[DFTB-Plus-User] References about the calculation including external point charges

Yu, Tao tao.yu.1 at und.edu
Thu Sep 24 17:48:59 CEST 2020


Hi,

I am looking for references which decribled the detailed algorithm for the calculation with external point charges. Also, need some guide to find the which subroutine in the souce code to do this type of calculations.

Thanks,

Tao
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