Motra: number of orbitals


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Posted by Boris Le Guennic on February 19, 2008 at 11:39:52:

Hi,

It seems that there is no clear infos on the maximum number of orbitals Motra can deal with.
From our experience, it seems that it's around 350.
Does anyone has infos about this?
Actually, we are working more and more often on systems with more than 350 AOs.
Is there a way to increase this number (let say, to 500, for instance).
Thank you very much in advance

Boris Le Guennic


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