Multiwfn forum

exlonk

Member

Registered: 2024-02-26

Posts: 1

?How can I export all the orbitals to cube?

Dear Multiwfn team,

I hope this message finds you well,

I want to know if there is a way to export all the orbitals of a molecule to .cub files at once, and not individually.

Best wishes

sobereva

Tian Lu (Multiwfn developer)

From: Beijing

Registered: 2017-09-11

Posts: 2,011

Website

Re: ?How can I export all the orbitals to cube?

You can use subfunction 3 in main function 200 of Multiwfn to export cube file(s) for specific range of orbitals, it is extremely convenient.