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#1 Re: Multiwfn and wavefunction analysis » unreasonable charge for CHELPG » 2021-10-26 12:09:57
I had wrong diffined gaupath, cubegenpath & formchkpath in setting.ini.
Now I declared them properly and get the write results!!
Sorry for this mistake.
Your program is really great!!
Maxi
#2 Multiwfn and wavefunction analysis » unreasonable charge for CHELPG » 2021-10-22 16:46:10
- mburgos
- Replies: 2
Dear Prof Tian
I am a new user of Multiwfn.
When running excercise 4.7.1 (CHELPG charges with ClF3.wfn file I get the following output:
For excercise 4.7.7, using dopamine.fchk obtained with g16 I also get unreasonable charges:
I have Multiwfn installed on Ubuntu 16.04.7 LTS
Any help will be really appreciated.
Maxi
Pages: 1