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Write coordinates along normal mode

Open similt opened this issue 2 years ago • 2 comments

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

similt avatar Aug 25 '22 06:08 similt

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

aronwalsh avatar Aug 25 '22 06:08 aronwalsh

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

ajjackson avatar Sep 05 '22 15:09 ajjackson