Dear all,
I used the tags in "mesh.conf" file
DIM = 2 2 2
Band = ...............
GROUP_VELOCITY = .TRUE.
and then used the command "phonopy -p --gv mesh.conf"
it gave me the graph of band structure.
Please guide me which tags i should used in mash.conf file and what is the command to determine the group velocity?
Thanks
Siva Kishore Ikkurthi
dear sir,
https://atztogo.github.io/phonopy/group-velocity.html
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Javier Alanis
Create force constants: $ phonopy --fc vasprun.xml
Create mesh.yaml (group velocity): $ phonopy --gv --readfc --mesh 10 10 10
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