Hello Mostefa, I am glad the code finally worked for your installation.
I would suggest to try BiCoO3 first without the spin polarization. The spin polarization is presently not captured in BerryPI. Could you please expand on why do you need SP? I never used DFT+U, so I cannot make a comment at the moment. Let me take a look. Thank you Oleg >>> On 1/6/2013 at 12:48 PM, in message <1357494529.9587.YahooMailNeo at web172102.mail.ir2.yahoo.com>, mostefa djermouni <djermouni_mostefa at yahoo.fr> wrote: > Dear Oleg Rubel, > > Thanks for your interesting, I have worked with BerryPI-code and I tried the > tutorials. > > I have tried to calculate the polarisation of BiCoO3 in Tetragonal-AFM-C-type > but I think the spin polarization is didn't take into account with this > BerryPI-code, what shall I do in this case? And How can I calculate with > DFT+U ? > > Thank you very much for your kind cooperation. > > > > ------------------------------------------------------- > Mostefa DJERMOUNI > Modeling and Simulation in Materials Science Laboratory > University of Sidi Bel-Abbes > 22000 Sidi Bel-Abbes, Algeria > Tel: +213 795 626 105 > -------------------------------------------------------