Dear all QE users, I'm using QE to calculate phonon dispersion relations and Phonon DOS. For phonon DOS, when I use the k-path provided in the tutorial for FCC structure, I obtained a reasonable result. However when I used the k-path generated by tetra.x, I got a weird phonon dispersion relation. Is that normal?
Also, I would like to create a ttrinp file for orthorhombic base center lattice which is not provided with the code. Does anyone know where I can find it or provide instruction on how to built it? Thank you in advance for your help. Seiha, Ph.D student, Department of Material Science and Engineering, MIT. -------------- next part -------------- An HTML attachment was scrubbed... URL: http://pwscf.org/pipermail/pw_forum/attachments/20140826/7f9095ad/attachment.html
