[SIESTA-L] Negative Phonon Frequency

Wed, 15 Sep 2010 20:56:49 -0700 

Hello Everyone

I'm currently using VIBRA package to calculate phonon dispersion
relationship of graphene. But the results showed negative phonon
frequencies. Also I found the "graf" examples given by VIBRA also generated
negative phonon frequency of graphene. How can I solve this problem?

The attached files are my input .fdf files for SIESTA and Vibrator, and the
figure of the results.

Thanks.

Attachment: 1LayerGra-siesta.fdf
Description: application/vnd.fdf

Attachment: FC.fdf
Description: application/vnd.fdf

<<attachment: phonon.jpg>>

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