[Pw_forum] Documentation on El-Ph coupling

[Eyvaz Isaev]

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/>,/
> 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/
> 
> _______________________________________________
> Pw_forum mailing list
> Pw_forum at pwscf.org
> http://www.democritos.it/mailman/listinfo/pw_forum


      
-------------- next part --------------
A non-text attachment was scrubbed...
Name: elphon.tar.gz
Type: application/x-gzip
Size: 12260 bytes
Desc: not available
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20090506/da1ea1e9/attachment.bin>