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    #2 Multiwfn and wavefunction analysis About using multiwfn with Jaguar software 2020-06-30 01:51:45

    KuhyunJung
    Replies: 2

    Dear all,

    I have problem in creating a wfn file using not gaussian software but jaguar software.
    So, refer to Jaguar manual, I add the [ip177=2] to the input and as a result, I was able to get an aimpac file.
    Since then, I am having a problem to obtain EDDM by utilizing aimpac file.

    If you have ever used multiwfn using jaguar, I would appreciate it if you could help me.

    Thank for your effort.

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