Molcas Forum
Support and discussions for Molcas and OpenMolcas users and developers
You are not logged in.
- Topics: Active | Unanswered
Announcement
Welcome to the Molcas forum.
You can choose an avatar and change the default style by going to "Profile" → "Personality" or "Display".
Pages: 1
#1 2018-10-09 20:19:26
- filippo_m
- Member
- Registered: 2016-12-08
- Posts: 2
Visualization of Natural Orbitals
Hello,
I write to ask if it is possible to generate a grid file of the natural orbitals (stored in UnaOrb) from UHF calculation that can be visualized with GV.
Thanks for the kind help.
Offline
#2 2018-10-09 20:43:03
- Ignacio
- Administrator
- From: Uppsala
- Registered: 2015-11-03
- Posts: 1,204
Re: Visualization of Natural Orbitals
Doesn't it work with grid_it as with any other orbital file (FileOrb keyword)?
You can also use Pegamoid.
Offline
Pages: 1
Last refresh: Today 21:19:37