[molpro-user] ANO-RCC basis set in Molpro

[Peterson, Kirk]

Dear Rudraditya,

except for the lighter elements, for the most part these basis sets are not included yet in the Molpro library.  Hence your best approach is to just get them from the EMSL BSE (https://bse.pnl.gov/bse/portal) and include this directly in your basis set block.

best regards,

-Kirk


On Oct 28, 2014, at 4:36 AM, rudraditya sarkar <rudra.smgr at gmail.com<mailto:rudra.smgr at gmail.com>> wrote:

Dear molpro user,

Can any one show me how to use ANO-RCC basis set for an atom as a molpro input, particularly I need an input file where ANO-RCC basis set is used.

Thanks in advance.
Rudraditya.

--
Rudraditya Sarkar(JRF Fellow)
C/O Prof.Susanta Mahapatra
School Of Chemistry,University Of Hyderabad
Gachibowli-500046
Ph.No.+919959272807
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