QuantumATK Forum
QuantumATK => General Questions and Answers => Topic started by: Shahzad Khan on March 20, 2015, 16:33
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Can ATK produce bond population? As in Gaussian03 we can calculate it via NBO analysis, giving particular bond has particular electronic population. If it than how?
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At the present stage, the estimation of bond population via NBO analysis isn't available. Alternatively, the Mulliken population is implemented to analyze the charges of atoms in a specific bond.