[Pw_forum] About Electron-Phonon Coupling matrix element in QE4.2.1
Eyvaz Isaev
eyvaz_isaev at yahoo.com
Wed Jan 5 08:57:55 CET 2011
----- Original Message ----
From: 程迎春 <yccheng.nju at gmail.com>
>>In addition, I guess " 0.318816E-08 0.318816E-08 0.318816E-08"
>>are the elctron-phonon coupling matrix elements.
>
> No, they are frequencies in Ry.
Please see previous mail correction to this answer (Ry^2, not Ry).
>
> I am not sure about they are frequencies
You are almost right, see above, as I missed (^2).
I have just checked again
13.6058*8065.5*sqrt(0.185711)/sqrt(10^5) = 149.54579
In my calculations : 13.6058*8065.5*sqrt(0.185683)/sqrt(10^5) = 149.5345
(149.534340 in dyn3-file)
> the value in second line are not EPC matrix elements, where can I find them?
I am not sure, you can find them printed, please have a look at elphon.f90 file
(elphel subroutine inside), but EPC constant, lambda, can be found in
lambda-file.
Bests,
Eyvaz.
-------------------------------------------------------------------
> Prof. Eyvaz Isaev,
> Department of Physics, Chemistry, and Biology (IFM), Linkoping University,
> Sweden
>
> Theoretical Physics Department, Moscow State Institute of Steel & Alloys,
> Russia,
>
> isaev at ifm.liu.se, eyvaz_isaev at yahoo.com
>
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