[molpro-user] cc-pwCV5Z-DK basis sets for Al-Ar: MOLPRO 2010.1 basis set library error
Victor G. Solomonik
sol at isuct.ru
Wed May 11 21:07:55 BST 2011
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.
--
Best regards,
Victor Solomonik
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