Multiwfn forum

gopendra

Member

Registered: 2024-09-07

Posts: 1

Missing bond critical point between Cu atom and Hydrogen

The bond critical point is missing between the heavy Cu atom and hydrogen after changing several parameters. What can be reason and how to solve to get desired BCP (3,-1)?

sobereva

Tian Lu (Multiwfn developer)

From: Beijing

Registered: 2017-09-11

Posts: 1,830

Website

Re: Missing bond critical point between Cu atom and Hydrogen

I cannot comment without more information. Perhaps there is no BCP at all.

Please also check "What should I do if some CPs of electron density were not successfully located?" in Section 4.2.1 of Multiwfn manual.