Dear Paolo, Yes. I've done it. It looks good. Regards, Koroteev Victor On Fri, 23 Apr 2010 18:14:35 +0800, Paolo Giannozzi <giannozz at democritos.it> wrote: > Vit wrote: > >> I've double checked all the input, but nothing helps. > > did you visualized your structure with xcrysden? are you > sure it is the correct one? > > P. --