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Re: How to get double numerical basis set with polarization (DNP) in FIREFLY...

Thomas Pijper
thomaspijper@hotmail.com


Dear Siddheshwar,

Numerical basis sets are not supported by Firefly. You can only use basis sets composed of Gaussian-type orbitals.


Kind regards,
Thom


On Fri Sep 16 '16 2:03pm, Siddheshwar Chopra wrote
--------------------------------------------------
>Dear Users,
>I want to use double numerical basis set with polarization (DNP) in FIREFLY. Could anyone tell me is it available in FIREFLY? Is it the GBASIS=DZV - "double zeta valence" basis set mentioned in the manual?

>Please help.

>Kind Regards,


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