[Pw_forum] How to get the phonon frequency logarithmic average
chen_shao_hua197 at yahoo.com.tw
Tue Oct 2 23:15:35 CEST 2007
I had compiled lambda.x from pwtools/lambda.f90 for
calculating the "phonon frequency logarithmic averag"
I tried to write down its input file refer to
lambda.f90 as below
! INPUT from standard input:
! emax degaussq ngaussq
! q(1,1) q(2,1) q(3,1) wk(1)
! ... ... ... ...
! q(1,nks) q(2,nks) q(3,nks) wk(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
! nks : number of q-points used in the sum
! q, wk : q-points and weights
! filelph : output files from phonon, one for
! 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'
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 ?
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
> by the electron-phonon calculation, so it will
> require some
> Paolo Giannozzi, Democritos and University of Udine,
> Pw_forum mailing list
> Pw_forum at pwscf.org
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