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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: 1,203
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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