What are the necessary steps to calculate the phonon properties using VASP?

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Anji Babu Kapakayala

Hi Sekaran,

Please follow the this link to more details about phonon calculations.

https://www.researchgate.net/post/How_can_I_perform_phonon_calculations_from_DFT_in_VASP

hope it will help you

Cheers !!!!

Anji Babu

Dongho-Nguimdo Gm

check this http://phonopy.sourceforge.net/procedure.html#tutorial

hope you will find it useful.

Dongho

Jaiganesh Gnana Sekaran

Thanks for Anji Babu and Dongho Nguimdo.

Jaiganesh

Rasoul Kh

Hello everyone,

Phonon calculations (Phonon Band Structures, Phonon DOS, and thermal properties) in materials science using VASP and phonopy are explained on the Youtube Channel. Please find the link below:

https://bit.ly/2UtvbHE

https://www.youtube.com/watch?v=FX7WjL074g4

Best regards,

Rasoul Khaledialidusti