Multiwfn forum

Daidai

Member

Registered: 2026-07-08

Posts: 2

TDM with nm as the unit

I followed the instructions in the manual to genearate the TDM heat map as shown in page 767.

Is this possible to change the unit of atom # into lenghth unit such as nm? THANK YOU!

sobereva

Tian Lu (Multiwfn developer)

From: Athens, Greece

Registered: 2017-09-11

Posts: 2,282

Website

Re: TDM with nm as the unit

It is impossible. TDM exhibits coherence contribution between atoms, in principle the axis cannot be wavelength.

sobereva

Tian Lu (Multiwfn developer)

From: Athens, Greece

Registered: 2017-09-11

Posts: 2,282

Website

Re: TDM with nm as the unit

Multiwfn doesn't support TDM of this form.