QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: 395235863 on July 10, 2016, 14:27

Title: DD DM in the log file
Post by: 395235863 on July 10, 2016, 14:27

what are the meanings of DD & DM in the log file Thank you!

Title: Re: DD DM in the log file
Post by: Anders Blom 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).