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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)?
You could try with https://github.com/felixplasser/molpy
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