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Dear NWCHEM developers.

I have found that in the method Mk-MRCCSD is not possible to use the option 2EORB. Are there any plans to implement such possibility in the next versions, but if not then how to reduce the amount of memory required for Mk-MRCCSD calculations in large bases.

thanks in advance.

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MRCC can be carried out in a trial run of the reference-level-parallelism.
Edited On 6:48:27 AM PST - Sun, Dec 7th 2014 by Xiongyan21

Gets Around
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Posts 86
AO-to-MO ERI 4-index transformation?
Edited On 6:51:05 AM PST - Sun, Dec 7th 2014 by Vladimir

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