Re: ESP calculation using total density cube file

dummy@example.com (sobereva) — Wed, 06 Sep 2023 15:14:38 +0000

Multiwfn doesn't support calculating ESP for periodic system. You have to use own capability of FHI-aims (I am not familiar with this code).

ESP calculation using total density cube file

dummy@example.com (Jyoti Bharti) — Mon, 04 Sep 2023 13:40:52 +0000

I have calculated total density cube file using FHI - aims for my periodic system.
Now I want to calculate ESP and visualize it . Can I use Multiwfn for this and if Yes how is this possible?

Thanks in Advance .

Multiwfn forum / ESP calculation using total density cube file

Re: ESP calculation using total density cube file

ESP calculation using total density cube file