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#1 2023-01-27 11:32:10

F.M.
Member
Registered: 2023-01-27
Posts: 1

Rassi-Dyson orbitals

Dear All,
I am interested in using the option DYSExport in RASSI calculations from OpenMolcas. However, when I ran the calculation, I didn't understand where these orbitals are exported and how. Can someone give a hint?
Moreover: How to get them in Molden format?

Thanks in advance for your help.

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#2 2023-01-27 13:05:27

Ignacio
Administrator
From: Uppsala
Registered: 2015-11-03
Posts: 1,003

Re: Rassi-Dyson orbitals

I guess the files end up in $WorkDir, and you'll have to salvage them from there. They're already in Molden format as far as I can see.

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