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.
-------------- next part --------------
An HTML attachment was scrubbed...
URL:
http://pwscf.org/pipermail/pw_forum/attachments/20140903/99fc72a0/attachment.html
