Dear all, ?I am working on TiO2 and running scf for this compound, i have not been able to get a convergence. I will be delighted if i can get help on this from any expert. I have with this mail the input file for the scf.
? Adetunji Bamidele Ibrahim(PhD Student) Department of physics,University of Agriculture, Abeokuta, Ogun State,Nigeria. -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20120408/174c0151/attachment.htm -------------- next part -------------- A non-text attachment was scrubbed... Name: TiO2D.scf.in Type: application/octet-stream Size: 611 bytes Desc: not available Url : http://www.democritos.it/pipermail/pw_forum/attachments/20120408/174c0151/attachment.obj
