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Re: LANL1MB basis set

olgerdovich
olgerdovich@yandex.ru


Are you sure that you need exactly LANL1MB for Ir? There is no such basis set in EMSL database (https://bse.pnl.gov/bse/portal). There does this basis set come from?

On Sat Oct 29 '16 12:24pm, Masoud Nahali wrote
----------------------------------------------
>Hi

>I am lokking for LANL1MB basis set for "Ir" atom which is smaller than LANL2DZ and proper for my purpose. I couldn't find the Firefly format of this basis set. Is there anyone who has the basis set or something very similar to it. Many Thanks

>Masoud Nahali
>Sharif University of Technology

>


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