Multiwfn forum / Failer to generate the BCP path

Re: Failer to generate the BCP path

dummy@example.com (sobereva) — Mon, 11 Aug 2025 15:22:49 +0000

If your purpose is generating path from BCP, you should select option "8 Generating the paths connecting (3,-3) and (3,-1) CPs" rather than "9 Generating the paths connecting (3,+1) and (3,+3) CPs", the former doesn't need (3,+3).

Failer to generate the BCP path

dummy@example.com (Rudzani#2003) — Mon, 11 Aug 2025 10:39:10 +0000

When I am following the procedure of topology Analysis, Multiwfn shows that it can not locate (3,+3) CP. How can I resolve this issue so that it can locate them, and what can I be doing wrong which is leading to this error?