Visualization of orbitals produced by SODFT calculation

24 views

Skip to first unread message

Researcher Joe

unread,

Oct 29, 2025, 8:09:37 PM10/29/25

to NWChem Forum

Does anyone know if it is possible to visualize (for example, by producing .cube files) molecular orbitals produced by SODFT calculation? And if so, then how?

Thank you in advance.

Miro

unread,

Nov 20, 2025, 5:12:12 PM11/20/25

to NWChem Forum

I am also interested in this feature - visualizing relativistic molecular orbitals from nwchem.

Reply all

Reply to author

Forward

0 new messages