<html><body style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space; ">Dear all,<div><br></div><div>I get the following message after running a phonon dispersion calculation for graphite. </div><div><br></div><div>****************************************************************************************************</div><div><span class="Apple-style-span" style="font-family: Verdana; ">message from matdyn routine<div><br><br></div><div>Z* not found in file graphite.fc, TO-LO splitting at q=0 will be absent</div><div>A direction for q was not specified: TO-LO splitting will be absent</div><div><br></div><div>*************************************************************************</div><div><br></div><div>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. </div><div><br></div><div>I would appreciate some help. thanks in advance.</div><div><br></div><div>- Mikiyas Tsegaye</div><div> University of Virginia, Dept of ECE</div><div> Carlottesville, VA, USA </div></span></div></body></html>