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AdityaRoy-1996 / Phonopy_VESTA

Export Eigenvectors from Phonopy format to VESTA
GNU General Public License v3.0
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Error with the line 149 #1

Closed iowachem closed 11 months ago

iowachem commented 2 years ago

image Hey, I am getting the following error when I tries to run the code. can you you kindly help me to overcome this issue?

thanks

AdityaRoy-1996 commented 2 years ago

image Hey, I am getting the following error when I tries to run the code. can you you kindly help me to overcome this issue?

thanks

Can you share your input files?

iowachem commented 2 years ago

Hey, Thank you very much for your response. I figured out the issue, It was something that was wrong with my poscar file.

By the way, Do you have any .py script that can calculation the ramn / IR intensities based on the phonopy vectors?

On Tue, Jun 21, 2022 at 4:01 AM Aditya @.***> wrote:

[image: image] https://user-images.githubusercontent.com/107906512/174718003-ed9907bf-51d2-4bb9-babd-19b66491fbba.png Hey, I am getting the following error when I tries to run the code. can you you kindly help me to overcome this issue?

thanks

Can you share your input files?

— Reply to this email directly, view it on GitHub https://github.com/AdityaRoy-1996/Phonopy_VESTA/issues/1#issuecomment-1161466289, or unsubscribe https://github.com/notifications/unsubscribe-auth/AZXILUBWDE2SSHXJ6HZVP3LVQGAGBANCNFSM5ZK6RKKQ . You are receiving this because you authored the thread.Message ID: @.***>

AdityaRoy-1996 commented 2 years ago

Hey, Thank you very much for your response. I figured out the issue, It was something that was wrong with my poscar file. By the way, Do you have any .py script that can calculation the ramn / IR intensities based on the phonopy vectors? … On Tue, Jun 21, 2022 at 4:01 AM Aditya @.> wrote: [image: image] https://user-images.githubusercontent.com/107906512/174718003-ed9907bf-51d2-4bb9-babd-19b66491fbba.png Hey, I am getting the following error when I tries to run the code. can you you kindly help me to overcome this issue? thanks Can you share your input files? — Reply to this email directly, view it on GitHub <#1 (comment)>, or unsubscribe https://github.com/notifications/unsubscribe-auth/AZXILUBWDE2SSHXJ6HZVP3LVQGAGBANCNFSM5ZK6RKKQ . You are receiving this because you authored the thread.Message ID: @.>

Hey, I use Phonopy Spectroscopy for that!

https://github.com/JMSkelton/Phonopy-Spectroscopy