[Pw_forum] Could you kindly suggest any reference showing Grimme term doesn't affect Born Effective Charges?

Yin Li liyincumt at gmail.com
Wed May 25 11:55:53 CEST 2016

Dear Prof. Giannozzi and QE Community,

I have consulted you about IR spectra calculation when the vDW correction
term is involved before. Here are the threads.

Now I am writing an article about my calculation. I would like to find some
references to support this point that

the Grimme term does not affect the effective charges

Could you give me any suggestion for reference?

Thanks a lot!

Best Regards,

Dr. Yin Li
Department of Biophysics,Medical School, University of Pecs,
No.12 Szigeti Street, Pecs, H-7624, HUNGARY
Phone: +36-72-535271/36271
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