Dear Gabriele, Thank you very much for your reply.
>Do you mean "Warning: symmetry operation #N not >allowed"? This is not an >error, but simply a warning, Yes, it is. >I doubt that this would cause the program to stop. But it stops a process in the mpi running. > All. How can I constrain the system just ignore symmetry operations wrt the xoy plane (because the z coordinates change)? Bests, m. -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20101124/00887eed/attachment.htm
