Dear wangwei
> What is the meaning of the files named a2F.dos.1,..., a2Fdos.10?
alpha^2F: alpha^2 means electron-phonon coupling strength, and F means phonon
density of states.
Normally, we call this function as "Eliashberg function" in metallic system. In
the formulation of a^2F, you see the delta functions and it's to be treated by
Gaussian in espresso, and then we should have the smearing width of broadening.
The number attached with a2F.dos.* correspond to the each width.
a2Fdos file shows the a^2F as the function of phonon frequency.
> which file can be used to plot a2F(omega) vs. omega function curve and how to
> plot it?
The best one is depending on the accuracy in your calculations.
I'would say, check the convergency of lambda with respect to the number of
k-points in el-ph calculation, Gaussian smearing width, as well as typical
checks before el-ph calculation (the convergency of phonon frequency and total
electronic energy against Ecut and k-poins, smearing width...and so on.)
As for the plotting, you can select whatever you want to use, such as gnuplot.
Best Regards.
Haruhiko Dekura
On 2010/07/23, at 14:15, wangwei wrote:
> Dear sir,
>
> I want to calulate phonon properties, including phonon dispersion, dos,
> el-ph
> coupling, and a2F(omega),
>
> now I have 4 questions (the version I used is 4.04):
>
> 1. What is the meaning of the files named a2F.dos.1,..., a2Fdos.10?
>
> 2. What is the meaning of the files named a2Fmatdyn51,...,matdyn60?
>
> 3. how can I plot phonon dispersion using the file of case.freq?
>
> 4. which file can be used to plot a2F(omega) vs. omega function curve and how
> to
> plot it?
>
>
> Thanks for any reply!
>
> Best wishes!
>
> wangwei
> Huaibei Normal University
>
>
>
>
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