[DFTB-Plus-User] DFTB phonon modes and dielectric constant tensor

[Alejandro Trejo Banos]

Greetings:
Due to some technical difficulties, I was unable to respond to Joshimar Vimal's question directly; however, if he sees this, you could use phonopy; there is a recipe in here
https://dftbplus-recipes.readthedocs.io/en/latest/properties/phonopy.html

hope it helps

Additionally, I have a question in this regard for developers and users: Is there a way to calculate the dielectric tensor? I am performing calculations on binary semiconductors, and to incorporate the LO-TO splitting in phonopy, the tensor is needed alongside the Born charges. I have already calculated the Born charges,  but I am still trying to find a way to calculate the dielectric tensor. Thank you in advance for your time and assistance in this matter your expertise is highly valued


Best regards
Dr. Alejandro Trejo Baños
Instituto Politécnico Nacional
ESIME-Culhuacan
Av. Santa Ana 1000 col. San Francisco Culhuacan
México Distrito Federal
Del. Coyoacan
Tel 56242000 ext. 73032

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