Skip to Content.
Sympa Menu

forum - [abinit-forum] Question about output for symmetry characters

forum@abinit.org

Subject: The ABINIT Users Mailing List ( CLOSED )

List archive

[abinit-forum] Question about output for symmetry characters


Chronological Thread 
  • From: "Bo Qiu" <200210qb@gmail.com>
  • To: forum@abinit.org
  • Subject: [abinit-forum] Question about output for symmetry characters
  • Date: Tue, 15 Apr 2008 11:58:22 -0500
  • Domainkey-signature: a=rsa-sha1; c=nofws; d=gmail.com; s=gamma; h=message-id:date:from:to:subject:mime-version:content-type; b=ZxE0svFzkO6cluh5HH+I74n7epwMbfVh8NKJWMkJe0dkwBPeKmNMX8Sy6YpEQZb8v0+LJcP8EYuZ7Xc2kHMTP2314SlZ5B7PedwVpFzQnQJwuB/k0uq4W5nZuj0KZMyziARGNwwRdd1bwdsGGuPm181gePNRejsTJA5wc+aepPE=

Dear users and developlers,

I'm doing phonon calculations and got the output of phonon mode eigenfrequencies and corresponding eigenvectors (eivec 1). From the output, I got list of eigenfrequencies and corresponding eigenvectors, however, I don't really understand the format of the following output for "Analysis of degeneracies and characters":

Symmetry characters of vibration mode #   1
       degenerate with vibration modes #   2 to    3
  3.0 -3.0  1.0 -1.0  0.0  0.0  1.0 -1.0  0.0  0.0  1.0 -1.0
 Symmetry characters of vibration mode #   4
        degenerate with vibration mode #   5
  2.0  2.0  0.0  0.0 -1.0 -1.0  0.0  0.0 -1.0 -1.0  0.0  0.0
 Symmetry characters of vibration mode #   6
  1.0  1.0  1.0  1.0  1.0  1.0  1.0  1.0  1.0  1.0  1.0  1.0
 Symmetry characters of vibration mode #   7
        degenerate with vibration mode #   8
  2.0 -2.0  0.0  0.0 -1.0  1.0  0.0  0.0 -1.0  1.0  0.0  0.0
..
..

Could you please tell me what are the quantities those 12 columns for each mode correspond to ?  Thanks a lot!

Sincerely,
Bo


  • [abinit-forum] Question about output for symmetry characters, Bo Qiu, 04/15/2008

Archive powered by MHonArc 2.6.16.

Top of Page