[Pw_forum] How to distinguish phonon modes?

Kyeong-hyun Park kpark39 at illinois.edu
Mon Dec 2 03:28:15 CET 2013


Dear all,

Hi, this question might have been asked already. Please direct me to the
previous post if you know of any similar issue discussed already. I tried
to find, but I couldn't.

After the phonon dispersion calculation, I get the 'si.freq' and 'si.freq.gp
'
I was able to plot along different directions, but how would I extract a
specific phonon mode (for example, LA or TA1) from the frequency data file.
I need to use only one mode of frequencies to do my calculation. Please
help.

Thank you in advance,
Kyeong Park
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