ccCA or CBS

From NWChem

Viewed 2529 times, With a total of 2 Posts
Jump to: navigation, search

Clicked A Few Times
Threads 5
Posts 15
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

  • Bert Forum:Admin, Forum:Mod, NWChemDeveloper, bureaucrat, sysop
    Profile
    Send PM
Forum Vet
Threads 4
Posts 597
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
Threads 5
Posts 15
Dear Bert

Many thanks for your help.

Sincerely Yours
Masoud
SUT


Forum >> NWChem's corner >> General Topics



Who's here now Members 0 Guests 1 Bots/Crawler 0


AWC's: 2.5.10 MediaWiki - Stand Alone Forum Extension
Forum theme style by: AWC