[QE-users] electron lifetimes plus electron band in k-space

Lorenzo Paulatto lorenzo.paulatto at sorbonne-universite.fr
Mon Sep 6 10:05:19 CEST 2021


Hello Roc,
electron lifetime cannot exist in single-particle Kohn-Sham method, you need some beyond-KS method, they tend to be have different pros and cons but generally they are quite complicated and computationally expensive. All of them are implemented in the QE distribution, directly or via some tightly coupled code.

You've better check literature and textbooks first to clear your ideas and understand what you really need.
kind regards
Dr. Lorenzo Paulatto
IdR @ IMPMC - CNRS UMR 7590 & Sorbonne Université
phone: +33 (0)1 442 79822 / skype: paulatz
http://www.impmc.upmc.fr/~paulatto/ (https://link.getmailspring.com/link/4A59D69D-6CD7-489E-B471-C33E45733BB7@getmailspring.com/0?redirect=http%3A%2F%2Fwww.impmc.upmc.fr%2F~paulatto%2F&recipient=dXNlcnNAbGlzdHMucXVhbnR1bS1lc3ByZXNzby5vcmc%3D) - https://anharmonic.github.io/ (https://link.getmailspring.com/link/4A59D69D-6CD7-489E-B471-C33E45733BB7@getmailspring.com/1?redirect=https%3A%2F%2Fanharmonic.github.io%2F&recipient=dXNlcnNAbGlzdHMucXVhbnR1bS1lc3ByZXNzby5vcmc%3D)
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On Sep 6 2021, at 5:23 am, 526587466--- via users <users at lists.quantum-espresso.org> wrote:
> Dear All,
>
> How to obtain the electron lifetimes in the K-space, to plot a picture with electron band structures (along some high symmetry points) plus the corresponging electron lifetimes by QE.
>
> Thanks.
>
> Best regard,
>
> Roc.
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