[QE-users] mechanical stability under pressure from phonons

Uri Argaman argamanu at post.bgu.ac.il
Tue Jan 12 09:46:15 CET 2021


Thank you very much for your answer Prof. Marzari

However, I still do not understand something. Elastic constants are
equivalent to phonons in the long-wavelength limit. Thus, if the stability
condition using elastic constants have explicitly the pressure, also the
stability condition using phonons should have  explicitly the pressure. Is
the pressure cancelled out in some way?
I do not understand it from Grimvall and I do not find any citation on this
matter.

Uri Argaman
Ben-Gurion University
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20210112/b24542c0/attachment.html>


More information about the users mailing list