bas geobas build error message while running a calculation using ZORA feature


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Forum Regular
9:20:00 AM PDT - Tue, Jun 30th 2015
Your problem is that you have specified a basis set for iridium that is designed for a pseudo-potential but have not included a pseudo-potential in your input. If you want to use cc-pVDZ-pp then you need to add

ecp
Ir library cc-pVDZ-pp
end

to your input. Otherwise you need to select an all-electron basis set for iridium.

Best,
Sean