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    #1 2022-03-19 08:09:29

    Abdullah
    Member
    Registered: 2021-01-28
    Posts: 31

    frequency scaling factor sclZPE for Shermo

    Hi, following this guide http://www.shanxitv.org/391 , we get two correction factors i.e., frequency correction factor and ZPE correction factor. Which one of these should be put in sclZPE for Shermo?

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    #2 2022-03-20 22:08:28

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

    Re: frequency scaling factor sclZPE for Shermo

    You should use the latter one.

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    #3 2022-04-13 23:26:02

    EspenEriksrud
    Member
    From: Trondheim, Norway
    Registered: 2022-04-13
    Posts: 1
    Website

    Re: frequency scaling factor sclZPE for Shermo

    The last one.

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