> > 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 -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20120212/fae7f151/attachment.htm
