Firefly and PC GAMESS-related discussion club


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



Re: C-type auxiliary basis sets for Dunning's basis sets?

Alex Granovsky
gran@classic.chem.msu.su


Dear Michal,

These basis sets can be found in EMSL Basis Set Exchange Library.
You can find them attached to this post, already in the proper format.
Please let us know how they works for you. If they do, I'll put them
into Firefly's download area.

Hope this helps.

Best regards,
Alex Granovsky



On Tue May 29 '18 12:03pm, Michal Krompiec wrote
------------------------------------------------
>Hi, where can I find auxiliary basis sets (for RI-XMCQDPT2) to be used with Dunning's correlation consistent bais sets? Will this work: https://github.com/susilehtola/erkale/blob/master/basis/aug-cc-pVTZ-JK.gbs ?
>Best,
>Michal

This message contains the 194 kb attachment
[ cc-pvxz-ri.rar ] A collection of cc-pvxz-ri and aux- cc-pvxz-ri basis sets for RI-MP2 and RI-XMCQDPT2


[ Previous ] [ Next ] [ Index ]           Wed May 30 '18 9:36pm
[ Reply ] [ Edit ] [ Delete ]           This message read 400 times