It is currently Sat Mar 28, 2020 6:06 pm

Tell a friend!


Post new topic Reply to topic  [ 2 posts ] 
electron-phonon coupling at Gamma point 
Author Message

Joined: Tue Oct 17, 2017 3:40 pm
Posts: 2
University: CINAM Marseille
Antispam: Yes
Reply with quote
Post electron-phonon coupling at Gamma point
Dear all

I have a simple question about the electron-phonon coupling at Gamma point.
In inhomogeneous systems, for example layered materials, the phonon frequencies and
the electron-phonon coupling at Gamma depend from the direction where they are calculated.

How this direction is decided in EPW?

best
Claudio Attaccalite


Fri Nov 29, 2019 10:24 am
Profile
Site Admin
User avatar

Joined: Wed Jan 13, 2016 7:25 pm
Posts: 578
University: EPFL
Antispam: No
Reply with quote
Post Re: electron-phonon coupling at Gamma point
Dear Claudio,

Sorry for the very late reply.

Exactly at \Gamma, its not decided. The code returns the value of \omega and g without the non-analytical part (exactly what you get from a direct DFPT calculation at \Gamma).

For info, the tolerance on "exactly \Gamma" is 1E-8 in crystal unit.

Hope this helps,
Best,
Samuel

_________________
Dr. Samuel Poncé
Institute of Materials
École Polytechnique Fédérale de Lausanne (EPFL)
Switzerland
Web: https://www.samuelponce.com


Fri Jan 24, 2020 9:13 am
Profile
Display posts from previous:  Sort by  
Post new topic Reply to topic  [ 2 posts ] 


Who is online

Users browsing this forum: No registered users and 1 guest


You cannot post new topics in this forum
You cannot reply to topics in this forum
You cannot edit your posts in this forum
You cannot delete your posts in this forum

Search for:
Jump to:  
cron
Powered by phpBB © phpBB Group.
Designed by Vjacheslav Trushkin

(All content on this board is governed by and is the sole responsibility of the board administrator.)