[DFTB-Plus-User] Output Dipole Moment
Bálint Aradi
aradi at uni-bremen.de
Mon Feb 13 14:46:47 CET 2023
Dear Frank,
the dipole moment is given in detailed.out (and also on standard output)
for inspection, and in md.out & results.tag for processing it by scripts.
Best regards,
Bálint
On 08.02.23 21:30, MD Simulation wrote:
> Hello,
>
> Is it possible to output to a file the total dipole moment (gas phase
> and periodic cases)?
>
> I don't see anything in the manual.
>
> Thanks,
> Frank
>
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--
Dr. Bálint Aradi
Bremen Center for Computational Materials Science, University of Bremen
http://www.bccms.uni-bremen.de/cms/people/b-aradi/
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