Multiwfn forum / FLU reference parameter

Re: FLU reference parameter

dummy@example.com (sobereva) — Sat, 11 Jul 2026 03:53:54 +0000

You just need to load a wavefunction file containing orbitals of excited state into Multiwfn. If it is T1, usually it is suggest using the wavefunction produced by UKS calculation.

Re: FLU reference parameter

dummy@example.com (Hamid) — Fri, 10 Jul 2026 13:43:55 +0000

how can calculated FLU index for excited state (triplet)?

Re: FLU reference parameter

dummy@example.com (Hamid) — Thu, 09 Jul 2026 13:15:48 +0000

thanks

Re: FLU reference parameter

dummy@example.com (sobereva) — Tue, 07 Jul 2026 22:04:42 +0000

Hamid wrote:

how can calculate EDDB index by Multiwfn?

Multiwfn doesn't support it, but may support it in the future (not near future)

Re: FLU reference parameter

dummy@example.com (Hamid) — Tue, 07 Jul 2026 18:29:03 +0000

how can calculate EDDB index by Multiwfn?

Re: FLU reference parameter

dummy@example.com (Hamid) — Thu, 11 Jan 2024 12:57:34 +0000

Thanks a lot.

Re: FLU reference parameter

dummy@example.com (sobereva) — Thu, 11 Jan 2024 04:33:46 +0000

There is no C-P bond reference parameter available.
Note that FLU-pi doesn't require reference parameter, if the region of interest is planar, you may use FLU-pi instead.

FLU reference parameter

dummy@example.com (Hamid) — Wed, 10 Jan 2024 16:43:25 +0000

What is the FLU reference parameter for C-P bond?