[Pw_forum] Phonon eigenvector normalization

[Paolo Giannozzi]

Please see my messages of dec 13

P.
On Jan 5, 2013, at 24:59 , Jiseok Kim wrote:

> I am trying to calculate the electron-phonon scattering rate in k- 
> space using the phonon eigenvalues and eigenvectors calculated from  
> matdyn.x.
> So I read the eigenvalues and eigenvectors from the output file  
> (i.e. matdyn.modes) and I check the normalization of the  
> eigenvectors at a given phonon wavevector q and phonon mode /eta by  
> summing the square of absolute value of eigenvectors over all the  
> atoms.
>
> When I calculate the electron-phonon interaction, I use the  
> polarization vector which is conventionally denoted as 'e^{\alpha}_ 
> {q,\eta}' for an atom \alpha at a given q and mode \eta.
>
> Here I wonder if I can use the phonon eigenvectors directly  
> calculated from 'matdyn.x' as my polarization vector  'e^{\alpha}_ 
> {q,\eta}'.
> Or do I have to re-normalize the eigenvectors by multiplying masses  
> somehow?
>
> Thank you.
>
> JISEOK KIM, Ph.D.
> Postdoctoral Research Associate
> Department of Materials Science and Engineering
> University of Texas at Dallas
> 800 W. Campbell Rd. RL10
> Richardson, TX 75080
> (413)386-6285
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---
Paolo Giannozzi, Dept of Chemistry&Physics&Environment,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222