Multiwfn forum

Multiwfn official website: //www.umsyar.com/multiwfn. Multiwfn forum in Chinese: http://bbs.keinsci.com/wfn

You are not logged in.

#1Multiwfn and wavefunction analysis»on Fukui functions-hirshfeld charge»2024-11-18 15:26:56

sedsil
Replies: 1

Dear Professor,

I want to calculate the Fukui indexes by using Multiwfn. I have independently calculated N.wfn, N-1.wfn, and N+1.wfn from Multiwfn using Gaussian software. When opening the multiwfn software, which one is the first input file? Secondly, I want to use the files "N.wfn, N-1.wfn, and N+1.wfn" that I have obtained separately from the multiwfn, which is not interactive with the gaussian software. How can I do ?
Could you tell me the necessary steps?
Your Sincerely,
Sedsil

Board footer

Powered byFluxBB

Baidu
map