[Pw_forum] a2Fq2r files - electron-phonon coupling

[Sridhar Sadasivam]

Dear Prof. Giannozzi,

Thanks for your reply. Yes the coupling matrix elements do not depend on
the broadening. I agree.

My problem is this: how to extract the raw electron-phonon matrix elements
from Quantum Espresso? I understand how to obtain related quantities such
as phonon line widths and Eliashberg function. But I would like to obtain
the raw matrix elements. Is this possible and has anyone done it before?

Thanks,
Sridhar



On Fri, Mar 14, 2014 at 3:33 PM, Paolo Giannozzi
<paolo.giannozzi at uniud.it>wrote:

> 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
>
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