[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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