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

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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.

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


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