Dear all, I get the following message after running a phonon dispersion calculation for graphite.
**************************************************************************************************** message from matdyn routine Z* not found in file graphite.fc, TO-LO splitting at q=0 will be absent A direction for q was not specified: TO-LO splitting will be absent ************************************************************************* I thought the solution would be to include epsil = .true. in the ph input file, but that makes the calculation crash at that step. Also, I'm not quite sure what it means by "direction of q not specified". my q inputs in the matdyn.in file look fine (gamma-K-M-gamma) and they actually do produce a dispersion plot, but it has more branches than are physically allowed, and they are quite jagged. I would appreciate some help. thanks in advance. - Mikiyas Tsegaye University of Virginia, Dept of ECE Carlottesville, VA, USA -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20090728/685a61f8/attachment.htm
