Modified Virtual Orbitals

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jvi...@gmail.com

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Jun 7, 2022, 3:41:28 PMJun 7
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Dear Dirac Experts,

I did run .MVO run in DIRAC19.
It computed some new virtual orbital energies and ended normally.

But where are the new Modified Virtual Orbitals stored, please?
In DFPCMO? In DFCOEF? In some completely different file?

I would expect that to be also noted in the web documentation.

I am asking in particular because, previously I worked with MP2NO and the ordinary version of DIRAC19 did not print MP2NO either to DFCOEF or DFPCMO (as was suggested here), my colleagues had to look into the code and then made the program write them to a different file.

Best regards,
Jakub


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