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    #1 Multiwfn and wavefunction analysis Fukui functions 2021-04-14 12:16:52

    lnleosala
    Replies: 4

    Hi!

    I am trying to calculate fukui functions for a simple molecule. I followed the steps written in the Multifwn manual and tried to export the data to a .txt file by choosing number 3 from the menu:

    -1 Show isosurface graph
    0 Return to main menu
    1 Save graph of isosurface to file in current folder
    2 Export data to a Gaussian-type cube file in current folder
    3 Export data to output.txt in current folder
    4 Set the value of isosurface to be shown, current:   0.05000
    5 Multiply all grid data by a factor
    6 Divide all grid data by a factor
    7 Add a value to all grid data
    8 Substract a value from all grid data

    And then I got this message:

    Outputting output.txt in current folder...
    Output finished, column 1/2/3/4 correspond to X/Y/Z/value. The coordinate unit is Angstrom, the unit of the calculated function is a.u.

    But when I checked the folder for the .txt file, it is not there. Can someone tell me what could possibly be the issue? Thank you!

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