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Dear Prof. Tian Lu,
How can I perform this analysis using Multiwfn software?
Last edited by Mrfahim061 (2024-07-30 18:03:46)
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You can use hole-electron analysis in Multiwfn, see Section 3.21.1 of Multiwfn manual for introduction and Section 4.18.1 for example.
Thank you very much for your response.