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Re: LANL1MB basis set

Thomas Pijper
thomaspijper@hotmail.com


Dear Masoud,

I do not have the set. However, I believe this set is described in the following paper:

http://dx.doi.org/10.1063/1.448799

You should be able to convert the PP and valence basis set to the Firefly's format without any problems (when in doubt, have a look at how PPs and basis sets in Firefly are defined).


Kind regards,
Thom


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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