[Pw_forum] electron-phonon coupling, nesting, double-delta

[nicvok]

Dear Zimin,

indeed I try to represent the q-resolved spectral function  
\alpha^2F(\nu,q) as eq.(3) in your paper, but
WITHOUT the square of the interaction strength eq.(2). So what remains  
is the q-resolved nesting-function.
Nevertheless, I found your paper quite interesting. How do you  
technically achieved the rigid-band shift? Did you add
the additional 0.05 electrons by setting tot_charge = 0.0500000? How  
do you control the convergence of
the electron-phonon parameter \Lambda or the Eliashberg function with  
respect to the smearing of the
double-delta integral if you are so close to the bandedge? I would  
really appreciate your answers and ideas.

thanks a lot
Nicki

-------------------------------------------------------------
Nicki Frank Hinsche, Dr. rer. nat.
Institute of physics - Theoretical physics,
Martin-Luther-University Halle-Wittenberg,
Von-Seckendorff-Platz 1, Room 1.07
D-06120 Halle/Saale, Germany
Tel.: ++49 345 5525460
-------------------------------------------------------------


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>> Hi Nicki,
>> Let me know if this is what you are trying to do:
>> http://prb.aps.org/abstract/PRB/v88/i18/e184302
>> fzm
>
> -----Message d'origine-----
> De : pw_forum-bounces at pwscf.org [mailto:pw_forum-bounces at pwscf.org]  
> De la part de nicvok
> Envoy? : 27 janvier 2014 13:28
> ? : pw_forum at pwscf.org
> Objet : [Pw_forum] electron-phonon coupling, nesting, double-delta
>
> Dear all,
>
> I am trying to extract the nesting function/double delta X(q,\nu)  
> (sim. to eq.(22)/(A1) in Wierzbowska et al. http://arxiv.org/abs/cond-mat/0504077)
> out of QE503. I would like to have it in the same way as the phonon  
> linewidth g(q,\nu) (gamma(i,n) in matdyn.f90).
> A starting point would be gf(mu,nu,isig) in elphon.f90 and/or  
> phase_space in elphsum_simple in elphon.f90, which should both  
> represent the double delta by using gaussians. However, I am right  
> now puzzled and wondering where I have to search/work for an direct  
> output of the nesting function for arbitrary q?
>
> I would appreciate any hint.
> Nicki

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