[Pw_forum] Three questions about phonon calculation
yhho at pub.iams.sinica.edu.tw
Wed Jun 1 09:58:49 CEST 2011
I have some questions about Phonon calculation.
1. If I use ph.x to run the graphene phonon dispersion and pdos,
should I use the q points which is multiple of 6 because of the hexagonal shape of grathpene crystal?
2. When I run phonon-dispersion calculation, it always cost very long cpu time. Is that normal?
3. Can QE calculate vibration mode?
How could I set terms in ph.in to get vibration mode?
And how could I plot the vibration mode from the output file?
Thanks a lot.
Yu Han Ho
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