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    #1 2019-12-09 11:23:17

    rania zaier
    Member
    Registered: 2019-12-09
    Posts: 2

    transition density matrix (TDM)

    Hello Tian Lu,
    please in need help to generate TDM plot.

    however, while proceeding the steps:
    .fch>18>2, then i found inputfile cannot found, try again!
    can you help me please!

    thank you for your time.
    Rania

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    #2 2019-12-09 13:41:53

    sobereva
    Tian Lu (Multiwfn developer)
    From: Beijing
    Registered: 2017-09-11
    Posts: 1,468
    Website

    Re: transition density matrix (TDM)

    I have successfully used Multiwfn 3.7(dev) based on the files you sent to me in ResearchGate to plot the TDM map, all outputted information has attached:

    output.txt

    As you can see, Multiwfn works normally. Please carefully compare your output to my output.

    Best regards,

    Tian

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    #3 2019-12-10 18:56:55

    rania zaier
    Member
    Registered: 2019-12-09
    Posts: 2

    Re: transition density matrix (TDM)

    hello,
    finally i get the TDM plot, it was a problem with the old version of WFN software i think.
    thank you so much for your help.
    best regards.
    Rania

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