Firefly and PC GAMESS-related discussion club

Learn how to ask questions correctly  
We are NATO-free zone

Re: LANL1MB basis set

Thomas Pijper

Dear Masoud,

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

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,

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

>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


[ Previous ] [ Next ] [ Index ]           Mon Oct 31 '16 11:32am
[ Reply ] [ Edit ] [ Delete ]           This message read 110 times