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Re: Fukui function

dummy@example.com (taha55) — Thu, 01 Dec 2022 13:29:47 +0000

Dear Professor
Thank you very much

Re: Fukui function

dummy@example.com (sobereva) — Thu, 01 Dec 2022 12:59:52 +0000

That function has been moved to main function 22 in latest version.

Fukui function

dummy@example.com (taha55) — Thu, 01 Dec 2022 11:05:49 +0000

Dear Professor

When calculating fukui(as section 4.22.1 in manuel) , in the current version(3.8), there are no 7, 10 and 16 options after the 100 command as below. Can you fix it?
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Boot up Multiwfn and input below commands:
examples\phenol.xyz
100 // Other functions (Part 1)
16 // Calculate various quantities in conceptual density functional theory
1 // Generate .wfn files for N, N+1, N-1 electrons states
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Best Regards