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