Projecting small basis with ECP?


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Hello,

I would like to get the initial energy using ""CRENBS ECP" and then use those movecs for the guess with the basis ""LANL2DZ ECP"....is that possible?

Thanks

Forum Vet
Why do you want to project from a large core ECP to a small core ECP? This is not going to be good starting point for the SCF

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Quote:Edoapra Feb 11th 11:32 am
Why do you want to project from a large core ECP to a small core ECP? This is not going to be good starting point for the SCF


I'm having troubles getting the LANL2DZ to converge.

Forum Vet
You might want to post your input file so that we can try to help you


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