Dear Savita, Clearly 5 images are not sufficient.....also right now you are asking the code to interpolate the path for you by mentioning only the initial & final state....unfortunately the interpolated path is not a good starting guess......if you look at the path using xcrysden, in the second image, both the CO & O are getting detached from the surface......So I would suggest that you mention the starting path explicitly.....
You can refer to the following paper to get an idea of the reaction pathway....Phys. Rev. Lett. 80, 3650?3653 (1998) Hope this helps.... Prasenjit -- PRASENJIT GHOSH, Assistant Professor, IISER Pune, First floor, Central Tower, Sai Trinity Building Garware Circle, Sutarwadi, Pashan Pune, Maharashtra 411021, India Phone: +91 (20) 2590 8203 Fax: +91 (20) 2589 9790 -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20110418/083b4cd1/attachment.htm
