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Write coordinates along normal mode #32

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similt opened this issue Aug 25, 2022 · 2 comments

similt commented Aug 25, 2022

When we displace the system along a normal mode, how to write the new coordinates in POSCAR format?

aronwalsh commented Aug 25, 2022

@similt I suggest https://github.com/JMSkelton/ModeMap for that purpose.

Owner

ajjackson commented Sep 5, 2022

Right, if you can produce input to ascii-phonons then presumably you already have a way of generating displaced structures! (Probably Phonopy...)

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