[Pw_forum] How to get the phonon frequency logarithmic average

[陳 少華]

Dear Paolo,

I had compiled lambda.x from pwtools/lambda.f90  for
calculating the "phonon frequency logarithmic averag"
and alpha^2F(omega).
I tried to write down its input file refer to
lambda.f90 as below

  ! INPUT from standard input:
  !    emax  degaussq  ngaussq
  !    nks
  !    q(1,1)    q(2,1)    q(3,1)    wk(1)
  !      ...       ...       ...      ...
  !    q(1,nks)  q(2,nks)  q(3,nks)  wk(nks)
  !    filelph(1)
  !     ...
  !    filelph(nks)
  !
  ! emax (THz)    : alpha2F is plotted from 0 to
"emax" in "nex" steps
  ! degaussq (THz): gaussian smearing for sum over q
  !                 NB: not the same used in phonon !
  ! ngaussq       : 0 for simple gaussian, 1 for
Methfessel-Paxton etc.
  ! nks           : number of q-points used in the sum
  ! q, wk         : q-points and weights
  ! filelph       : output files from phonon, one for
each q-point
  !                 May contain "nsig" calculations
done with different
  !                 broadenings for the sum over k -
all of them are used
  !
  ! OUTPUT in xmgr-readable format: files 'lambda.dat'
and 'alpha2F.dat'
  !

The only part I don't get it is "filelph" .
It say "output files from phonon" ,what does it mean ?
*.ph.out (produced by ph.x) or others ?

Best Regards
max
Physics Department,National Taiwan University,Taiwan
--- Paolo Giannozzi <giannozz at nest.sns.it> 說：

> 
> On Aug 13, 2007, at 3:42 , clie wrote:
> 
> > recently, i use pwscf to caliculate
> electron-phonon couple constance,
> > but i want to get Tc and i need  the phonon
> frequency logarithmic
> > average. Could you tell me how to get the value?
> 
> pwtools/lambda.f90 should calculate it.
> Unfortunately it has
> never been updated to read the new file formats
> produced
> by the electron-phonon calculation, so it will
> require some
> work
> 
> Paolo
> ---
> Paolo Giannozzi, Democritos and University of Udine,
> Italy
> 
> 
> _______________________________________________
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> Pw_forum at pwscf.org
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> 



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