17 February 2020 0 9K Report

Hi,

I have basic knowledge of group theory and could probably figure this out myself with hard work. but instead of reinventing the wheel, I figure I'd ask you smart, wonderful people first!

I'd like to be able to determine the irreps for a phonon mode an arbitrary wavevector so that I can determine which modes have the same symmetry, etc. For example, if I have the eigenvectors and know the space group of my crystal, are there any tools or straightforward instructions to do this? For the zone-center this seems straightforward and PHONOPY will even output this information. However, I don't know of any tools to provide similar info away from the zone center. I know of ISOTROPY, but I don't know how to use it and I didn't find the documentation helpful. If anyone knows of any useful tutorials or any program related to this topic, I'd be grateful if you shared them!

Thanks in advance!

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