Projecting small basis with ECP?
Click here for full thread
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.