Dear Arthur, maybe it would be easier to help you looking at at least part of the input files. However, one possible explanation could be that you are using the same coordinates of the k or q points in both calculations, but by default one expects some units, the other, different units. For example, as far as I remember (to be checked), matdyn.x requires q-point coordinates in 2 pi / a units, in the case, is that you have provided in the input?
Giovanni -- Giovanni Cantele, PhD CNR-SPIN c/o Dipartimento di Fisica Universita' di Napoli "Federico II" Complesso Universitario M. S. Angelo - Ed. 6 Via Cintia, I-80126, Napoli, Italy e-mail: giovanni.cant...@spin.cnr.it <giovanni.cant...@spin.cnr.it> Phone: +39 081 676910 Skype contact: giocan74 ResearcherID: http://www.researcherid.com/rid/A-1951-2009 Web page: https://sites.google.com/view/giovanni-cantele/home Il giorno mer 19 ott 2022 alle ore 08:58 Arthur Arthur via users < users@lists.quantum-espresso.org> ha scritto: > Dear Users and Developers, > I would like to plot phonons band structure calculated in the following > way: > scf (pw.x) -> ph (ph.x) -> q2r (q2r.x) -> matdyn (matdyn.x) -> plotband > (plotband.x) > > and electron band structure calculated in the following way: > scf (pw.x) -> nscf (pw.x) -> bands (pw.x) -> bands (bands.x) > > Of course, both calculations for the same parameters and k-path generated > using the xcrysden. > Unfortunately, I found the difference in the high-symmetry line (please > see attachment). > For phonons, the line is longer and the positions of K and M are > inconsistent with these obtained for electrons. > > Something is wrong because the high-symmetry line and G-K-M-G positions > should be the same. Where could be a mistake? > > Thank you for your response. > > Arthur > University of Birmingham > > _______________________________________________ > The Quantum ESPRESSO community stands by the Ukrainian > people and expresses its concerns about the devastating > effects that the Russian military offensive has on their > country and on the free and peaceful scientific, cultural, > and economic cooperation amongst peoples > _______________________________________________ > Quantum ESPRESSO is supported by MaX (www.max-centre.eu) > users mailing list users@lists.quantum-espresso.org > https://lists.quantum-espresso.org/mailman/listinfo/users
_______________________________________________ The Quantum ESPRESSO community stands by the Ukrainian people and expresses its concerns about the devastating effects that the Russian military offensive has on their country and on the free and peaceful scientific, cultural, and economic cooperation amongst peoples _______________________________________________ Quantum ESPRESSO is supported by MaX (www.max-centre.eu) users mailing list users@lists.quantum-espresso.org https://lists.quantum-espresso.org/mailman/listinfo/users