Dear all,
I am trying to learn Born Effecitve Charge calculations, when I was reading linear_response.F, I found there are two subroutines, i.e. LRF_MAIN and LR_MAIN both can give Born Effective Charges. I am just wondering what is the main physical difference between these two subroutines? And if they are different, which one is more accurate (in principle and in practice)?
Thank you!
Two subroutines to calculate Born Effective Charges
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Re: Two subroutines to calculate Born Effective Charges
Dear admin, I thought the authors may give some comments on it. Thanks.
Best Regards,
Wenhua
Best Regards,
Wenhua