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#1 2021-09-15 17:08:41

stanistr
Member
Registered: 2021-05-12
Posts: 3

Obtaining Molden from SOOrb files produced in RASSI(using SONORB)?

Hi all,

I was wondering if anyone knows of an easy way to obtain Molden files from .SOOrb files obtained from a SPINORBIT RASSI calculation. I'm able to view the orbitals by doing a GRID_IT step and visualising the orbitals in LUSCUS or looking at cube files, but I specifically want a Molden file to do further analysis.

Any help/advice on converting .SOOrb to Molden, I'd really appreciate it!

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#2 2021-09-16 11:09:54

Ignacio
Administrator
From: Uppsala
Registered: 2015-11-03
Posts: 811

Re: Obtaining Molden from SOOrb files produced in RASSI(using SONORB)?

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