Dear Users and Developers Recently I have performed a phonon calculation on an ZrV2O7 on 2x2x2 q grid. I used q2r.x and matdyn.x to calculate the interpolated phonon frequencies at other q points in Brillouin zone. However I am getting a message while executing matdyn.x " Max |d(i,j)-d*(j,i)|/D(i.j) " more than 300% should I continue with this much non-hermitianty in the dynamical matrix. I googled it but could not et any satisfactory answer. Please guide me regarding this issue. The interpolated low energy phonon frequency are how much affect with this.
Thanks --with best regard Mayank Ph.D. Student Solid State Physics Division BARC MUMBAI, INDIA -------------- next part -------------- An HTML attachment was scrubbed... URL: http://pwscf.org/pipermail/pw_forum/attachments/20140513/9a973f02/attachment.html
