On Oct 4, 2010, at 3:07 PM, Bipul Rakshit wrote: > Dear PWSCF users, > > I am doing Phonon of KO2 compound. I find some -ve phonon modes at gamma > point. (After applying ASR also) > Following is the dynamical matrix formed by the phonon programme during the > run. > I just want to study the displacement corresponding to -ve modes. So Is it > enough to plot the eigen vectors given below corresponding to each mode. > Strange things what I feel in these eigen vectors are the 'K' is also moving > almost with the same magnitude as 'O'
Not so strange for zone-center acoustic modes (their frequency is zero exactly because they correspond to a rigid translation) > and there is no imaginary part of eigen vectors though the frequencies are > -ve. why should there be any? what do you mean by "-ve"? SB --- Stefano Baroni - SISSA & DEMOCRITOS National Simulation Center - Trieste http://stefano.baroni.me [+39] 040 3787 406 (tel) -528 (fax) / stefanobaroni (skype) La morale est une logique de l'action comme la logique est une morale de la pens?e - Jean Piaget Please, if possible, don't send me MS Word or PowerPoint attachments Why? See: http://www.gnu.org/philosophy/no-word-attachments.html -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20101005/a31206af/attachment.htm
