Molcas 6.4 with Stuttgart RSC Segmented/ECP basis set


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Posted by Pawel Wielgus on August 14, 2006 at 14:55:34:

Dear MOLCASers,

How to use Stuttgart ECP's with Molcas ? On EMSL webpage these ECP's are not given for Molcas at all. I have them only in format of Gaussian, Gamess and Molpro. What should I do ? I took a look in $MOLCAS/basis_library but it is still not clear for me how to do this...

Regards

pawel wielgus


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