Firefly and PC GAMESS-related discussion club
Learn how to ask questions correctly
Any experience with cc-pV5Z without h-functions for 2nd row elements?
Does anyone have any experience using cc-pV5Z without h-functions for 2nd row elements? I was thinking about putting together a Firefly basis set library like that.
Apparently GAMESS-US was ignoring the h-functions until release 2013R1 rather than stopping like Firefly. I wonder how do the results compare to the full cc-pV5Z basis set.
Going to check the turkey in the oven...
Thu Nov 28 '13 7:53pm
This message read 594 times