If you have a version of NBO, you can link it into NWChem and use it. See http://nwchemgit.github.io/index.php/Release61:Interface#NBO for more details.
Alternatively, you can generate an NBO file with the properties module, which you can read in with your NBO version. See http://nwchemgit.github.io/index.php/Release61:Properties for details.
Thanks,
Bert
Quote:Aggelos.avramopoulos Oct 3rd 9:42 amDear NWCHEM users,
I want to make a NBO and bond orsre analysis by using NWCHEM.
Is this possible? If yes how?
The best.
Aggelos |