Multiwfn forum
Multiwfn official website: http://sobereva.com/multiwfn. Multiwfn forum in Chinese: http://bbs.keinsci.com/wfn
You are not logged in.
- Topics: Active | Unanswered
#1 2026-01-09 08:50:47
- sid
- Member
- Registered: 2026-01-09
- Posts: 1
electron-hole visualization
Hi,
I am new to the Multiwfn software and saw this on the Orca forum recently. I would like to ask one question regarding hole-electron analysis. I was able to generate hole and electron cubes using the software. The problem is when I load this to visualization software like GaussView, Avagadro, or ChimeraX, there is only one color for the hole/electron, I don't see any blue-red combinations for the two phases. Is there any way to visualize the electron and hole cubes with the orbital phase difference?
Regards
Sid
Offline
#2 2026-01-11 22:50:57
Re: electron-hole visualization
Dear Sid,
Cube files of hole and electron are exported separatedly by the hole-electron analysis module of Multiwfn. You should load both of them into VMD, and make them visible as isosurface style, but with different colors (e.g. green for electron and blue for hole).
Best,
Tian
Offline