Definitely, this error means that No.1 and No.2 atoms were at same or very close position. You'd better check your ATOMIC_POSITIONS instead of changing ibrav. Without your "input" file, I cannot tell any thing detailed.
-- GAO Zhe CMC Lab, MSE, SNU, Seoul, S.Korea At 2011-09-17 19:57:19,"ramesh kumar" <raamesh123 at rediffmail.com> wrote: Dear All I am trying to make a tetragonal supercell with 32 atoms but got this error from check_atoms : error # 1 atoms # 1 and # 2 overlap! I tried searching forum got the answer like because of the equivalent atom positions it shows the error. So i tried to use p1 space group (triclinic cell) but i am unable to get rid of the error. Anyboday faced this problem earlier please help me in this regard... Thankyou With regards K. Ramesh Kumar Research Scholar Department of Physics IIT-Madras Chennai-600 036 Treat yourself at a restaurant, spa, resort and much more withRediff Deal ho jaye! -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20110917/76715521/attachment.htm