[Pw_forum] Non-orthogonal modes with dynmat.x at gamma point

Suza W suza.rri at gmail.com
Wed Sep 3 15:13:16 CEST 2014


    Hai All,


     flvec is for the output file for normalized phonon displacements which
are not orthogonal,

     &

     fleig   is for the  output file for phonon eigenvectors which are
orthogonal but not normalized.


     Would it not be more useful for the real displacements of atoms,
     if one prints  "fldisp" too,  which would be for
     the output file for  phonon eigenvectors which are both normalized and
orthogonal, i.e.
     orthonormal ?

     Sorry, for this quick question.  I hope, here, I am not missing
something.

     Yours sincerely,
     Suza W.
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