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#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.
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#2 2018-10-09 20:43:03
- Ignacio
- Administrator
- From: Uppsala
- Registered: 2015-11-03
- Posts: 1,088
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.
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