problem with task scf


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Forum Vet
Very expensive calculation
Lovika,
Since you are trying to run a very expensive calculation, it will take a very long time to get any output.
I strongly suggest you to replace the All-electron WTBS basis set you are using with an ECP basis set as in the example below.

Cheers, Edo


basis spherical
* library Def2-TZVP
end

ecp
* library Def2-ecp
end
driver