On Friday 14 August 2009 07:55, Bipul Rakshit wrote: > I am doing Gamma point phonon analysis for LaMnO3, > after running matdyn.x i am getting the following, error.
you calculated phonons at q=0 only, so all you can and should do is to run dynmat.x (not matdyn.x) to apply the acoustic sum rule and to calculate lo-to splitting. Paolo -- Paolo Giannozzi, Democritos and Udine University
