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    Multiwfn official website: http://www.shanxitv.org/multiwfn. Multiwfn forum in Chinese: http://bbs.keinsci.com/wfn. E-mail of admin: sobereva[at]sina.com

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    #1 2021-07-03 13:53:56

    Diae
    Member
    Registered: 2021-07-03
    Posts: 1

    convert chk to fchk file

    Hello every one.
    I need to convert chk to fchk file for plotting  TDM card
    I want also to know if multiwfn accepts the .LOG file or just .log and .out as input files.
    King regards.

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    #2 2021-07-04 01:02:10

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

    Re: convert chk to fchk file

    You can use formchk utility in Gaussian package to convert chk to fch/fchk. See beginning of chapter 4 of Multiwfn manual for detail.

    In the examples in Multiwfn manual, when .out is used as input file, you can also use .log or .LOG.

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