[molpro-user] basis sets

cong.wang cong.wang at helsinki.fi
Wed Feb 10 21:32:11 GMT 2010


Dear kumar,

  You can try this website
http://bases.turbo-forum.com/TURBOMOLE_BASISSET_LIBRARY/tbl.html

  There is molpro format also

Best regards
Cong Wang
Ph. D. Student

Department of Chemistry
Laboratory for Instruction in Swedish
University of Helsinki
A.I. Virtanens plats 1
P.O. Box 55
FI-00014 University of Helsinki
FINLAND

On Wed, Feb 10, 2010 at 5:35 PM, mahesh kumar <maheshr08 at yahoo.com> wrote:
> Dear Molpro users,
>
> I would like to use a def2-TZVP basis set for Be, Mg, Zn with its corresponding density fitting basis in Molpro which not included in the Molpro basis set library. Presently I am using molpro 2009.1 version binary code. I would appreciate any help in this regard.
>
> Regards
> Mahesh
>
>
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