Firefly and PC GAMESS-related discussion club


 
Learn how to ask questions correctly  
 
 
We are NATO-free zone
 



Updated cc-pVxZ basis sets ready for download

Slawomir Janicki
slawomir.janicki@comcast.net


Hi,

Alex posted an update in the Downloads section to the collection of cc-pVxZ basis set libraries. Here is what's new:

- Quintuple zeta basis sets without h- or i-type functions.
- Quadruple zeta basis sets without h- functions.

Both types of basis sets were added for cc-pVxZ, cc-pV(x+d)Z, cc-pCVxZ, and cc-pwCxZ families. The fully diffuse function augmented ("aug-") and trimmed augmented ("month-", "maug-", "+") variants were also added for all basis sets.

x now stands for D, T, Q, (Q-h), 5, and (5-hi).

I also included the full quintuple zeta basis sets as a reference.

Enjoy,
Slawomir


[ Previous ] [ Next ] [ Index ]           Sat Jan 4 '14 6:10pm
[ Reply ] [ Edit ] [ Delete ]           This message read 691 times