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Wurtzite phonon disp./ discontinuity in Gamma-A direction

From: Marcel Mohr <marcel@physik.tu-berlin.de>
To: forum@abinit.org
Subject: Wurtzite phonon disp./ discontinuity in Gamma-A direction
Date: Mon, 7 May 2007 15:06:31 +0200 (CEST)

Dear abiniteros

the calculated phonon dispersion of GaN shows some kind of discontinuity in the Gamma-A direction for 2 optical modes.
The section is plotted here: (and in the attachment)
http://www.physik.tu-berlin.de/~marcel/tmp/disp_1.jpg

Evreything else looks fine, but these 2 differ by approx 4 cm^-1.

Any hints would be appreciated. (also keywords to search for)

Best regards

Marcel Mohr

Attachment: disp_1.jpg
Description: JPEG image

Re: [abinit-forum] ÄúºÃ£¡, Xavier Gonze, 05/07/2007
- Wurtzite phonon disp./ discontinuity in Gamma-A direction, Marcel Mohr, 05/07/2007
  - Re: [abinit-forum] Wurtzite phonon disp./ discontinuity in Gamma-A direction, Matthieu Verstraete, 05/07/2007
  - Re: [abinit-forum] Wurtzite phonon disp./ discontinuity in Gamma-A direction, Aldo Humberto Romero, 05/07/2007
    - Re: [abinit-forum] Wurtzite phonon disp./ discontinuity in Gamma-A direction, Marcel Mohr, 05/07/2007
      - Re: [abinit-forum] Wurtzite phonon disp./ discontinuity in Gamma-A direction, Aldo Humberto Romero, 05/07/2007
        
        Re: [abinit-forum] Wurtzite phonon disp./ discontinuity in Gamma-A direction, Marcel Mohr, 05/07/2007
        
        Re: [abinit-forum] Wurtzite phonon disp./ discontinuity in Gamma-A direction, Xavier Gonze, 05/07/2007
  - Re: [abinit-forum] Wurtzite phonon disp./ discontinuity in Gamma-A direction, Resul Eryigit, 05/07/2007