[Pw_forum] rotational ASR in nanotube
wugaxp at gmail.com
Wed Aug 25 12:22:12 CEST 2004
Recently I calculated the phonon-dispersion curves for nanotubes, but
I found that at Gamma point, there is always some imaginary phonon
frequencies, even when I applied translational acoustic summing rule
(ASR) on the final force constant matrix. After look up some
reference, a so-called rotational ASR seems to be important in reduce
these unstable frequencies. But What does this rule mean in nanotube?
And how can I apply this rule to the result force constant matrix?
Thank you very much!
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