[Pw_forum] Interpretation of the electron phonon results.

[German Samolyuk]

The answer sounds little bit confusing.
According to reference arxiv:cond-mat/0504077v2,
The converged value corresponds to minimal possible broadening, which still
guarantee the convergence with respect  to number of k-points.

Could you please clarify this question?
I also would really appreciate if authors explain some notification in the
manuscript.

If I take as a prototype example03 from PHonon directory:

1) Does the notification in figure 9 k=16->64 means: 16x16x16 kpoints grid
in al.scf.in and 64x64x64 in file al.scf.fit.in?
2) Does the notification in Figures 10,11 q=8->20 means: 8x8x8 q points
grid in files al.elph.in and 20x20x20 in input file matdyn.in.dos?

Thank you,

German Samolyuk
ORNL

On Mon, Oct 6, 2014 at 4:27 AM, Lorenzo Paulatto <
lorenzo.paulatto at impmc.upmc.fr> wrote:

>  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: paulatzhttp://www.impmc.upmc.fr/~paulatto/
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>
>
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