dipole moment calculation for smearing condition

Chanwoo Noh eric... at gmail.com
Mon Nov 28 06:00:02 CET 2016

Dear Matt W

Thanks for your comment.

As you said, the definition of dipole moment in charged system seems to be 
As I know, the IR intensities are estimated by calculating the dipole 
moments derivatives of normal modes. (
Then, is it impossible to calculate IR vibration intensities in charged 

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