[Pw_forum] a2Fq2r files - electron-phonon coupling

[Paolo Giannozzi]

On Fri, 2014-03-14 at 09:32 +0530, Sridhar Sadasivam wrote:

> Prof. Giannozzi, you had answered that they contain the
> electron-phonon coupling matrix elements [...] could you
> please explain the format of these files? 

no: I don't want to hear about electron-phonon coefficients

> I also don't understand why the coupling matrix elements would depend
> on broadening values.

why do you think that coupling matrix elements depend upon the
broadening? they don't. Where do you see it?

P.

>  For example, if you look at the definition of the electron-phonon
> coefficients in the link below (see Equation 1 in Appendix), it does
> not have any delta functions. Only the line width (and the Eliashberg
> function, lambda) have delta functions in them and hence would depend
> on the choice of broadening parameter. 
> 
> 
> http://www.quantum-espresso.org/wp-content/uploads/Doc/ph_user_guide.pdf
> 
> 
> 
> I am very confused and I would really appreciate any sort of help.
> Thanks a lot,
> Sridhar
> Purdue University
> 
> 
> On Thu, Mar 13, 2014 at 10:53 AM, Sridhar Sadasivam
> <sridhu88 at gmail.com> wrote:
>         Hello,
>         
>         
>         I have a question about electron-phonon coupling in Quantum
>         Espresso. When ph.x is run with electron-phonon coupling (la2F
>         = .true.), it outputs a series of files a2Fq2r.* (* = 51-60).
>         Could someone explain what exactly is contained in these
>         files? Do they contain the electron-phonon coupling matrix
>         elements?
>         
>         
>         I did not find much information on this in the documentation.
>         Thank you!
>         Sridhar
>         Purdue University
> 
> 
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-- 
 Paolo Giannozzi, Dept. Chemistry&Physics&Environment, 
 Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
 Phone +39-0432-558216, fax +39-0432-558222