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Re: WBI analysis is not matching

dummy@example.com (Pratik7320) — Sun, 21 Mar 2021 05:19:02 +0000

ok, sir, I'll check...thank you sir

Re: WBI analysis is not matching

dummy@example.com (sobereva) — Sat, 20 Mar 2021 19:42:04 +0000

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.

Re: WBI analysis is not matching

dummy@example.com (Pratik7320) — Sat, 20 Mar 2021 18:50:01 +0000

this is my input file sir.

Re: WBI analysis is not matching

dummy@example.com (sobereva) — Thu, 18 Mar 2021 08:30:05 +0000

Please indicate the theoretical method and basis set you are using.

WBI analysis is not matching

dummy@example.com (Pratik7320) — Thu, 18 Mar 2021 05:30:23 +0000

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?