The ABINIT Users Mailing List ( CLOSED )

[Michel Cote <Michel.Cote@umontreal.ca>]

These numbers are the character of the degenerate modes to help you  
figure out the irreducible representation of a given set of degenerate  
modes. Now, if you think your system should have only 6 symmetry  
classes and Abinit gives you 12, it seem that the you do not agree on  
the symmetry of the system.

Have a look at the output file to make sure the reported space group  
is what you think. Please include your output file if you want more  
help.

Michel

Le 08-04-15 à 13:01, Bo Qiu a écrit :

> As a supplement to my question:
> The point group of the crystal I'm calculating is D_{3d}^5 , so I  
> look at the character table, there are only 6 columns, so I'm just  
> confused why there are 12 columns? What do they mean? Thanks so much!
>
>
> Sincerely,
> Bo

_____________________________________
Michel Cote
Departement de physique
Universite de Montreal
email: Michel.Cote@umontreal.ca
web: http://www.phys.umontreal.ca/~michel_cote