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Author Topic: DD DM in the log file  (Read 1864 times)

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Offline 395235863

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DD DM in the log file
« on: July 10, 2016, 14:27 »
what are the meanings of DD & DM in the log file Thank you!
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Offline Anders Blom

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Re: DD DM in the log file
« Reply #1 on: July 10, 2016, 14:30 »
DM is the atomic Mulliken population (roughly speaking the number of electrons on the atom, although it should not be taken too literally).
DD is the difference of this compared to the isolated atom (so, the net charge).
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