Apparent bug in MP3 portion of MP4 calculation

From NWChem

You are viewing a single post from the thread title above
Jump to: navigation, search

Click here for full thread
Gets Around
Threads 3
Posts 85
Ok, you appear to not have spent much time thinking about how to use NWChem. CCSD(T) and CCSDT are different methods. If you want to compare NWChem CCSD(T) against GAMESS CCSD(T), you need to run CCSD(T), not CCSDT.

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

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