Projecting small basis with ECP?

Clicked A Few Times

6:06:21 AM PST - Sun, Feb 10th 2019
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

12:32:30 PM PST - Mon, Feb 11th 2019
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

Clicked A Few Times

2:19:39 PM PST - Mon, Feb 11th 2019
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

11:35:03 AM PST - Tue, Feb 12th 2019
You might want to post your input file so that we can try to help you

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