[Pw_forum] negetive phonon dispersion

Min Hong m.hong1 at uq.edu.au
Tue May 2 09:44:15 CEST 2017


Dear QE users,


I calculated the phonon dispersion for AgSbTe2. Attached shows the the input file and the result.


Phonon dispersion is zero at Gamma point, but is negative at other points.


Phonon dispersion at other points should be positive.


Could you help to solve this problem?


Kind regards,


Min



School of Mech & Mining Engineering, University of Queensland, Australia.

-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20170502/2ae6fc9d/attachment.html>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: PH.jpg
Type: image/jpeg
Size: 91521 bytes
Desc: PH.jpg
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20170502/2ae6fc9d/attachment.jpg>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: AgSbTe2
Type: application/octet-stream
Size: 3432 bytes
Desc: AgSbTe2
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20170502/2ae6fc9d/attachment.obj>


More information about the users mailing list