[Pw_forum] Question about tetra.x in QHA package

Sokseiha Muy sokseiha at mit.edu
Tue Aug 26 20:45:53 CEST 2014


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://lists.quantum-espresso.org/pipermail/users/attachments/20140826/7f9095ad/attachment.html>


More information about the users mailing list