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ajjackson / ascii-phonons

Blender extensions for illustrations of phonons
GNU General Public License v3.0
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Write coordinates along normal mode #32

Open similt opened 1 year ago

similt commented 1 year ago

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

aronwalsh commented 1 year ago

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

ajjackson commented 1 year ago

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