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    #1 Re: Multiwfn and wavefunction analysis Reading .gbw file from QM/XTB calculation (ORCA) 2025-02-26 09:32:13

    Thanks for your reply. I just did that locally and no input file is made when I do the conversion.

    #2 Multiwfn and wavefunction analysis Reading .gbw file from QM/XTB calculation (ORCA) 2025-02-25 17:59:55

    electrogeek
    Replies: 2

    Hi all,

    I have recently been performing QM/XTB calculations using ORCA 6. I would like to probe the QM region using MultiWFN to get some information. For previous calculations, I was able to read the .gbw file and perform the analysis. However, when doing the QM/XTB calculations, I go to open the .gbw file using MultiWFN, but the software seems to crash and shut itself down.

    Is there a way of opening .gbw files generated from QM/XTB calculations?

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