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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: 407

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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