| 3:35:40 PM PDT - Mon, Aug 31st 2015 |
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Dear NWchem experts,
I am trying to do some UHF-based coupled cluster calculations using TCE (CCSD(T) and post-CCSD(T)). It always requires a huge amount of memory. I want ask two questions on reducing the memory demand.
1) Are all 2eorb and 2emet options unavailable for UHF-based CC calculations?
2) Can all parallel I/O options be applied to UHF-based CC calculations?
I am using NWchem 6.5.
Thanks a lot!
YUGE
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