Hi all, I would like to converge my system but I acn se that if I vary a single parameter also there is a huge variation in result. For example, when I kept the cell _parameter as 1 0 0 1 1.5 0 1 0 1.5
the total energy seems to change from 0.087 eV to 0.601 eV . Can anybody please advice me ? Thanks Shapt Pune University Pune India -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20100525/7ae6da21/attachment.htm
