a good
 end.
 I have an idea of using some kind of charge cavity like a solvent model, but
 with charge to get neutral charge for the system, does anyone knows if this is
 possible with one of the three programs I mentioned before?
 Thanks in Advance.
 Walter