[Pw_forum] Documentation on El-Ph coupling

[DdrSmiLe]

Hi Eyvaz lsaev
I've tried your files. Thank you for your sharing.
I have some question as following.
Would your code print out the T_c?
If so, where would it be printed?
if not, what's the extra procedure?
Sorry for asking such basic questions.
My major is not chemistry or physics, but I'm doing job related to them
Therefore, there are too many things confuse me.

Thank you  for your helping

Joey, Liu

2009/5/7 Eyvaz Isaev <eyvaz_isaev at yahoo.com>

> Hi,
>
> Sorry for empty mail, unexpectedly I clicked on Send button.
>
> Well, I think attached files are what you need. The first one (modified
> elphon.f90) writes special files, and the second one uses these files to
> find lambda and then T_c via the Allen-Dynes equation (\omega_log instead of
> the Debye temperature).
>
> In fact, recently I suggested to change original elphon.f90 and lambda.f90
> files with those (at least, include changes), but I do not know whether this
> suggestion was accepted by developers.
> Attached elphon.f90 worked for QE 4.0.4, at least.
>
> Any questions, please contact me.
>
> Bests,
> Eyvaz.
>
> -------------------------------------------------------------------
> Prof. Eyvaz Isaev,
> Theoretical Physics Department, Moscow State Institute of Steel & Alloys,
> Russia,
> Department of Physics, Chemistry, and Biology (IFM), Linkoping University,
> Sweden
> Condensed Matter Theory Group, Uppsala University, Sweden
> Eyvaz.Isaev at fysik.uu.se, isaev at ifm.liu.se, eyvaz_isaev at yahoo.com
>
>
> --- On Wed, 5/6/09, David Tompsett <dat36 at cam.ac.uk> wrote:
>
> > From: David Tompsett <dat36 at cam.ac.uk>
> > Subject: [Pw_forum] Documentation on El-Ph coupling
> > To: pw_forum at pwscf.org
> > Date: Wednesday, May 6, 2009, 4:30 PM
>  > Dear All,
> >              I am interested in calculating the
> > electron-phonon coupling
> > of a metallic system in QE. I would like to then apply the
> > McMillan
> > formula for the prediction of the superconducting Tc.
> >
> > In the basic tutorials list, /Hands-on Tutorial of Quantum
> > Espresso
> > <http://www.fisica.uniud.it/%7Egiannozz/QE-Tutorial/<http://www.fisica.uniud.it/~giannozz/QE-Tutorial/>
> >,/
> > I could find
> > examples on the El-ph calculation for Aluminium at X. Is
> > there any
> > further documentation available to indicated on how to find
> > the
> > integrated lambda and wlog that enter the McMillan formula
> > for Tc?
> >
> > Thank you,
> > David.
> >
> > --
> > David A. Tompsett
> > Quantum Matter Group
> > Cavendish Laboratory
> > J. J. Thomson Avenue
> > Cambridge CB3 0HE
> > U.K.
> > Tel: +44 7907 566351 (mobile)
> > Fax: +44 1223 768140
> > http://www-qm.phy.cam.ac.uk/
> >
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>
>
>
>
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