ok, sir, I'll check...thank you sir
Probably there is a 3-center bond. You can check this via multi-center bond order. BCP is unable to reveal delocalized interaction. Mayer bond order is also worth to consider.
this is my input file sir.
Please indicate the theoretical method and basis set you are using.
When I'm trying to analyze Wiberg bond indices of the following BAlGa cluster, it shows this attached result(Red-colored square).
But sir, from this bondpath.png, it seems like there is no such bond b/n 1(Ga) & 3(Al)..but Wiberg bond order analysis shows the bond order b/n 1(Ga) and 3(Al) is 1.458971..... which means it is in b/n double bond and single bond character, but from the image, it does not seem like.
Plz, reply sir. What type of error have I made?