[Pw_forum] Documentation on El-Ph coupling

[Eyvaz Isaev]

Dear Liu,

--- On Tue, 5/12/09, DdrSmiLe <ddrsmile at gmail.com> wrote:

> Would your code print out the T_c?
> If so, where would it be printed?

Without any doubts, if everything went properly. You can find T_c printed after lambda.x finished. 
 
> My major is not chemistry or physics, but I'm doing job
> related to them. Therefore, there are too many things confuse me.
> 
Then yo should read some solid state textbooks (Kittel, Ashcroft-Mermin, Zaiman, Ricahrd Martin, Harrison, Kohanoff, Kantorovich, etc.)
This will help you not to be confused.

Please provide your affiliation when post a question to this forum.

Bests,
Eyvaz.


> 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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