polarization

[fighting-mochi]

Hi @BingqingCheng ,
thanks for the nice work!

I have been trying to understand this paper http://arxiv.org/abs/2504.05169 . Could you clarify the difference between the "polarization" that you used to calculate born effective charge (as shown in eq (7) and (9)) and eq (13)? Is the difference merely one being dipole moment and one being polarization? (I am mainly puzzled why you need to calculate polarization based on the predicted born effective charge (eq (13)), if the polarization is already calculated for the prediction of born effective charge.)

Thank you very much!

[BingqingCheng]

Sorry I really don't understand your question.

…

On Mon, Jul 14, 2025 at 1:13 PM fighting-mochi ***@***.***> wrote: *fighting-mochi* created an issue (BingqingCheng/cace#24) <#24> Hi @BingqingCheng <https://github.com/BingqingCheng> , thanks for the nice work! I have been trying to understand this paper http://arxiv.org/abs/2504.05169 . Could you clarify the difference between the "polarization" that you used to calculate born effective charge (as shown in eq (7) and (9)) and eq (13)? Is the difference merely one being dipole moment and one being polarization? (I am mainly puzzled why you need to calculate polarization based on the predicted born effective charge (eq (13)), if the polarization is already calculated for the prediction of born effective charge.) Thank you very much! — Reply to this email directly, view it on GitHub <#24>, or unsubscribe <https://github.com/notifications/unsubscribe-auth/ABX4HLHH6TBQ2FG5KOQB4E33IQFNRAVCNFSM6AAAAACBQALE3GVHI2DSMVQWIX3LMV43ASLTON2WKOZTGIZDSOJRGE4DMOI> . You are receiving this because you were mentioned.Message ID: ***@***.***>