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 -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20110917/7c0bc34c/attachment.htm