[Pw_forum] Interpretation of the electron phonon results.

[Lorenzo Paulatto]

If your k point grid is fine enough, if you plot lambda as a function of 
the broadening there is a plateau, i.e. it looks like this:

lambda
^
|\
| \
|   \______    <-- converged value
|                  \
|_________\__> broadening


The correct value of lambda is the one on the plateau


hth


On 10/06/2014 07:11 AM, Elio Physics wrote:
> Hello all,
>
> I have calculated the electron phonon interaction of a system I am 
> working on and got the following results:
>
>  Electron-phonon coupling constant, lambda
>
>  Broadening   0.0050 lambda       0.0004 dos(Ef)  0.0038
>  Broadening   0.0100 lambda       0.0630 dos(Ef)  0.5291
>  Broadening   0.0150 lambda       0.1143 dos(Ef)  1.0535
>  Broadening   0.0200 lambda       0.1077 dos(Ef)  1.4146
>  Broadening   0.0250 lambda       0.0919 dos(Ef)  1.8217
>  Broadening   0.0300 lambda       0.0860 dos(Ef)  2.2762
>  Broadening   0.0350 lambda       0.0911 dos(Ef)  2.7504
>  Broadening   0.0400 lambda       0.1039 dos(Ef)  3.2086
>  Broadening   0.0450 lambda       0.1203 dos(Ef)  3.6247
>  Broadening   0.0500 lambda       0.1368 dos(Ef)  3.9875
>
> I do not really understand how to interpret these results. Do we need 
> to choose only one of those broadening values or should the value of 
> lambda be the same for all of the broadening values, i.e 
> convergence?.....Is there any document or (maybe paper) which can 
> actually help me to understand these numbers. Your help is highly 
> appreciated.
>
>
> Thanks in advance
>
> Elio
> University of Rondonio
> Brazil
>
>
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-- 
Dr. Lorenzo Paulatto
IdR @ IMPMC -- CNRS & Université Paris 6
+33 (0)1 44 275 084 / skype: paulatz
http://www.impmc.upmc.fr/~paulatto/
23-24/4é16 Boîte courrier 115, 4 place Jussieu 75252 Paris Cédex 05

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