[Pw_forum] whether PWSCF can calculte the transport spectral function

[Malgorzata Wierzbowska]

On Sun, 27 Aug 2006, Steven Dixon wrote:

> Dear all:
> I am a new user of PWSCF. I write my questions as follows:
> In the PHYSICAL REVIEW B, VOLUME 57, NUMBER 18  11276, it introduce the
> electron-phonon intreaction spectral function of superconductor and the transport
> spectral function, and it said the efficiency factor is the only difference between
> these two functions. I know that PWSCF can calculte the electron-phonon intreaction
> spectral function, I want to know whether PWSCF can calculte the transport
> spectral function.
>
> Steven Dixon
>

   No pwscf does not compute transport a2F. In order to do this you may
compare equations 4,5, 8 and 9 from the paper you cite. Then you can modify
the code in file PH/elphon.f90, subroutine elphsum.
You grep on "la2F" and you go to the place where the phonon
linewidth "gamma" is calculated (around line 600).
Gamma is given as a function of the mode "nu" and the broadening "isig".

Since the efficiency factor depends both on mode and on k-point,
you have to start your changes where gamma depends
on k, in objects: gf, ctemp, noint, g3.

Do you use option la2F=.true., or you do it in older fashion?

Please let me know whether you see what needs to be done.
If not I will change this part.

  Have fun,
   Gosia



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