Dear All Thankyou very much for all the replies. the problem about overlap of atoms is solved. That was a input file mistake instead of crystal i used alat. And instead of elongate c axis i wrongly made a axis to elongate thankyou for all the suggestions.
with regards ramesh 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/20110918/5b68228f/attachment.htm
