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#1 2021-08-31 14:38:25
- saber
- Member
- Registered: 2020-06-03
- Posts: 15
Multiwfn input file
Hello
Is there any way or tool to convert a Gaussian output file (the log file) to a multiwfn input file format such as wfn, wfx...etc?
i lost may Gaussian chk file and can not find any file in scratch folder!!
Last edited by saber (2021-08-31 15:00:10)
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#2 2021-09-01 08:29:30
Re: Multiwfn input file
Unfortunately, it is impossible, because output file doesn't contain enough information to directly convert to wavefunction format.
Just conduct a single point calculation, it doesn't take too much time.
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#3 2021-09-02 12:21:49
- saber
- Member
- Registered: 2020-06-03
- Posts: 15
Re: Multiwfn input file
worked
Many thanks Tian
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