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ability to colour bands based on eigendisplacements in phonon-bandplot #86

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badw opened this issue Nov 19, 2019 · 1 comment
Open

ability to colour bands based on eigendisplacements in phonon-bandplot #86

badw opened this issue Nov 19, 2019 · 1 comment
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enhancement New feature or request

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@badw
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badw commented Nov 19, 2019

'twould be nice to have the ability to incorporate the --project function into sumo-phonon-bandplot to see which atom types contribute to which modes.

Having had a brief discussion with A.J.J it seems that there is the eigvec_to_eigdispl function under pymatgen.io.phonopy which converts the 'eigenvectors' to 'eigendisplacements' and would give the information needed for this.
I have been successful in getting the eigdispl but my skillz are lacking when it comes to actually projecting this onto the dispersion-curves...

...If that changes I will let you know!

cheers!
@badw badw added the enhancement New feature or request label Nov 19, 2019
@utf
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utf commented Jan 27, 2022

@badw I know you have a code that can do this. Any interest in combining it into sumo?

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