Unfortunately, NPA analysis has not been implemented yet, I'm really too busy in recent years. But I *definitively* will make it supported in Multiwfn in the future.

Best regards,

Tian

I hope you're doing well.

In the past, you have mentioned that NPA will be supported in Multiwfn.

Is that support available yet?  Current software for NPA analysis (e.g. NBO7) takes a horrifically long time for the, admittedly, large systems I am studying.

I'd be more than happy to try out any development NPA function in Multiwfn and return the results to you if that would help.

Thank you.

James Kress
The KressWorks Foundation