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TURBOMOLE Modules => Define => Topic started by: evgeniy on June 01, 2017, 01:46:39 PM

Title: No cc-pVDZ-PP auxiliary basis for Iridium
Post by: evgeniy on June 01, 2017, 01:46:39 PM

Hello,

I was surprised that for Iridium (Ir) there is no cc-pVDZ-PP auxiliary basis, whereas there is the
(larger) cc-pVTZ-PP one. I am curious what is the reason of the absence of the cc-pVDZ-PP?

Regards,
Evgeniy