<![CDATA[Multiwfn forum / Missing bond critical point between Cu atom and Hydrogen]]> http://sobereva.com/wfnbbs/viewtopic.php?id=1527 Sun, 08 Sep 2024 03:36:52 +0000 FluxBB <![CDATA[Re: Missing bond critical point between Cu atom and Hydrogen]]> http://sobereva.com/wfnbbs/viewtopic.php?pid=4591#p4591 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.

]]> Sun, 08 Sep 2024 03:36:52 +0000 http://sobereva.com/wfnbbs/viewtopic.php?pid=4591#p4591 <![CDATA[Missing bond critical point between Cu atom and Hydrogen]]> http://sobereva.com/wfnbbs/viewtopic.php?pid=4590#p4590 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)?

]]> Sat, 07 Sep 2024 06:37:40 +0000 http://sobereva.com/wfnbbs/viewtopic.php?pid=4590#p4590