The ABINIT Users Mailing List ( CLOSED )

[Andriy Nevidomskyy <ahn22@phy.cam.ac.uk>]

Dear Abinitioners,

Dear Michel Cote,

One of the problems that I am dealing with now  is
the calculation of electron-phonon couplings using ABINIT.
The work is still in progress, so no results are available yet.
However, my impression is that one has to write his/her own code, which
would actulally calculate coupling constants based on the output of ABINIT
and IFC routines.
The latter provide you with phonon modes and first-order wavefunctions
only, which are the main ingredients to be used in further calculations.

Is this correct?

Best regards,
Andriy Nevidomskyy


.------------------------------------------------------------------.
|                        Mr Andriy Nevidomskyy                     |     
|                                                                  |
|     TCM Group, Cavendish Laboratory, University of Cambridge     |   
|          Madingley Road, Cambridge CB3 0HE United Kingdom        |
| Tel:+44-1223-337433,Fax:+44-1223-337356, E-mail: ahn22@cam.ac.uk |
`------------------------------------------------------------------'

On Fri, 18 Oct 2002 michel.cote@umontreal.ca wrote:

> 
> Dear Abinitioners,
> 
> Sorry for the previous email, I press the wrong button...
> 
> I was wondering if anyone has attented to calculate electron-phonon 
> coupling with Abinit.
> 
> Thanks,
> 
> Michel CТtИ
> 
> *************************************************************** 
>   Michel Cote                          tel: +1 (514) 343-5628     
>   Professeur adjoint                   fax: +1 (514) 343-2071               
>   DИpartement de physique
>   UniversitИ de MontrИal
>   C.P. 6128, succ. Centre-ville
>   MontrИal (QuИbec) H3C 3J7          Michel.Cote@umontreal.ca
>   Canada              http://carbone.pmc.umontreal.ca/~michel
> ***************************************************************
>