ccCA or CBS
Clicked A Few Times
4:38:22 PM PST - Tue, Jan 18th 2011
Dear NWChem Users

Is the ccCA or CBS method available in NWChem 6.0 ? If it is available, I appreciate in advance if one gives us some guides. Many Thanks


Sincerely Yours
Masoud
SUT

Forum Vet
1:05:10 PM PST - Mon, Jan 24th 2011
We have ccCA available in NWChem but not documented. You should ask Prof. Angela Wilson [akwilson@unt.edu] for any details on input. I believe you can run it by simply setting:

task ccca energy

task ccca optimize

Bert

Clicked A Few Times
2:07:01 AM PST - Tue, Jan 25th 2011
Dear Bert

Many thanks for your help.

Sincerely Yours
Masoud
SUT


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