[Pw_forum] orthogonality of phonon eigenvectors?

Suza W suza.rri at gmail.com
Sun Feb 12 12:35:18 CET 2012


> > if you have degenerate eigenvalues, any linear combination of
> eigenvectors
> > in the degenerate subspace is a solution. What you get from numerical
> > diagonalization depends upon the phase of the moon.
>
>    Yes Prof. Giannozzi, in principle, it is true.
   Nevertheless, in practice, phonon code in ABINIT
   always renders these well-arranged eigen displacements
   without  depending much on the phase of the moon.


 ( 0.0   0.0    2.30182985E-05 )
 ( 0.0   0.0    1.65666412E-03 )
 ( 0.0   0.0   -1.75258026E-04 )
 ( 0.0   0.0   -3.12875743E-03 )
 ( 0.0   0.0   -1.75258026E-04 )

 ( 0.0    2.30182985E-05   0.0 )
 ( 0.0    1.65666412E-03   0.0 )
 ( 0.0   -1.75258026E-04   0.0 )
 ( 0.0   -3.12875743E-03   0.0 )
 ( 0.0   -1.75258026E-04   0.0 )

 (  2.30182985E-05   0.0   0.0 )
 (  1.65666412E-03   0.0   0.0 )
 ( -1.75258026E-04   0.0   0.0 )
 ( -3.12875743E-03   0.0   0.0 )
 ( -1.75258026E-04   0.0   0.0 )

 Thanks and Regards,
 Suza
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