Multiwfn forum

Raja@Chem

Member

Registered: 2022-12-21

Posts: 7

Heatmap

Dear Professor,

I am having trouble generating a heatmap for my 46-atom(including H atoms) molecule using Multiwfn.

The plot automatically cuts off the axes at atom 32, but I need to see the data up to atom 46.

Could you please advise on the correct procedure or setting within Multiwfn to adjust the atom range displayed on the heatmap?

Thank you for your time and assistance.

Thank you,

Dr. K. Raja

sobereva

Tian Lu (Multiwfn developer)

From: Athens, Greece

Registered: 2017-09-11

Posts: 2,115

Website

Re: Heatmap

Hello,

By default Multiwfn only shows non-hydrogens on the map, because hydrogens do not participate in excitations of common interest. You can also enable showing hydrogens by corresponding option in the interface.