[molpro-user] Maximum supported angular momentum in Molpro 2002.6

Lorenzo Lodi l.lodi at ucl.ac.uk
Tue Jul 25 10:28:20 BST 2006

I am doing some test calculation on water with Molpro 2002.6; I am 
testing some large basis set, like the aug-pV7Z availbale on the EMSL 
basis set library. In this basis set there are two "k" basis function on 
oxygen; however, if I include them, molpro stops at the very beginning 
and I get the following criptic error:
I reckon this is because "k" (or higher) functions are not supported by 
the version of molpro I am using.
Can anybody confirm this? I could't find this piece of information in 
the manual.

Lorenzo Lodi

More information about the Molpro-user mailing list