[molpro-user] cc-pwCV5Z-DK basis sets for Al-Ar: MOLPRO 2010.1 basis set library error

Andy May MayAJ1 at cardiff.ac.uk
Wed May 18 22:00:46 BST 2011


This problem is now fixed in the updated source code tarball, 
molpro.2010.1.21.tar.gz. New binary versions of Molpro will be made shortly.

Best wishes,


On 11/05/11 21:07, Victor G. Solomonik wrote:
> Dear Molpro developers,
> it seems, the MOLPRO 2010.1 basis set library of the second-row
> (Al-Ar) atom cc-pwCV5Z-DK (and aug-cc-pwCV5Z-DK) basis sets is in
> error:
> The d, f, g, h polarization functions of the corresponding
> cc-pwCV5Z (aug-cc-pwCV5Z) basis sets are absent;
> There are errors in the p-type basis set representation.

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