Il giorno 14/feb/2011, alle ore 14.18, Srijan Kumar Saha ha scritto: > > > Where is the proof that the final symmetry is different from the initial > one? < > > Here goes more direct proof: > > Initial symmetry : 48 Sym.Ops. (with inversion). > Final symmetry : 6 Sym.Ops. (no inversion).
Where did you get this information from? Was it printed by the code? I never saw a printout of the "Final symmetry", but maybe I am wrong and the code computes and prints it. Which version of the code are you using? > > > I think that you should not pay attention to differences of the order of > 10^-9, < > > If we compare the final & initial positions given in my previous email, then > we can see that > the differences are quite large.
