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TURBOMOLE Modules => Molecular Properties, Wavefunction Analysis, and Interfaces to Visualization Tools => Topic started by: max_sam on December 02, 2021, 04:59:06 PM

Title: QTAIM for periodic calculations
Post by: max_sam on December 02, 2021, 04:59:06 PM

Good day! I have a question:
In the case of periodic calculations is it possible to perform QTAIM analysis for intermolecular interactions? (Default one works only for intramolecular)

Thanks in advance!