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

2021-09-06 Thread Lorenzo Paulatto
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-c33e45733...@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-c33e45733...@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 
 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.
> ___
> Quantum ESPRESSO is supported by MaX (www.max-centre.eu)
> users mailing list users@lists.quantum-espresso.org
> https://lists.quantum-espresso.org/mailman/listinfo/users

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

2021-09-05 Thread 526587466--- via users
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.
___
Quantum ESPRESSO is supported by MaX (www.max-centre.eu)
users mailing list users@lists.quantum-espresso.org
https://lists.quantum-espresso.org/mailman/listinfo/users