• Multiwfn forum

    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

    You are not logged in.

    #1 2022-10-05 23:47:06

    natanluiz86
    Member
    Registered: 2022-10-05
    Posts: 2

    I can't create fragments for MO-DOS

    I'm trying to plot MO-DOS graphs from various systems and every time I try to create fragments the program crashes. I did all the instructions in the installation manual and even then I can't create the fragments on both linux and windows


    Whats-App-Image-2022-10-05-at-20-43-05.jpg

    Whats-App-Image-2022-10-05-at-20-39-31.jpg

    Offline

    #2 2022-10-06 02:10:31

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

    Re: I can't create fragments for MO-DOS

    Which input file did you use? Please show me more information.

    Offline

    #3 2022-10-06 21:29:23

    natanluiz86
    Member
    Registered: 2022-10-05
    Posts: 2

    Re: I can't create fragments for MO-DOS

    I'm using gaussian 09 .log files with the keywords B3LYP/GEN gfinput iop(6/7=3) pop=full scf=(maxcycle=200,conver=6)

    Offline

    #4 2022-10-06 23:45:04

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

    Re: I can't create fragments for MO-DOS

    Please use .fch file instead currently, in next release I will fix it

    Offline

    Board footer

    Powered by FluxBB

    久久精品国产99久久香蕉